smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(CCCC[C@@H](O)CCc2ccc(O)c(O)c2)cc1O ZINC000013377927 201893666 /nfs/dbraw/zinc/89/36/66/201893666.db2.gz KCWHZHZEQUHBCW-OAHLLOKOSA-N 0 0 332.396 3.216 10 10 biogenic EGCERN Nc1ccc(COCC(=O)Nc2ccccc2Br)cc1 ZINC000019967335 212091942 /nfs/dbraw/zinc/09/19/42/212091942.db2.gz WGFCSQFNDLXWPU-UHFFFAOYSA-N 0 0 335.201 3.187 10 10 EGCERN COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000005824137 277050950 /nfs/dbraw/zinc/05/09/50/277050950.db2.gz KSIFCLGHKPHRCR-IZZDOVSWSA-N 0 0 326.179 3.296 10 10 EGCERN CC(C)C(=O)c1ccc([C@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000239869303 455262771 /nfs/dbraw/zinc/26/27/71/455262771.db2.gz CYAUGAJMAFPIBR-ZDUSSCGKSA-N 0 0 341.407 3.356 10 10 EGCERN Oc1ccccc1[C@@H](Nn1cnnc1)c1ccc(Br)cc1 ZINC000000041786 452495420 /nfs/dbraw/zinc/49/54/20/452495420.db2.gz KCNBZPANJAGBSX-HNNXBMFYSA-N 0 0 345.200 3.079 10 10 EGCERN CSC1=NSC2=NC(=O)/C(=C\c3ccc(SC)cc3)C(=N)N12 ZINC000000214080 452537751 /nfs/dbraw/zinc/53/77/51/452537751.db2.gz ZRPKFTOEHHMZFF-DDADGOEASA-N 0 0 348.478 3.348 10 10 EGCERN Nc1cc(N)cc(C(=O)OCc2nc3cc4ccccc4cc3[nH]2)c1 ZINC000000301719 452557563 /nfs/dbraw/zinc/55/75/63/452557563.db2.gz XAQOBAGCWTYWFZ-UHFFFAOYSA-N 0 0 332.363 3.238 10 10 EGCERN CC(=O)O[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1c1cc(C)ccc1O ZINC000000481538 452606506 /nfs/dbraw/zinc/60/65/06/452606506.db2.gz BJIJSSPSGFSVOC-QUCCMNQESA-N 0 0 339.391 3.106 10 10 EGCERN Nc1c(Cl)c(Br)cc2c1C(=O)c1ccccc1C2=O ZINC000004321043 452799910 /nfs/dbraw/zinc/79/99/10/452799910.db2.gz LDCVPFHVLBRZNP-UHFFFAOYSA-N 0 0 336.572 3.460 10 10 EGCERN COCCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1 ZINC000006877888 453001833 /nfs/dbraw/zinc/00/18/33/453001833.db2.gz ZKPIFZHSTKWYIT-UHFFFAOYSA-N 0 0 326.440 3.431 10 10 EGCERN COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(C)=O ZINC000019855459 453660073 /nfs/dbraw/zinc/66/00/73/453660073.db2.gz PGYWVMVERACQQB-UHFFFAOYSA-N 0 0 336.395 3.024 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3C)CC2)cc1 ZINC000043421579 454061440 /nfs/dbraw/zinc/06/14/40/454061440.db2.gz AVGVYSPVGAFVAZ-UHFFFAOYSA-N 0 0 343.402 3.497 10 10 EGCERN Oc1ccccc1CN(Cc1nnnn1C1CC1)C1CCCCC1 ZINC000069350922 454097322 /nfs/dbraw/zinc/09/73/22/454097322.db2.gz WEGUTJFWFCURTL-UHFFFAOYSA-N 0 0 327.432 3.049 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(-c3cccnc3)nc2)cc1 ZINC000065177900 454535812 /nfs/dbraw/zinc/53/58/12/454535812.db2.gz FMGFAISZSIYQBM-UHFFFAOYSA-N 0 0 332.407 3.140 10 10 EGCERN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c(O)c1O ZINC000177676251 454891190 /nfs/dbraw/zinc/89/11/90/454891190.db2.gz IELDMROHZJHNCL-BBRMVZONSA-N 0 0 327.380 3.008 10 10 EGCERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000177684902 454891892 /nfs/dbraw/zinc/89/18/92/454891892.db2.gz FKULXMGMNHBNNT-GOSISDBHSA-N 0 0 349.438 3.259 10 10 EGCERN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180434164 455168748 /nfs/dbraw/zinc/16/87/48/455168748.db2.gz RSMBGRDXLQDGFG-CABCVRRESA-N 0 0 345.892 3.142 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000183451142 455294805 /nfs/dbraw/zinc/29/48/05/455294805.db2.gz CZCNVZUHFOYETH-WCFLWFBJSA-N 0 0 347.361 3.227 10 10 EGCERN CCc1cnc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000174227198 455371831 /nfs/dbraw/zinc/37/18/31/455371831.db2.gz FPQBAEUZHNRAHW-UHFFFAOYSA-N 0 0 346.456 3.068 10 10 EGCERN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000193022197 455735851 /nfs/dbraw/zinc/73/58/51/455735851.db2.gz DCADCNZHTNNAGE-ZJUUUORDSA-N 0 0 346.258 3.153 10 10 EGCERN CO[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000293481648 455787659 /nfs/dbraw/zinc/78/76/59/455787659.db2.gz VPFAISOCPGPDEG-JENIJYKNSA-N 0 0 347.455 3.105 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1nnn(C(C)C)c1C ZINC000294569028 455820575 /nfs/dbraw/zinc/82/05/75/455820575.db2.gz GGPMPQBDHFAWBE-UHFFFAOYSA-N 0 0 330.432 3.316 10 10 EGCERN CN(C)c1ccc(/C=C/C=c2sc3nc4ccccc4n3c2=O)cc1 ZINC000252617592 455823591 /nfs/dbraw/zinc/82/35/91/455823591.db2.gz KWQJZYFOXOSVDT-GCWVPVCYSA-N 0 0 347.443 3.188 10 10 EGCERN COc1cc(CCO)ccc1NCc1cc(Cl)c(F)cc1O ZINC000294733061 455824608 /nfs/dbraw/zinc/82/46/08/455824608.db2.gz QDNCSZNDNNQVPA-UHFFFAOYSA-N 0 0 325.767 3.340 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000294795517 455828394 /nfs/dbraw/zinc/82/83/94/455828394.db2.gz VOKDXSNKTAVBTG-SDBXPKJASA-N 0 0 341.732 3.320 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000295406956 455847955 /nfs/dbraw/zinc/84/79/55/455847955.db2.gz RGMAVKFJCVJIJC-ZYHUDNBSSA-N 0 0 327.705 3.072 10 10 EGCERN COc1cc(C)cc(NC(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000278870606 455851821 /nfs/dbraw/zinc/85/18/21/455851821.db2.gz HEBQDSPKDYFZJD-UHFFFAOYSA-N 0 0 330.384 3.087 10 10 EGCERN CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(F)cc1[O-] ZINC000287355648 456067237 /nfs/dbraw/zinc/06/72/37/456067237.db2.gz HAYFPXAKLQEWRH-KRWDZBQOSA-N 0 0 345.418 3.004 10 10 EGCERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000302823935 456411224 /nfs/dbraw/zinc/41/12/24/456411224.db2.gz WDBHWHJNXIWNLA-UHFFFAOYSA-N 0 0 349.337 3.322 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000282444957 456515975 /nfs/dbraw/zinc/51/59/75/456515975.db2.gz IIGBPKUCKANKAK-OAHLLOKOSA-N 0 0 327.428 3.364 10 10 EGCERN C[C@@H]1OCCC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000276697359 456554021 /nfs/dbraw/zinc/55/40/21/456554021.db2.gz AOBPXRCLYUJFKS-UONOGXRCSA-N 0 0 336.395 3.150 10 10 EGCERN Cc1ccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000299162487 456623629 /nfs/dbraw/zinc/62/36/29/456623629.db2.gz RTSABUGRWOAKPV-UHFFFAOYSA-N 0 0 344.480 3.094 10 10 EGCERN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cccc(O)c1O ZINC000366169200 457795870 /nfs/dbraw/zinc/79/58/70/457795870.db2.gz HXXXFANZVPDKTG-HNNXBMFYSA-N 0 0 341.411 3.217 10 10 EGCERN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cccc(O)c1O ZINC000366169201 457796141 /nfs/dbraw/zinc/79/61/41/457796141.db2.gz HXXXFANZVPDKTG-OAHLLOKOSA-N 0 0 341.411 3.217 10 10 EGCERN COC(=O)c1cncnc1N1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000367332135 457947557 /nfs/dbraw/zinc/94/75/57/457947557.db2.gz ISMIWZOKVFRVHC-UHFFFAOYSA-N 0 0 348.406 3.347 10 10 EGCERN C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1cccnc1 ZINC000437014138 458422669 /nfs/dbraw/zinc/42/26/69/458422669.db2.gz DCKIIGMMKCFPEP-CQSZACIVSA-N 0 0 325.412 3.067 10 10 EGCERN COc1ccc(CNC(=O)N[C@@H]2CCOc3c(C)cccc32)c(O)c1 ZINC000373388125 458478454 /nfs/dbraw/zinc/47/84/54/458478454.db2.gz YJMIFTWOVKOEAH-MRXNPFEDSA-N 0 0 342.395 3.032 10 10 EGCERN COc1ccc(CNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)c(O)c1 ZINC000529226966 459826185 /nfs/dbraw/zinc/82/61/85/459826185.db2.gz HMADFRLZLYWELR-INIZCTEOSA-N 0 0 349.333 3.117 10 10 EGCERN Cn1cc(C(=O)N2CC3(CC3)c3ccccc32)c(-c2cccnc2)n1 ZINC000606859846 460749734 /nfs/dbraw/zinc/74/97/34/460749734.db2.gz KKLGMEOBKQQJBO-UHFFFAOYSA-N 0 0 330.391 3.174 10 10 EGCERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000730177524 574930579 /nfs/dbraw/zinc/93/05/79/574930579.db2.gz NHQUKIGSFOZUIE-IRXDYDNUSA-N 0 0 342.414 3.320 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000732049231 575233817 /nfs/dbraw/zinc/23/38/17/575233817.db2.gz HNSRUKVLVKZTOI-VSKVDJIOSA-N 0 0 342.351 3.368 10 10 EGCERN COC(=O)/C=C/c1ccc(N(C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000733188988 575318717 /nfs/dbraw/zinc/31/87/17/575318717.db2.gz UUUCDIMKBFERMV-XOVSCCBYSA-N 0 0 341.367 3.373 10 10 EGCERN COc1ccc(O)c(CNC(=O)Nc2cc(OC)c(OC)cc2C)c1 ZINC000734061640 575432620 /nfs/dbraw/zinc/43/26/20/575432620.db2.gz QEHIWBFMNBWMOZ-UHFFFAOYSA-N 0 0 346.383 3.048 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(-c2cccnc2)on1 ZINC000734402086 575480010 /nfs/dbraw/zinc/48/00/10/575480010.db2.gz HACMUXYYKHCKMK-UHFFFAOYSA-N 0 0 336.395 3.041 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCc2ccccc2C1 ZINC000734665440 575534457 /nfs/dbraw/zinc/53/44/57/575534457.db2.gz OHZRYGBSOGCTLY-IBGZPJMESA-N 0 0 337.467 3.418 10 10 EGCERN C[C@@H]1CN(Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)C[C@H](C)O1 ZINC000738544245 576335970 /nfs/dbraw/zinc/33/59/70/576335970.db2.gz XUULIOAYMFCYNF-BETUJISGSA-N 0 0 346.452 3.315 10 10 EGCERN Cc1cn2cc(NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc2n1 ZINC000738919699 576369299 /nfs/dbraw/zinc/36/92/99/576369299.db2.gz JPIHKGBGIIDBOZ-UHFFFAOYSA-N 0 0 341.390 3.170 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000740870876 576632220 /nfs/dbraw/zinc/63/22/20/576632220.db2.gz LASNSSMLOKPEDW-CLFYSBASSA-N 0 0 336.388 3.032 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000742237439 576760535 /nfs/dbraw/zinc/76/05/35/576760535.db2.gz ZPIIXDJUTRUAIE-QFBILLFUSA-N 0 0 326.440 3.293 10 10 EGCERN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(Cl)n1 ZINC000742951924 576798200 /nfs/dbraw/zinc/79/82/00/576798200.db2.gz BBPCDHGIIXZZFJ-UHFFFAOYSA-N 0 0 331.803 3.149 10 10 EGCERN [NH3+]C[C@H]1CCCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708091769 1298234498 /nfs/dbraw/zinc/23/44/98/1298234498.db2.gz XSQVAPQNVRTMII-LLVKDONJSA-N 0 0 333.657 3.121 10 10 EGCERN COc1ccc(NC2=NC(=O)C(=Cc3cccc(O)c3)S2)cc1 ZINC000009117973 1291107901 /nfs/dbraw/zinc/10/79/01/1291107901.db2.gz WBFNZWYWRXCNCS-XNTDXEJSSA-N 0 0 326.377 3.483 10 10 EGCERN COc1ccc(N2CCC(NC(=O)NCCCC3CC3)CC2)cc1 ZINC000077794832 1292484712 /nfs/dbraw/zinc/48/47/12/1292484712.db2.gz GEGXNUCKVJTRNQ-UHFFFAOYSA-N 0 0 331.460 3.153 10 10 EGCERN Cc1csc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000115674835 1293193799 /nfs/dbraw/zinc/19/37/99/1293193799.db2.gz FVBCAEBCSBAAQB-CYBMUJFWSA-N 0 0 332.473 3.386 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000115979955 1293198580 /nfs/dbraw/zinc/19/85/80/1293198580.db2.gz HNZYIETXHADNQP-HUUCEWRRSA-N 0 0 330.378 3.451 10 10 EGCERN CCCCc1noc([C@H](C)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000130457932 1293657140 /nfs/dbraw/zinc/65/71/40/1293657140.db2.gz JDNQNMPHFANILQ-ZDUSSCGKSA-N 0 0 330.432 3.438 10 10 EGCERN Cc1cc(C(=O)NOCc2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000184242483 1295181854 /nfs/dbraw/zinc/18/18/54/1295181854.db2.gz LNHHOQHDGKWFSB-UHFFFAOYSA-N 0 0 339.370 3.490 10 10 EGCERN CO[C@@H]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000188281773 1295448480 /nfs/dbraw/zinc/44/84/80/1295448480.db2.gz VYVHQEBOXLQGAN-SJLPKXTDSA-N 0 0 337.423 3.263 10 10 EGCERN COc1cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c(O)cc1C ZINC000190221015 1295569135 /nfs/dbraw/zinc/56/91/35/1295569135.db2.gz VFPSTYQAXCUAGW-CYBMUJFWSA-N 0 0 330.432 3.001 10 10 EGCERN COc1cc(C)cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1O ZINC000190226612 1295571692 /nfs/dbraw/zinc/57/16/92/1295571692.db2.gz SNHUZNRIIGIIMV-CYBMUJFWSA-N 0 0 330.432 3.001 10 10 EGCERN CSc1nc(C2CC2)nc(C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871199058 1296268637 /nfs/dbraw/zinc/26/86/37/1296268637.db2.gz RWWXHNJNVRTLNI-UHFFFAOYSA-N 0 0 341.436 3.246 10 10 EGCERN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871203762 1296270790 /nfs/dbraw/zinc/27/07/90/1296270790.db2.gz GFPIUWCTIHSTDV-ZBFHGGJFSA-N 0 0 339.391 3.055 10 10 EGCERN CCOc1ccccc1C(F)(F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203001 1296271587 /nfs/dbraw/zinc/27/15/87/1296271587.db2.gz JKQRHVOZPGLNKX-UHFFFAOYSA-N 0 0 333.334 3.425 10 10 EGCERN O=C(C1CC(O)(c2cccc(Cl)c2)C1)N1Cc2cccc(O)c2C1 ZINC000871207981 1296272640 /nfs/dbraw/zinc/27/26/40/1296272640.db2.gz WKNFMSUUEWOUBP-UHFFFAOYSA-N 0 0 343.810 3.186 10 10 EGCERN CC(C)(C)OC(=O)[C@@H](C(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000871205910 1296272946 /nfs/dbraw/zinc/27/29/46/1296272946.db2.gz NQLXOTAYGUEZBJ-OAHLLOKOSA-N 0 0 333.428 3.238 10 10 EGCERN CCN(CC(F)(F)F)C(=O)COc1ccc(N2CCCC2)cc1 ZINC000871736766 1296509581 /nfs/dbraw/zinc/50/95/81/1296509581.db2.gz YFBXDOIMUCZGOO-UHFFFAOYSA-N 0 0 330.350 3.076 10 10 EGCERN C[C@@H]1[C@H]([NH3+])CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708125643 1298235389 /nfs/dbraw/zinc/23/53/89/1298235389.db2.gz WRBZRWNNMNWIOV-PRHODGIISA-N 0 0 333.657 3.120 10 10 EGCERN COc1ccc(N2CCN(Cc3nc(C)c4ccccc4n3)CC2)cc1 ZINC000884442483 1302860782 /nfs/dbraw/zinc/86/07/82/1302860782.db2.gz GKRAAWGKMDAYFB-UHFFFAOYSA-N 0 0 348.450 3.269 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000893909806 1306125857 /nfs/dbraw/zinc/12/58/57/1306125857.db2.gz FRJDDEKMKZRNNM-UHFFFAOYSA-N 0 0 344.365 3.093 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1oc(C(=O)OC)cc1C ZINC000895526440 1309384847 /nfs/dbraw/zinc/38/48/47/1309384847.db2.gz MEJLTIXQBCJDEC-UHFFFAOYSA-N 0 0 344.411 3.103 10 10 EGCERN Oc1cc(Br)ccc1CNC1(c2ncccn2)CCC1 ZINC000895624266 1309434339 /nfs/dbraw/zinc/43/43/39/1309434339.db2.gz ZBXVJGXQOYPLKL-UHFFFAOYSA-N 0 0 334.217 3.114 10 10 EGCERN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846591 1309555199 /nfs/dbraw/zinc/55/51/99/1309555199.db2.gz QRPGSXJMRRBLFW-SMDDNHRTSA-N 0 0 326.234 3.156 10 10 EGCERN COC(=O)[C@@H](Cc1cc2ccccc2o1)NCc1cccc(C)c1O ZINC000895866521 1309570520 /nfs/dbraw/zinc/57/05/20/1309570520.db2.gz XKTIHDDMIITXET-QGZVFWFLSA-N 0 0 339.391 3.321 10 10 EGCERN CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](CC)CO1 ZINC000898273231 1310657258 /nfs/dbraw/zinc/65/72/58/1310657258.db2.gz UEVQGVOXICBJAT-VXGBXAGGSA-N 0 0 335.425 3.342 10 10 EGCERN Cn1cc(NCc2ccc(N3CCOCC3)cc2)c(-c2ccco2)n1 ZINC000858255541 1328723624 /nfs/dbraw/zinc/72/36/24/1328723624.db2.gz TWCQKTGGINLSSQ-UHFFFAOYSA-N 0 0 338.411 3.129 10 10 EGCERN C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1ccc(N(C)C)cc1 ZINC000858369447 1328747353 /nfs/dbraw/zinc/74/73/53/1328747353.db2.gz VDGCVJMJFCXZSQ-XYPHTWIQSA-N 0 0 333.501 3.493 10 10 EGCERN Cc1cc(CNC(=O)N[C@H]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000858398314 1328752588 /nfs/dbraw/zinc/75/25/88/1328752588.db2.gz UGBQTYBPINGXGD-LIRRHRJNSA-N 0 0 341.455 3.318 10 10 EGCERN CCOC(=O)c1sc(NC(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000930069598 1328777836 /nfs/dbraw/zinc/77/78/36/1328777836.db2.gz PSPRLKRDWHRVSE-UHFFFAOYSA-N 0 0 346.408 3.487 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@@H]1CCCOC1 ZINC000858543260 1328792205 /nfs/dbraw/zinc/79/22/05/1328792205.db2.gz HJYIIJSAEBTQDD-SJORKVTESA-N 0 0 347.503 3.108 10 10 EGCERN C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000858590055 1328803340 /nfs/dbraw/zinc/80/33/40/1328803340.db2.gz HYDIEBWKSDYAHR-GFCCVEGCSA-N 0 0 346.418 3.445 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCc2cccc(OC3CC3)c2F)c1 ZINC000858611951 1328810371 /nfs/dbraw/zinc/81/03/71/1328810371.db2.gz PHNVIGAYUCWMQF-UHFFFAOYSA-N 0 0 344.386 3.380 10 10 EGCERN C[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1c(O)cccc1F ZINC000913977975 1319203325 /nfs/dbraw/zinc/20/33/25/1319203325.db2.gz GGZGPOUWWGGYMS-LBPRGKRZSA-N 0 0 332.375 3.057 10 10 EGCERN CCc1onc(C)c1CNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000914254888 1319279194 /nfs/dbraw/zinc/27/91/94/1319279194.db2.gz UHFOJLUTXDCIQK-UHFFFAOYSA-N 0 0 344.459 3.391 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)N3CCC(=O)[C@@H](C)C3)cc2)CC1 ZINC000917523667 1319827957 /nfs/dbraw/zinc/82/79/57/1319827957.db2.gz QPRJAAHATOSRHI-INIZCTEOSA-N 0 0 343.471 3.043 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](c3ccc(O)cc3)C2)cc1OC ZINC000858836640 1328871615 /nfs/dbraw/zinc/87/16/15/1328871615.db2.gz GLTFEDXDPQYCOW-CYBMUJFWSA-N 0 0 344.367 3.312 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@H]3CCCC34CC4)CC2)cc1 ZINC000859096336 1328922589 /nfs/dbraw/zinc/92/25/89/1328922589.db2.gz BVJCDGGFLISISH-GOSISDBHSA-N 0 0 328.456 3.361 10 10 EGCERN CN(C)c1ccc(CNC(=O)COc2cccc(C(F)F)c2)cc1 ZINC000919518347 1322076501 /nfs/dbraw/zinc/07/65/01/1322076501.db2.gz XKZJOMABEIUAQN-UHFFFAOYSA-N 0 0 334.366 3.385 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000930905747 1329002705 /nfs/dbraw/zinc/00/27/05/1329002705.db2.gz OJKKHZWFCSGLMX-MOPGFXCFSA-N 0 0 330.472 3.449 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)/C=C\Cl)C2)cc1 ZINC000923184144 1322706971 /nfs/dbraw/zinc/70/69/71/1322706971.db2.gz AIYXRDKRJRDBFI-XPSMFNQNSA-N 0 0 337.851 3.104 10 10 EGCERN CN(C[C@H](O)COc1c(Cl)cccc1Cl)c1ccc(N)cc1 ZINC000923399544 1322745470 /nfs/dbraw/zinc/74/54/70/1322745470.db2.gz FCTUGYCWEHNJAW-ZDUSSCGKSA-N 0 0 341.238 3.452 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC000925108814 1323285784 /nfs/dbraw/zinc/28/57/84/1323285784.db2.gz KTFUWDJLZBZEDO-PBHICJAKSA-N 0 0 330.359 3.005 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC000925108816 1323285811 /nfs/dbraw/zinc/28/58/11/1323285811.db2.gz KTFUWDJLZBZEDO-WMLDXEAASA-N 0 0 330.359 3.005 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000931436337 1329117466 /nfs/dbraw/zinc/11/74/66/1329117466.db2.gz HNAPUNQCYUPDBO-HYXAFXHYSA-N 0 0 344.392 3.405 10 10 EGCERN C[C@H](NC(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926296311 1325506856 /nfs/dbraw/zinc/50/68/56/1325506856.db2.gz WJSFOLTZEJHMPQ-COPLHBTASA-N 0 0 346.349 3.252 10 10 EGCERN C[C@@H](NC(=O)NCC[C@@H]1OCCc2ccccc21)c1ccccc1O ZINC000927675421 1328100974 /nfs/dbraw/zinc/10/09/74/1328100974.db2.gz XHTGWMLABSPOEA-KUHUBIRLSA-N 0 0 340.423 3.457 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)NCC[C@@H]2CCC3(CCC3)O2)cc1 ZINC000927728327 1328121967 /nfs/dbraw/zinc/12/19/67/1328121967.db2.gz OJJOIOXMXAAJHW-SFHVURJKSA-N 0 0 345.487 3.386 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928272001 1328269328 /nfs/dbraw/zinc/26/93/28/1328269328.db2.gz IOURMZSIYKXURI-SDQPKGBYSA-N 0 0 344.436 3.049 10 10 EGCERN O=C(C[C@H]1CCc2sccc2C1=O)NCc1c(O)cccc1F ZINC000928710269 1328405748 /nfs/dbraw/zinc/40/57/48/1328405748.db2.gz SBZQGCIXJZPLJA-SNVBAGLBSA-N 0 0 333.384 3.044 10 10 EGCERN COc1cnc(F)c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000861584470 1329428225 /nfs/dbraw/zinc/42/82/25/1329428225.db2.gz XEHIFLNQXVLKEH-NSHDSACASA-N 0 0 332.379 3.178 10 10 EGCERN Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862026538 1329455678 /nfs/dbraw/zinc/45/56/78/1329455678.db2.gz RUXUCAJGYCDFRP-UHFFFAOYSA-N 0 0 339.395 3.139 10 10 EGCERN CCc1ccc(CC)c(NC(=O)C(=O)NCc2cc(C)ccc2O)c1 ZINC000862024738 1329455739 /nfs/dbraw/zinc/45/57/39/1329455739.db2.gz CDSIMKGYCJXWCF-UHFFFAOYSA-N 0 0 340.423 3.080 10 10 EGCERN COc1ccc(O)c(CNc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c1 ZINC000862536105 1329493647 /nfs/dbraw/zinc/49/36/47/1329493647.db2.gz DGDSIWPBFIPGQC-LBPRGKRZSA-N 0 0 326.396 3.483 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc3[nH]c(=O)n(C4CC4)c3c2)c1 ZINC000862754465 1329506631 /nfs/dbraw/zinc/50/66/31/1329506631.db2.gz YOHWKSNBICUQMA-UHFFFAOYSA-N 0 0 337.379 3.021 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000865027627 1329662858 /nfs/dbraw/zinc/66/28/58/1329662858.db2.gz XQMQSLGKSRNVLE-RBUKOAKNSA-N 0 0 330.472 3.164 10 10 EGCERN CCN(CC)c1ccc(CNc2ncc3c(n2)CCOC3)cc1F ZINC000865295146 1329684172 /nfs/dbraw/zinc/68/41/72/1329684172.db2.gz ZUWHESFGWIQDLA-UHFFFAOYSA-N 0 0 330.407 3.147 10 10 EGCERN COC(=O)c1cnc(S[C@@H](C(=O)OC(C)(C)C)C2CC2)s1 ZINC000865368856 1329689434 /nfs/dbraw/zinc/68/94/34/1329689434.db2.gz FLJAVBQPOIDDAU-SNVBAGLBSA-N 0 0 329.443 3.142 10 10 EGCERN CN(C)c1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC000865414892 1329693922 /nfs/dbraw/zinc/69/39/22/1329693922.db2.gz IDMNXRMGGSZZLO-UHFFFAOYSA-N 0 0 343.309 3.025 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000866092320 1330064816 /nfs/dbraw/zinc/06/48/16/1330064816.db2.gz IAIGUPQXKFVPLL-SFHVURJKSA-N 0 0 345.487 3.291 10 10 EGCERN C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000866495768 1330118264 /nfs/dbraw/zinc/11/82/64/1330118264.db2.gz HUPIBJLDZRRTFP-SECBINFHSA-N 0 0 339.226 3.028 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2c3ccccc3CN2C)c1 ZINC000866564203 1330127295 /nfs/dbraw/zinc/12/72/95/1330127295.db2.gz SGVXZCOVZRXYQF-ACJLOTCBSA-N 0 0 340.423 3.016 10 10 EGCERN C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866563363 1330127330 /nfs/dbraw/zinc/12/73/30/1330127330.db2.gz LNKOAFXUQTVDMV-SJKOYZFVSA-N 0 0 327.384 3.138 10 10 EGCERN C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(F)cc(F)c1[O-] ZINC000866574434 1330128776 /nfs/dbraw/zinc/12/87/76/1330128776.db2.gz VVIKPXAELZPWAV-LLVKDONJSA-N 0 0 331.366 3.450 10 10 EGCERN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000866634781 1330136388 /nfs/dbraw/zinc/13/63/88/1330136388.db2.gz JACCAXAKFQGFSR-KXUCPTDWSA-N 0 0 334.229 3.494 10 10 EGCERN C[C@H](NC(=O)NCc1cccc2c1OCCCO2)c1ccccc1O ZINC000868422001 1330278699 /nfs/dbraw/zinc/27/86/99/1330278699.db2.gz LPSHJMZSMLWPJD-ZDUSSCGKSA-N 0 0 342.395 3.114 10 10 EGCERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868779400 1330342180 /nfs/dbraw/zinc/34/21/80/1330342180.db2.gz PLSYWKGRDYTMTK-VBNZEHGJSA-N 0 0 326.396 3.317 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCC12CC2 ZINC000868846486 1330359513 /nfs/dbraw/zinc/35/95/13/1330359513.db2.gz HZFGMTWPBLCGGB-ZDUSSCGKSA-N 0 0 339.233 3.287 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)c3cncc(Cl)c3)CC2)cc1 ZINC001325179722 1387910389 /nfs/dbraw/zinc/91/03/89/1387910389.db2.gz JPAVFACMEBOXGH-UHFFFAOYSA-N 0 0 345.830 3.096 10 10 EGCERN CCCn1nccc1NC(=O)CN(CC1CC1)c1ccc(OC)cc1 ZINC001194467971 1368269728 /nfs/dbraw/zinc/26/97/28/1368269728.db2.gz WNDTWGOUFSVRKV-UHFFFAOYSA-N 0 0 342.443 3.157 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OC[C@@H]2COCCO2)c1 ZINC001117851589 1371102025 /nfs/dbraw/zinc/10/20/25/1371102025.db2.gz MDBSTQUUTKNYEH-HNNXBMFYSA-N 0 0 349.814 3.320 10 10 EGCERN CN(Cc1cccs1)c1ccc(C[NH2+][C@H](CCF)C(=O)[O-])cc1 ZINC001119610991 1371374699 /nfs/dbraw/zinc/37/46/99/1371374699.db2.gz ATDQNGRLHRGZKV-MRXNPFEDSA-N 0 0 336.432 3.287 10 10 EGCERN CCn1cc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC001124905487 1372738923 /nfs/dbraw/zinc/73/89/23/1372738923.db2.gz LQIPXHAQIRLMQI-UHFFFAOYSA-N 0 0 346.862 3.427 10 10 EGCERN COc1cc(C)cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC001125534517 1372802478 /nfs/dbraw/zinc/80/24/78/1372802478.db2.gz KHOLTTSGLZTYHP-UHFFFAOYSA-N 0 0 330.403 3.447 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc2ncccc12 ZINC001126004419 1372909129 /nfs/dbraw/zinc/90/91/29/1372909129.db2.gz BBCXVOQNYMTBMU-UHFFFAOYSA-N 0 0 333.435 3.468 10 10 EGCERN C[C@@H](NC(=O)c1ncc2c(F)cccn21)c1ccc(N(C)C)cc1 ZINC001128248122 1373240679 /nfs/dbraw/zinc/24/06/79/1373240679.db2.gz XHVDUBCFVFHRJS-GFCCVEGCSA-N 0 0 326.375 3.030 10 10 EGCERN COc1ncc(/C=C/C(=O)N2CCc3cc(C(C)(C)C)ccc32)cn1 ZINC001128339206 1373254736 /nfs/dbraw/zinc/25/47/36/1373254736.db2.gz DMFJFLNHHHUCNM-VMPITWQZSA-N 0 0 337.423 3.385 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc2c1OCC2 ZINC001129820663 1373426044 /nfs/dbraw/zinc/42/60/44/1373426044.db2.gz XJYSXJOPWVNZIN-HNNXBMFYSA-N 0 0 338.451 3.357 10 10 EGCERN CCc1cccnc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001129974438 1373442011 /nfs/dbraw/zinc/44/20/11/1373442011.db2.gz PHZSWYIMPLEGKR-OAHLLOKOSA-N 0 0 325.456 3.379 10 10 EGCERN CCCCCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001130826900 1373596505 /nfs/dbraw/zinc/59/65/05/1373596505.db2.gz MNRTTXGECCIOFZ-DLBZAZTESA-N 0 0 348.487 3.376 10 10 EGCERN O=C(NCCc1nsc2ccccc21)NCc1c(O)cccc1F ZINC001233710043 1376701150 /nfs/dbraw/zinc/70/11/50/1376701150.db2.gz YZLQQICDSNGDNY-UHFFFAOYSA-N 0 0 345.399 3.183 10 10 EGCERN CO[C@H]1CCN(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001234326648 1376811368 /nfs/dbraw/zinc/81/13/68/1376811368.db2.gz LFUMXTCLGORRKX-IBGZPJMESA-N 0 0 341.455 3.333 10 10 EGCERN CN1CCCc2cc(CNC(=O)C[C@H]3Cc4ccccc4O3)ccc21 ZINC001136436963 1377393008 /nfs/dbraw/zinc/39/30/08/1377393008.db2.gz QYVJWHCMDXBOQJ-GOSISDBHSA-N 0 0 336.435 3.079 10 10 EGCERN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001137145332 1377485159 /nfs/dbraw/zinc/48/51/59/1377485159.db2.gz AJJRXBJNJITVDN-JEOXALJRSA-N 0 0 329.371 3.219 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(cccc3OC)[nH]2)c1 ZINC001137473344 1377554166 /nfs/dbraw/zinc/55/41/66/1377554166.db2.gz GKQYZKCXBVYARW-LLVKDONJSA-N 0 0 340.379 3.382 10 10 EGCERN CCc1cnccc1[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137846013 1377629674 /nfs/dbraw/zinc/62/96/74/1377629674.db2.gz AHBGEAURGXTPFA-LLVKDONJSA-N 0 0 325.372 3.297 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1cnc(SC)[nH]c1=O ZINC001139123775 1377833781 /nfs/dbraw/zinc/83/37/81/1377833781.db2.gz JLNZDEYDASVWPH-UHFFFAOYSA-N 0 0 347.440 3.052 10 10 EGCERN Cc1ccc(CC(=O)NCc2ccc3cccnc3c2O)c(Cl)n1 ZINC001142731260 1378482825 /nfs/dbraw/zinc/48/28/25/1378482825.db2.gz QTPMMWPPXVQGNA-UHFFFAOYSA-N 0 0 341.798 3.156 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCOc3cc(F)c(F)cc32)cc1 ZINC001144582129 1378747928 /nfs/dbraw/zinc/74/79/28/1378747928.db2.gz DTAUMAZGGVFEHE-UHFFFAOYSA-N 0 0 346.293 3.166 10 10 EGCERN CN(C)c1cc(F)cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001144769829 1378770709 /nfs/dbraw/zinc/77/07/09/1378770709.db2.gz SSHGQROPAQFVRD-UHFFFAOYSA-N 0 0 329.335 3.306 10 10 EGCERN Cc1cc(C(=O)N2Cc3ccc(O)cc3C2)c(C)n1-c1ccccn1 ZINC001148029942 1379107083 /nfs/dbraw/zinc/10/70/83/1379107083.db2.gz VMXIBLXSKSOMKP-UHFFFAOYSA-N 0 0 333.391 3.351 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cnc(NC2CC2)s1 ZINC001150376660 1379541259 /nfs/dbraw/zinc/54/12/59/1379541259.db2.gz AFMOVSPRWCEYOJ-UHFFFAOYSA-N 0 0 343.452 3.232 10 10 EGCERN C[C@@H](NC(=O)c1noc(-c2ccc(F)cc2)n1)c1ccccc1O ZINC001151886217 1379810795 /nfs/dbraw/zinc/81/07/95/1379810795.db2.gz ZQONEPIMFPMQCI-SNVBAGLBSA-N 0 0 327.315 3.072 10 10 EGCERN COc1cc(NC(=O)Cc2ccc(O)c(O)c2)cc(OC)c1C(C)C ZINC001152593324 1379955008 /nfs/dbraw/zinc/95/50/08/1379955008.db2.gz YHAZVRCFTLBYOV-UHFFFAOYSA-N 0 0 345.395 3.420 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2OCCCO3)cc1 ZINC001152804102 1379982619 /nfs/dbraw/zinc/98/26/19/1379982619.db2.gz VEWXRUFCDRCTCT-UHFFFAOYSA-N 0 0 340.339 3.263 10 10 EGCERN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)C1=CC(=O)CS1)CCC2 ZINC001328393582 1388736328 /nfs/dbraw/zinc/73/63/28/1388736328.db2.gz OKZZMPQQYDWAFX-ZDUSSCGKSA-N 0 0 345.420 3.090 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N(C)CCCF)CCCC1 ZINC001288990979 1381970154 /nfs/dbraw/zinc/97/01/54/1381970154.db2.gz SIQRQKKOZVMQEN-UHFFFAOYSA-N 0 0 332.419 3.347 10 10 EGCERN CN(C)c1ccc(CN(C(=O)C2(C)COC(C)(C)OC2)C2CC2)cc1 ZINC001290740263 1382106508 /nfs/dbraw/zinc/10/65/08/1382106508.db2.gz SBEPPKXTEJKAOG-UHFFFAOYSA-N 0 0 346.471 3.033 10 10 EGCERN COc1ccc(Cl)cc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001292394610 1382188534 /nfs/dbraw/zinc/18/85/34/1382188534.db2.gz KFHYCNZBTXGGBA-UHFFFAOYSA-N 0 0 346.774 3.441 10 10 EGCERN CC[C@@H]1CCCN1c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001293418071 1382284846 /nfs/dbraw/zinc/28/48/46/1382284846.db2.gz RXJRHXNOAJJSFP-QGZVFWFLSA-N 0 0 327.476 3.388 10 10 EGCERN CCNc1ncc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC001162113024 1382631352 /nfs/dbraw/zinc/63/13/52/1382631352.db2.gz CIDFRKCRIKXCET-ZDUSSCGKSA-N 0 0 346.500 3.310 10 10 EGCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1cnn(C)c1 ZINC001295594807 1382736473 /nfs/dbraw/zinc/73/64/73/1382736473.db2.gz MHMRKUUAILWPNQ-MRXNPFEDSA-N 0 0 349.434 3.458 10 10 EGCERN COc1ccc(O)c([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001162442612 1382759869 /nfs/dbraw/zinc/75/98/69/1382759869.db2.gz LJJMASHNOJUPFU-VIFPVBQESA-N 0 0 328.328 3.358 10 10 EGCERN COCOCCCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001298577521 1383411980 /nfs/dbraw/zinc/41/19/80/1383411980.db2.gz ZEJLQGIIIICFQV-UHFFFAOYSA-N 0 0 330.428 3.143 10 10 EGCERN Cc1cc(C)cc(N(C)CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001167122608 1383544884 /nfs/dbraw/zinc/54/48/84/1383544884.db2.gz JYBGMVPAVBUNGH-UHFFFAOYSA-N 0 0 325.456 3.122 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cccc(Nc3ccc(C)nn3)c2)c1 ZINC001167293473 1383586712 /nfs/dbraw/zinc/58/67/12/1383586712.db2.gz FLWAPAYGADNPCS-UHFFFAOYSA-N 0 0 348.406 3.473 10 10 EGCERN CO[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)C(C)C ZINC001299678391 1383608327 /nfs/dbraw/zinc/60/83/27/1383608327.db2.gz NHTVJMCJGAANBP-KRWDZBQOSA-N 0 0 344.459 3.169 10 10 EGCERN CSc1ncc(Cl)c(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC001300399685 1383662200 /nfs/dbraw/zinc/66/22/00/1383662200.db2.gz MCMKRBUNJWKTKF-UHFFFAOYSA-N 0 0 344.223 3.141 10 10 EGCERN Cc1ccc(C)c(C2=NO[C@@H](C(=O)N[C@H](C)c3ccccc3O)C2)c1 ZINC001302532429 1383756975 /nfs/dbraw/zinc/75/69/75/1383756975.db2.gz BVPBJYFPTNFEOK-AUUYWEPGSA-N 0 0 338.407 3.379 10 10 EGCERN O=[N+]([O-])c1ncccc1CN(Cc1ccco1)Cc1ccccc1O ZINC001167983468 1383786965 /nfs/dbraw/zinc/78/69/65/1383786965.db2.gz MPNFZNGPWKNLDI-UHFFFAOYSA-N 0 0 339.351 3.491 10 10 EGCERN COC(=O)C1=C(C)O[C@H](CN2CCCCc3cc(OC)ccc32)C1 ZINC001168244515 1383852829 /nfs/dbraw/zinc/85/28/29/1383852829.db2.gz OTOBUGAEMSQPIV-INIZCTEOSA-N 0 0 331.412 3.074 10 10 EGCERN CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001308468559 1384127402 /nfs/dbraw/zinc/12/74/02/1384127402.db2.gz QUTXWURCEGIZKN-UHFFFAOYSA-N 0 0 336.794 3.457 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)(C)[C@H]3C(C)C)C2)cc1 ZINC001312995534 1384384982 /nfs/dbraw/zinc/38/49/82/1384384982.db2.gz WOUOMFJQTQXEPX-CRAIPNDOSA-N 0 0 345.487 3.350 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCC[C@H](C)C3)C2)cc1 ZINC001312994067 1384385296 /nfs/dbraw/zinc/38/52/96/1384385296.db2.gz HTGDNBSMJVSIPB-JKSUJKDBSA-N 0 0 331.460 3.106 10 10 EGCERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)NCc1ccccc1O ZINC001319456302 1386129632 /nfs/dbraw/zinc/12/96/32/1386129632.db2.gz RHPMIIZLGSVHFV-CABCVRRESA-N 0 0 348.443 3.092 10 10 EGCERN CCn1cc(C(=O)NCc2c(O)cccc2F)c(-c2ccccc2)n1 ZINC001178413456 1386209982 /nfs/dbraw/zinc/20/99/82/1386209982.db2.gz SASZLNPLCVOULG-UHFFFAOYSA-N 0 0 339.370 3.345 10 10 EGCERN COc1n[nH]c(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n1 ZINC001319908390 1386383551 /nfs/dbraw/zinc/38/35/51/1386383551.db2.gz ZXKBHLVFGIBHSB-UHFFFAOYSA-N 0 0 345.790 3.127 10 10 EGCERN C[S@](=O)(=NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(F)c1 ZINC001180569358 1386837565 /nfs/dbraw/zinc/83/75/65/1386837565.db2.gz VCZDPCZURBULFZ-XMMPIXPASA-N 0 0 348.359 3.285 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)NC1CC2(CC2(F)F)C1 ZINC001329994769 1389281389 /nfs/dbraw/zinc/28/13/89/1389281389.db2.gz MODMGVRWLJTMMO-UHFFFAOYSA-N 0 0 333.382 3.050 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C(C)C)C1CC1 ZINC001330716526 1389507884 /nfs/dbraw/zinc/50/78/84/1389507884.db2.gz BICZODGSHDZARF-SFHVURJKSA-N 0 0 346.471 3.072 10 10 EGCERN Cc1cc(OCC(=O)NCc2cccc(O)c2O)ccc1C(C)C ZINC001349078517 1391301055 /nfs/dbraw/zinc/30/10/55/1391301055.db2.gz HUQGBQZLITWWFT-UHFFFAOYSA-N 0 0 329.396 3.225 10 10 EGCERN Cc1c2ccccc2c(=O)oc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001350777048 1391529566 /nfs/dbraw/zinc/52/95/66/1391529566.db2.gz UTKUZKNHBVCLPI-UHFFFAOYSA-N 0 0 336.391 3.097 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ncc3c(F)cccn32)cc1 ZINC001350869474 1391547673 /nfs/dbraw/zinc/54/76/73/1391547673.db2.gz GWGGSJAKNVDCDC-UHFFFAOYSA-N 0 0 340.402 3.250 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1coc(C2CC2)n1 ZINC001351672098 1391668945 /nfs/dbraw/zinc/66/89/45/1391668945.db2.gz CJFTVVRDQFUSLV-UHFFFAOYSA-N 0 0 325.412 3.424 10 10 EGCERN COc1ccccc1C(F)(F)C(=O)NCc1ccc(N(C)C)cc1C ZINC001353245307 1391972515 /nfs/dbraw/zinc/97/25/15/1391972515.db2.gz KICZULTUSZNFIF-UHFFFAOYSA-N 0 0 348.393 3.478 10 10 EGCERN Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)CC2)c(O)c1O ZINC001353421623 1392007848 /nfs/dbraw/zinc/00/78/48/1392007848.db2.gz VTXGRXUBEYKSFT-MRXNPFEDSA-N 0 0 327.380 3.010 10 10 EGCERN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N(C)C1CC1 ZINC001693006153 1406006658 /nfs/dbraw/zinc/00/66/58/1406006658.db2.gz PXJZRGKBVPOIOP-UHFFFAOYSA-N 0 0 325.460 3.177 10 10 EGCERN C#CCCCn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001705525872 1417126535 /nfs/dbraw/zinc/12/65/35/1417126535.db2.gz XMAFGMSUFFDTAY-UHFFFAOYSA-N 0 0 337.471 3.237 10 10 EGCERN C=CCN(C)c1nnc(C(C)C)n1Cc1ccc2c(c1)CCCN2C ZINC001705833441 1417137797 /nfs/dbraw/zinc/13/77/97/1417137797.db2.gz GYORVBFIUXYOHB-UHFFFAOYSA-N 0 0 339.487 3.454 10 10 EGCERN Cc1nnc(N(C)CCC(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001707304221 1417295600 /nfs/dbraw/zinc/29/56/00/1417295600.db2.gz OWFUEEWJQUWFQJ-UHFFFAOYSA-N 0 0 329.492 3.492 10 10 EGCERN Cc1nnc(N(C)CC2CCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001707862250 1417384673 /nfs/dbraw/zinc/38/46/73/1417384673.db2.gz KTUFRYLIOROHOJ-UHFFFAOYSA-N 0 0 339.487 3.254 10 10 EGCERN CCc1nnc(N2CC[C@@H](C)C2)n1CCCSc1nccs1 ZINC001709076973 1417421737 /nfs/dbraw/zinc/42/17/37/1417421737.db2.gz CVDWKCYNSBVSGQ-GFCCVEGCSA-N 0 0 337.518 3.326 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001710025073 1417460488 /nfs/dbraw/zinc/46/04/88/1417460488.db2.gz NWQXFLFEJSGLDG-KDOFPFPSSA-N 0 0 345.466 3.275 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCSC1 ZINC001744548961 1439663817 /nfs/dbraw/zinc/66/38/17/1439663817.db2.gz LUACOTBTESZSTM-CQSZACIVSA-N 0 0 346.500 3.326 10 10 EGCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC1(C)C ZINC001747035526 1439973814 /nfs/dbraw/zinc/97/38/14/1439973814.db2.gz CJFCRVAITFHDBH-HNNXBMFYSA-N 0 0 344.459 3.203 10 10 EGCERN Cc1cc(CNC(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000021881168 202073185 /nfs/dbraw/zinc/07/31/85/202073185.db2.gz FNXOFDOSFQQOFH-IBGZPJMESA-N 0 0 341.455 3.381 10 10 EGCERN CC(C)[S@](=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000071921242 203151484 /nfs/dbraw/zinc/15/14/84/203151484.db2.gz IWTHGPUTVQSZJA-XMMPIXPASA-N 0 0 344.480 3.199 10 10 EGCERN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000101125401 204002250 /nfs/dbraw/zinc/00/22/50/204002250.db2.gz BNFWMUYNHIPDAX-VKJFTORMSA-N 0 0 344.411 3.300 10 10 EGCERN Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc2c(c1)CC[C@H](C)N2C ZINC000012446924 453365149 /nfs/dbraw/zinc/36/51/49/453365149.db2.gz WIWMVIMEBGCRDF-NJPLLEPOSA-N 0 0 336.391 3.123 10 10 EGCERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000053916180 453900439 /nfs/dbraw/zinc/90/04/39/453900439.db2.gz HFWTXZSUFFEUHJ-SUMWQHHRSA-N 0 0 338.407 3.259 10 10 EGCERN CCc1cc(NCc2cccc(OC)c2O)nc(-c2ccccn2)n1 ZINC000068699255 454044999 /nfs/dbraw/zinc/04/49/99/454044999.db2.gz JKMLPSFHFVXLLA-UHFFFAOYSA-N 0 0 336.395 3.427 10 10 EGCERN COc1cc(O)c(CN2CCC[C@@H]2c2noc(C(C)C)n2)cc1OC ZINC000160073349 455426570 /nfs/dbraw/zinc/42/65/70/455426570.db2.gz LLVYVPGNHXBIQC-CYBMUJFWSA-N 0 0 347.415 3.253 10 10 EGCERN O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000092105321 454524974 /nfs/dbraw/zinc/52/49/74/454524974.db2.gz SQQRMJHFTZDEAO-YGRLFVJLSA-N 0 0 343.254 3.190 10 10 EGCERN Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000160347781 455450003 /nfs/dbraw/zinc/45/00/03/455450003.db2.gz REZBWPZIMCJHPD-OAHLLOKOSA-N 0 0 345.402 3.414 10 10 EGCERN CCOc1cccc(CN2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000092539564 454582869 /nfs/dbraw/zinc/58/28/69/454582869.db2.gz SRANQWRBDLEOPI-UHFFFAOYSA-N 0 0 346.471 3.015 10 10 EGCERN CS(=O)(=O)c1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1 ZINC000065606863 454602289 /nfs/dbraw/zinc/60/22/89/454602289.db2.gz IGHUGQLJCIHXAD-UHFFFAOYSA-N 0 0 347.417 3.292 10 10 EGCERN CCOc1cccc(CN2CCc3c(nc(C(C)C)n3C)C2)c1O ZINC000123309839 454623279 /nfs/dbraw/zinc/62/32/79/454623279.db2.gz JFIKYGZCTJUWGC-UHFFFAOYSA-N 0 0 329.444 3.206 10 10 EGCERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000137326029 454777410 /nfs/dbraw/zinc/77/74/10/454777410.db2.gz FBEYNIUDRYSNPT-LLVKDONJSA-N 0 0 331.416 3.157 10 10 EGCERN C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184936074 455475801 /nfs/dbraw/zinc/47/58/01/455475801.db2.gz CJKUIGGBEGBSOP-WDEREUQCSA-N 0 0 333.259 3.070 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000177118079 454825297 /nfs/dbraw/zinc/82/52/97/454825297.db2.gz KGXLZTHCOIGUKY-MRXNPFEDSA-N 0 0 333.819 3.319 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000127152770 454942408 /nfs/dbraw/zinc/94/24/08/454942408.db2.gz HHGSXZMQQSMPID-GOSISDBHSA-N 0 0 345.370 3.013 10 10 EGCERN Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000179729272 455070842 /nfs/dbraw/zinc/07/08/42/455070842.db2.gz GNDDZHLEYGCCCW-QGZVFWFLSA-N 0 0 339.439 3.255 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(-c2ccccn2)c1 ZINC000181244708 455306344 /nfs/dbraw/zinc/30/63/44/455306344.db2.gz RNTJPNBOFRYLHN-CSKARUKUSA-N 0 0 346.386 3.489 10 10 EGCERN COc1cccc(CN2CC3(CCOCC3)c3ccccc32)c1O ZINC000191619487 455504480 /nfs/dbraw/zinc/50/44/80/455504480.db2.gz IHRZKIYXOPGVFV-UHFFFAOYSA-N 0 0 325.408 3.469 10 10 EGCERN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000185170463 455514953 /nfs/dbraw/zinc/51/49/53/455514953.db2.gz QOFGRRHGIKRCDA-NEPJUHHUSA-N 0 0 337.416 3.347 10 10 EGCERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@]2(C)CCCO2)cc1 ZINC000267948560 455568436 /nfs/dbraw/zinc/56/84/36/455568436.db2.gz LLXYMQHAUFJBDP-HXUWFJFHSA-N 0 0 342.439 3.444 10 10 EGCERN C[C@H](CCC(=O)NCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000192364875 455597864 /nfs/dbraw/zinc/59/78/64/455597864.db2.gz GRMNMKXMBUCARE-CQSZACIVSA-N 0 0 349.475 3.062 10 10 EGCERN C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000185762738 455616980 /nfs/dbraw/zinc/61/69/80/455616980.db2.gz NTPBXWXXYNVGQE-BBRMVZONSA-N 0 0 334.435 3.363 10 10 EGCERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000193080364 455740776 /nfs/dbraw/zinc/74/07/76/455740776.db2.gz FGOQMFWPHINJBU-JSGCOSHPSA-N 0 0 327.380 3.125 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@H](C)OC)ccc21 ZINC000292727028 455741636 /nfs/dbraw/zinc/74/16/36/455741636.db2.gz ZGIUMONPXIZHQK-HIFRSBDPSA-N 0 0 332.444 3.058 10 10 EGCERN Cc1ccc(O)c([C@H](C)Nc2cccc3c2CCN3S(C)(=O)=O)c1 ZINC000186656927 455813556 /nfs/dbraw/zinc/81/35/56/455813556.db2.gz FYPAKOBDCYZYBS-ZDUSSCGKSA-N 0 0 346.452 3.196 10 10 EGCERN CCc1nnc(CNCc2ccc(N(C)Cc3cccs3)cc2)[nH]1 ZINC000295965659 455864095 /nfs/dbraw/zinc/86/40/95/455864095.db2.gz IDXDQBILCIBJBM-UHFFFAOYSA-N 0 0 341.484 3.355 10 10 EGCERN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cn[nH]c1 ZINC000270167413 455892947 /nfs/dbraw/zinc/89/29/47/455892947.db2.gz BUPVHPLXXXPBKU-HNNXBMFYSA-N 0 0 341.459 3.206 10 10 EGCERN COc1cc(N(C)Cc2cccc3c2OCO3)cc(OC)c1OC ZINC000272476085 455963222 /nfs/dbraw/zinc/96/32/22/455963222.db2.gz BIKDKUUNTDCVHF-UHFFFAOYSA-N 0 0 331.368 3.078 10 10 EGCERN COc1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1 ZINC000272474438 455963342 /nfs/dbraw/zinc/96/33/42/455963342.db2.gz BANUOPUCUHTFKY-UHFFFAOYSA-N 0 0 347.411 3.366 10 10 EGCERN Cc1nc2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2o1 ZINC000280470715 455977575 /nfs/dbraw/zinc/97/75/75/455977575.db2.gz OXNHALLJRYHAHJ-UHFFFAOYSA-N 0 0 337.379 3.241 10 10 EGCERN Cn1cc(NC(=O)NCc2ccccc2O)c(C2CCCCC2)n1 ZINC000297397993 456208836 /nfs/dbraw/zinc/20/88/36/456208836.db2.gz MGZOIHQCLDLRTF-UHFFFAOYSA-N 0 0 328.416 3.495 10 10 EGCERN Cc1ccc([C@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c(O)c1C ZINC000273354462 456226042 /nfs/dbraw/zinc/22/60/42/456226042.db2.gz CJAQMUMLHKFMIC-HNNXBMFYSA-N 0 0 339.439 3.118 10 10 EGCERN CCCc1occc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000281917788 456360574 /nfs/dbraw/zinc/36/05/74/456360574.db2.gz QGICNPGBZKUTGW-UHFFFAOYSA-N 0 0 346.402 3.138 10 10 EGCERN CCCN(CCC)c1ccc(CN2CCn3cnnc3[C@H]2C)cc1 ZINC000276776659 456576970 /nfs/dbraw/zinc/57/69/70/456576970.db2.gz IVVWQUQIDCLODH-MRXNPFEDSA-N 0 0 327.476 3.481 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)NCCCc1nccs1 ZINC000292108802 456857602 /nfs/dbraw/zinc/85/76/02/456857602.db2.gz LZNSDCRXBWSIAL-UHFFFAOYSA-N 0 0 333.457 3.403 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1(C(F)(F)F)CC1 ZINC000342365510 457258236 /nfs/dbraw/zinc/25/82/36/457258236.db2.gz ZOVQMCSKFQKFRI-UHFFFAOYSA-N 0 0 328.334 3.211 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CCCCCO3)ccc21 ZINC000351681353 457311565 /nfs/dbraw/zinc/31/15/65/457311565.db2.gz WYXOWKIWZBMCPK-UHFFFAOYSA-N 0 0 330.428 3.462 10 10 EGCERN Cc1cc(C(=O)N2CC[C@]3(C2)CCCOC3)c(C)n1-c1ccccn1 ZINC000375321272 457881911 /nfs/dbraw/zinc/88/19/11/457881911.db2.gz PKQSHUNDXULIJI-FQEVSTJZSA-N 0 0 339.439 3.132 10 10 EGCERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000366834094 457902268 /nfs/dbraw/zinc/90/22/68/457902268.db2.gz UOGMIKWCVUWWGU-AXPFDKOBSA-N 0 0 341.382 3.440 10 10 EGCERN Cn1cc(-c2c[nH]cc2C(=O)N2CCc3c2cccc3Cl)cn1 ZINC000427150481 457950449 /nfs/dbraw/zinc/95/04/49/457950449.db2.gz PVMSDVOAYYCHAR-UHFFFAOYSA-N 0 0 326.787 3.272 10 10 EGCERN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C[C@@H]2C)C1 ZINC000525939686 459517714 /nfs/dbraw/zinc/51/77/14/459517714.db2.gz CFODEROYOVZQSM-IYBDPMFKSA-N 0 0 339.483 3.417 10 10 EGCERN COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000527939329 459777390 /nfs/dbraw/zinc/77/73/90/459777390.db2.gz NVQYJTBKXIUFHA-QMTHXVAHSA-N 0 0 329.322 3.052 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCc2ccccc2CC1 ZINC000528996406 459820093 /nfs/dbraw/zinc/82/00/93/459820093.db2.gz OGTMFLRMYHHAPS-AWEZNQCLSA-N 0 0 339.435 3.340 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528996786 459820156 /nfs/dbraw/zinc/82/01/56/459820156.db2.gz PWNCGTIBWBTOOF-DQYPLSBCSA-N 0 0 343.398 3.478 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3C[C@@H](OC)C3)ccc21 ZINC000629822196 460925355 /nfs/dbraw/zinc/92/53/55/460925355.db2.gz OVNQPMVCPQTAQJ-WOVMCDHWSA-N 0 0 344.455 3.059 10 10 EGCERN C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)n1cccc1 ZINC000729285931 574835975 /nfs/dbraw/zinc/83/59/75/574835975.db2.gz UCZWXPJBNADKMR-MRXNPFEDSA-N 0 0 343.496 3.309 10 10 EGCERN CN(C)c1ccc(CN(C(=O)Cn2ncc3ccccc32)C2CC2)cc1 ZINC000730475206 574990285 /nfs/dbraw/zinc/99/02/85/574990285.db2.gz MCZPHXQZIUXELN-UHFFFAOYSA-N 0 0 348.450 3.294 10 10 EGCERN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)C1=CC(=O)CS1 ZINC000731872026 575214130 /nfs/dbraw/zinc/21/41/30/575214130.db2.gz WNPSTDXFZTXBQM-HNNXBMFYSA-N 0 0 330.453 3.238 10 10 EGCERN O=C(NCCCSc1nccs1)c1cc(-c2cccnc2)on1 ZINC000733972265 575419603 /nfs/dbraw/zinc/41/96/03/575419603.db2.gz BQHNQDWYCCMMHD-UHFFFAOYSA-N 0 0 346.437 3.105 10 10 EGCERN CCOC(=O)CCOC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000734283293 575465278 /nfs/dbraw/zinc/46/52/78/575465278.db2.gz ZIBFQRYVNXLDKM-UHFFFAOYSA-N 0 0 347.411 3.015 10 10 EGCERN COc1cc2cc(C(=O)N(C)Cc3ccccc3O)[nH]c2cc1OC ZINC000735687445 575703171 /nfs/dbraw/zinc/70/31/71/575703171.db2.gz HFBXCJAIYKTPND-UHFFFAOYSA-N 0 0 340.379 3.163 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc(O)cc1 ZINC000742245847 576762107 /nfs/dbraw/zinc/76/21/07/576762107.db2.gz SLNRCGIURRHHFB-UHFFFAOYSA-N 0 0 342.439 3.274 10 10 EGCERN CCOc1cccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000742971060 576798393 /nfs/dbraw/zinc/79/83/93/576798393.db2.gz MONOUUHLTGLVRR-UHFFFAOYSA-N 0 0 332.385 3.307 10 10 EGCERN CCO[C@H](C)c1nc(CN(C)C(=O)C2=CC(=O)CS2)cs1 ZINC000743726956 576815283 /nfs/dbraw/zinc/81/52/83/576815283.db2.gz PQPJFMIZHMQUFU-SECBINFHSA-N 0 0 326.443 3.280 10 10 EGCERN Cc1cnc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)o1 ZINC000744474316 576829273 /nfs/dbraw/zinc/82/92/73/576829273.db2.gz QRHQJCAHMFOEMP-UHFFFAOYSA-N 0 0 347.326 3.115 10 10 EGCERN COc1cc(C)cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000182951494 1295087463 /nfs/dbraw/zinc/08/74/63/1295087463.db2.gz XDGFTIBLFJPLEQ-GOSISDBHSA-N 0 0 327.424 3.153 10 10 EGCERN CN1CCCc2cc(CNC(=O)NOCc3ccc(F)cc3)ccc21 ZINC000184616958 1295205023 /nfs/dbraw/zinc/20/50/23/1295205023.db2.gz BWSQFFHDUNATFH-UHFFFAOYSA-N 0 0 343.402 3.139 10 10 EGCERN CCOc1ccc(C(=O)CCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871197450 1296269109 /nfs/dbraw/zinc/26/91/09/1296269109.db2.gz AVPYBOHXTGSIMA-UHFFFAOYSA-N 0 0 339.391 3.296 10 10 EGCERN C[C@H](C(=O)N1Cc2cccc(O)c2C1)[C@H]1OCCc2sccc21 ZINC000871205181 1296272465 /nfs/dbraw/zinc/27/24/65/1296272465.db2.gz QMGRXYZCMSWIGH-APPDUMDISA-N 0 0 329.421 3.246 10 10 EGCERN O=C(N1Cc2cccc(O)c2C1)C1(Cc2ccccc2)CCOCC1 ZINC000871205506 1296272750 /nfs/dbraw/zinc/27/27/50/1296272750.db2.gz GBCPARDZHINIGO-UHFFFAOYSA-N 0 0 337.419 3.274 10 10 EGCERN Cn1nc(C(F)F)c2cc(C(=O)N3Cc4cccc(O)c4C3)sc21 ZINC000871205180 1296273287 /nfs/dbraw/zinc/27/32/87/1296273287.db2.gz QKYSMZQALUPMJZ-UHFFFAOYSA-N 0 0 349.362 3.434 10 10 EGCERN O=C([C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000871207245 1296273323 /nfs/dbraw/zinc/27/33/23/1296273323.db2.gz LGASDTSNDXDXAO-FHLIZLRMSA-N 0 0 325.795 3.474 10 10 EGCERN C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1[O-] ZINC000872119675 1296745547 /nfs/dbraw/zinc/74/55/47/1296745547.db2.gz UNGRLCGTHORCTC-CRMUJIHISA-N 0 0 343.876 3.052 10 10 EGCERN CC[N@@H+]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708214613 1298237223 /nfs/dbraw/zinc/23/72/23/1298237223.db2.gz DDVGDCJPGFMRJB-UHFFFAOYSA-N 0 0 347.684 3.336 10 10 EGCERN CN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708141309 1298237735 /nfs/dbraw/zinc/23/77/35/1298237735.db2.gz RYOQGNUZRQUZNO-UHFFFAOYSA-N 0 0 347.684 3.336 10 10 EGCERN CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])c2ccccc21 ZINC000877119757 1299166766 /nfs/dbraw/zinc/16/67/66/1299166766.db2.gz BXDORVQMNRKTRW-HNNXBMFYSA-N 0 0 332.350 3.258 10 10 EGCERN c1ccc2c(CNCc3ccc(N4CCOCC4)cc3)nsc2c1 ZINC000883411237 1302436312 /nfs/dbraw/zinc/43/63/12/1302436312.db2.gz TZTZHGGUOMLYSB-UHFFFAOYSA-N 0 0 339.464 3.423 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CC3(CCC3)CO2)c1[O-] ZINC000886288943 1303422746 /nfs/dbraw/zinc/42/27/46/1303422746.db2.gz KUEMPWQRCUWCND-GFCCVEGCSA-N 0 0 326.780 3.003 10 10 EGCERN O=C1CCC[C@@H](c2cccc(NCc3cc4c(cc3O)OCO4)c2)N1 ZINC000886374899 1303452030 /nfs/dbraw/zinc/45/20/30/1303452030.db2.gz QCHDSOINRSVHIB-HNNXBMFYSA-N 0 0 340.379 3.074 10 10 EGCERN COc1cc(N(C)Cc2cnc3onc(C)c3c2)cc(OC)c1OC ZINC000894429271 1308876868 /nfs/dbraw/zinc/87/68/68/1308876868.db2.gz BGBVUOVRZRJJJQ-UHFFFAOYSA-N 0 0 343.383 3.193 10 10 EGCERN CO[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000895343214 1309290660 /nfs/dbraw/zinc/29/06/60/1309290660.db2.gz JDZPADOLORNBFU-WBVHZDCISA-N 0 0 346.814 3.157 10 10 EGCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])O2 ZINC000895819511 1309533983 /nfs/dbraw/zinc/53/39/83/1309533983.db2.gz AETDRRGXLXBQLA-DMVWFOPNSA-N 0 0 325.836 3.108 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000896131944 1309714057 /nfs/dbraw/zinc/71/40/57/1309714057.db2.gz DAROJLQLNIDVJG-SNVBAGLBSA-N 0 0 343.408 3.055 10 10 EGCERN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1[C@H]1CCCO1 ZINC000897791759 1310468788 /nfs/dbraw/zinc/46/87/88/1310468788.db2.gz WHAWXPHMSHMCDJ-CZUORRHYSA-N 0 0 347.436 3.342 10 10 EGCERN CC[C@H]1COC(C)(C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898272239 1310656432 /nfs/dbraw/zinc/65/64/32/1310656432.db2.gz BUUZIRNWONLJFG-NSHDSACASA-N 0 0 335.425 3.342 10 10 EGCERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCCO1 ZINC000898438302 1310734218 /nfs/dbraw/zinc/73/42/18/1310734218.db2.gz FJRSVEIHWLKIGY-BXUZGUMPSA-N 0 0 335.425 3.390 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](C(F)F)C1CCCCC1 ZINC000857741669 1328594041 /nfs/dbraw/zinc/59/40/41/1328594041.db2.gz JFDPVOPFSCBEPW-GQSKFBFOSA-N 0 0 325.355 3.441 10 10 EGCERN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000858212687 1328712594 /nfs/dbraw/zinc/71/25/94/1328712594.db2.gz ZYEZZNWSDJDYIM-HNNXBMFYSA-N 0 0 348.240 3.386 10 10 EGCERN CC(C)NC(=O)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000929845941 1328718229 /nfs/dbraw/zinc/71/82/29/1328718229.db2.gz OPVCPDSTAHRQGG-UHFFFAOYSA-N 0 0 339.395 3.078 10 10 EGCERN Oc1ccccc1CN(Cc1ccco1)Cc1noc2c1COCC2 ZINC000929970377 1328752587 /nfs/dbraw/zinc/75/25/87/1328752587.db2.gz JWPZNPGBRPBJQO-UHFFFAOYSA-N 0 0 340.379 3.248 10 10 EGCERN COc1ccc([C@@H](NC(=O)NCc2c(O)cccc2F)C2CC2)cc1 ZINC000913968579 1319197229 /nfs/dbraw/zinc/19/72/29/1319197229.db2.gz RLICSFBYGITXKN-SFHVURJKSA-N 0 0 344.386 3.490 10 10 EGCERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCS1 ZINC000914180165 1319259212 /nfs/dbraw/zinc/25/92/12/1319259212.db2.gz GXXVMMWOCKFZMX-GDBMZVCRSA-N 0 0 333.501 3.370 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC(Cc3cccs3)C2)cc1OC ZINC000858830575 1328869619 /nfs/dbraw/zinc/86/96/19/1328869619.db2.gz LDJICFUJAYZRTL-UHFFFAOYSA-N 0 0 334.397 3.352 10 10 EGCERN C/C=C\CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000858889175 1328884322 /nfs/dbraw/zinc/88/43/22/1328884322.db2.gz CXWMXPKPNAORJR-IHWYPQMZSA-N 0 0 339.386 3.132 10 10 EGCERN Cc1cc(CNC(=O)N(C)Cc2cc[nH]n2)c(C)n1-c1ccccc1 ZINC000858908315 1328887907 /nfs/dbraw/zinc/88/79/07/1328887907.db2.gz OBRBHVIXRHVZHA-UHFFFAOYSA-N 0 0 337.427 3.159 10 10 EGCERN C[C@H](NS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1O ZINC000919116937 1322028541 /nfs/dbraw/zinc/02/85/41/1322028541.db2.gz ARNSMUCLGPNIHP-XNJJOIOASA-N 0 0 335.400 3.068 10 10 EGCERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCS1 ZINC000919918742 1322117231 /nfs/dbraw/zinc/11/72/31/1322117231.db2.gz QVQRFPIOCZRLRR-ZBFHGGJFSA-N 0 0 331.485 3.146 10 10 EGCERN CCN(CC(=O)Nc1ccccc1F)c1ccc(OC)c(OC)c1 ZINC000921061139 1322250816 /nfs/dbraw/zinc/25/08/16/1322250816.db2.gz PNNORCVVPHJDDP-UHFFFAOYSA-N 0 0 332.375 3.308 10 10 EGCERN COc1cc(OC)c(CNCc2ccc3c(c2)CCCO3)c(OC)c1 ZINC000921550563 1322348876 /nfs/dbraw/zinc/34/88/76/1322348876.db2.gz LSCLOINXCXSYTJ-UHFFFAOYSA-N 0 0 343.423 3.327 10 10 EGCERN c1cc(N2CCCCC2)ccc1CNCc1nc2c(s1)COCC2 ZINC000922963180 1322663558 /nfs/dbraw/zinc/66/35/58/1322663558.db2.gz XZAPJVQDZCCXNM-UHFFFAOYSA-N 0 0 343.496 3.496 10 10 EGCERN CC1(c2nccc(NC(=O)NCc3cccc(Cl)c3O)n2)CC1 ZINC000931089911 1329046929 /nfs/dbraw/zinc/04/69/29/1329046929.db2.gz APKKPEYYNQYBHZ-UHFFFAOYSA-N 0 0 332.791 3.209 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC000931146403 1329060500 /nfs/dbraw/zinc/06/05/00/1329060500.db2.gz MFYKOIHYNNZTEP-FZMZJTMJSA-N 0 0 348.340 3.008 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@H]3CCCC34CC4)CC2)cc1F ZINC000859965919 1329120599 /nfs/dbraw/zinc/12/05/99/1329120599.db2.gz KMYBLXBBTYJNFK-OAHLLOKOSA-N 0 0 332.419 3.063 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)OCc2ccccc2C)c1 ZINC000860241077 1329181824 /nfs/dbraw/zinc/18/18/24/1329181824.db2.gz GMURHUQDBMPSGR-GJZGRUSLSA-N 0 0 343.423 3.492 10 10 EGCERN Cc1nc2c(cccc2CCNC(=O)NCc2cc(C)ccc2O)o1 ZINC000926936013 1327784179 /nfs/dbraw/zinc/78/41/79/1327784179.db2.gz GLMWVCQIQDOCHN-UHFFFAOYSA-N 0 0 339.395 3.192 10 10 EGCERN CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000927130236 1327881823 /nfs/dbraw/zinc/88/18/23/1327881823.db2.gz MGSNUTADSLCGIF-GXTWGEPZSA-N 0 0 344.242 3.207 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(C)CCCCO1 ZINC000927190615 1327912990 /nfs/dbraw/zinc/91/29/90/1327912990.db2.gz LQSCOUSZAZHGSS-IBGZPJMESA-N 0 0 333.476 3.243 10 10 EGCERN COc1ccc(CNC(=O)N[C@H]2CCSC3(CCC3)C2)c(O)c1 ZINC000927273561 1327947446 /nfs/dbraw/zinc/94/74/46/1327947446.db2.gz SDAZGHREOIOOEI-ZDUSSCGKSA-N 0 0 336.457 3.018 10 10 EGCERN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2c(O)cccc2F)CC=CCC1 ZINC000928707020 1328405045 /nfs/dbraw/zinc/40/50/45/1328405045.db2.gz ZTCSBYVYBWPAMX-IBGZPJMESA-N 0 0 349.402 3.216 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(C3CC3)C2)cc1 ZINC000861787366 1329441746 /nfs/dbraw/zinc/44/17/46/1329441746.db2.gz IWGSJPQXLOKZRK-UHFFFAOYSA-N 0 0 336.435 3.318 10 10 EGCERN Cc1nc(C(C)C)oc1C(=O)NCc1ccc2cccnc2c1O ZINC000862026252 1329455793 /nfs/dbraw/zinc/45/57/93/1329455793.db2.gz JMOQFGVSUYFUPP-UHFFFAOYSA-N 0 0 325.368 3.290 10 10 EGCERN [O-]c1c(Cl)cccc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000862475580 1329489322 /nfs/dbraw/zinc/48/93/22/1329489322.db2.gz PBBCRAIPNVUZMM-UHFFFAOYSA-N 0 0 349.805 3.092 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 ZINC000862759715 1329507315 /nfs/dbraw/zinc/50/73/15/1329507315.db2.gz JUVAUXGCBZPZKC-DYVFJYSZSA-N 0 0 338.407 3.225 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2scnc2C(F)F)cc1F ZINC000865051550 1329665485 /nfs/dbraw/zinc/66/54/85/1329665485.db2.gz NLLADHFYLZGDBI-UHFFFAOYSA-N 0 0 329.347 3.216 10 10 EGCERN Cc1cc(CNC(=S)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000865230907 1329678228 /nfs/dbraw/zinc/67/82/28/1329678228.db2.gz WODQXUWGGYBYAI-UHFFFAOYSA-N 0 0 344.484 3.088 10 10 EGCERN CN(C)c1ccc(/C=C/CNCc2c(Br)cnn2C)cc1 ZINC000865681233 1329728873 /nfs/dbraw/zinc/72/88/73/1329728873.db2.gz UGMOCQYVQYEYOF-SNAWJCMRSA-N 0 0 349.276 3.052 10 10 EGCERN COc1cccc(CNC(=O)c2ccc(C3CCOCC3)cc2)c1O ZINC000866762856 1330147655 /nfs/dbraw/zinc/14/76/55/1330147655.db2.gz DRAZTZNQEQXQKG-UHFFFAOYSA-N 0 0 341.407 3.225 10 10 EGCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866898276 1330155523 /nfs/dbraw/zinc/15/55/23/1330155523.db2.gz RWLQZFGRZZGCGT-NBZXXOOGSA-N 0 0 329.440 3.192 10 10 EGCERN C[C@H](NS(=O)(=O)C[C@H]1CCCC(F)(F)C1)c1ccccc1O ZINC000867836316 1330222958 /nfs/dbraw/zinc/22/29/58/1330222958.db2.gz NZBQDQYARFVSKY-RYUDHWBXSA-N 0 0 333.400 3.198 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000868890829 1330368055 /nfs/dbraw/zinc/36/80/55/1330368055.db2.gz XUEYHTCFURGBIA-RYGJVYDSSA-N 0 0 344.499 3.171 10 10 EGCERN COc1ccc(N(Cc2ccccc2)C[C@H]2COCCO2)cc1OC ZINC001198838469 1369127664 /nfs/dbraw/zinc/12/76/64/1369127664.db2.gz ZHZAIGMCOULTJC-SFHVURJKSA-N 0 0 343.423 3.126 10 10 EGCERN O=C(C1=CC(=O)CS1)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001118773306 1371224669 /nfs/dbraw/zinc/22/46/69/1371224669.db2.gz ILCCEUOGWGROST-INIZCTEOSA-N 0 0 331.437 3.257 10 10 EGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001119843224 1371413119 /nfs/dbraw/zinc/41/31/19/1371413119.db2.gz BZKYQYQHBFXJKO-YESZJQIVSA-N 0 0 346.446 3.105 10 10 EGCERN O=C1C=CSC1c1nnc(Nc2ccn(CCF)n2)n1CC1CC1 ZINC001123519225 1372494502 /nfs/dbraw/zinc/49/45/02/1372494502.db2.gz UORWNWGEPSJWIC-UHFFFAOYSA-N 0 0 348.407 3.032 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn(CC2CC2)c1 ZINC001124623613 1372717138 /nfs/dbraw/zinc/71/71/38/1372717138.db2.gz UQUOHLBHYVAOGM-UHFFFAOYSA-N 0 0 338.455 3.166 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(Cl)nn1 ZINC001124622510 1372717476 /nfs/dbraw/zinc/71/74/76/1372717476.db2.gz IGWGXXFGMOGRHC-UHFFFAOYSA-N 0 0 330.819 3.002 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc3ccn(C)c3c2)cc1F ZINC001125469720 1372792495 /nfs/dbraw/zinc/79/24/95/1372792495.db2.gz YYKPXEWYPDDTJR-UHFFFAOYSA-N 0 0 325.387 3.313 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2nsc3ccccc32)cc1F ZINC001125469691 1372792825 /nfs/dbraw/zinc/79/28/25/1372792825.db2.gz YFWWYMNCBLZJFU-UHFFFAOYSA-N 0 0 329.400 3.431 10 10 EGCERN COc1cccc2c1OC[C@H](NC(=O)c1ccccc1-n1cccc1)C2 ZINC001125805661 1372862013 /nfs/dbraw/zinc/86/20/13/1372862013.db2.gz PEBDILSRMHSDAL-MRXNPFEDSA-N 0 0 348.402 3.219 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCOC(C)(C)[C@@H]1C ZINC001230194337 1375964950 /nfs/dbraw/zinc/96/49/50/1375964950.db2.gz AAEJLEZJZSWTDH-CVEARBPZSA-N 0 0 347.503 3.201 10 10 EGCERN O=C(Nc1ccc2c(c1)OCO2)c1cc2cc(O)c(O)cc2s1 ZINC001135601639 1377159498 /nfs/dbraw/zinc/15/94/98/1377159498.db2.gz NLTRBVIYDFOEAR-UHFFFAOYSA-N 0 0 329.333 3.294 10 10 EGCERN C[C@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)n1cccn1 ZINC001135800696 1377214228 /nfs/dbraw/zinc/21/42/28/1377214228.db2.gz LZFZYRFYNIYJID-MRXNPFEDSA-N 0 0 326.444 3.093 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=C[S@](=O)CCC1 ZINC001135968012 1377280795 /nfs/dbraw/zinc/28/07/95/1377280795.db2.gz FZLORVDNZANHHL-XMMPIXPASA-N 0 0 346.496 3.062 10 10 EGCERN CCc1nc(C)ncc1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001136729555 1377418134 /nfs/dbraw/zinc/41/81/34/1377418134.db2.gz GYNIUFBILOVJCB-UHFFFAOYSA-N 0 0 344.434 3.263 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1ccc(C=O)cc1 ZINC001136972329 1377448156 /nfs/dbraw/zinc/44/81/56/1377448156.db2.gz JCBQWJQHXZCLQK-YFHOEESVSA-N 0 0 336.391 3.004 10 10 EGCERN O=C(c1cc(Cl)no1)N(Cc1ccco1)Cc1ccccc1O ZINC001137343542 1377525781 /nfs/dbraw/zinc/52/57/81/1377525781.db2.gz UELKDCATJUZPBC-UHFFFAOYSA-N 0 0 332.743 3.469 10 10 EGCERN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001137531775 1377561954 /nfs/dbraw/zinc/56/19/54/1377561954.db2.gz YYWWAXQZMAOTQD-CQSZACIVSA-N 0 0 343.423 3.442 10 10 EGCERN O=C(Oc1cccc2c1OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC001138096238 1377676415 /nfs/dbraw/zinc/67/64/15/1377676415.db2.gz AGBGQUAHOPGJES-UHFFFAOYSA-N 0 0 344.344 3.303 10 10 EGCERN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(O)c1O)[C@@H]2C ZINC001138144693 1377684898 /nfs/dbraw/zinc/68/48/98/1377684898.db2.gz GHKNHJDXAKQNOF-VXGBXAGGSA-N 0 0 327.380 3.254 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC001140061860 1377999391 /nfs/dbraw/zinc/99/93/91/1377999391.db2.gz ZKMBLCPLSDIZMZ-HNNXBMFYSA-N 0 0 343.276 3.199 10 10 EGCERN CCc1ccc([C@@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001141527552 1378339592 /nfs/dbraw/zinc/33/95/92/1378339592.db2.gz TTWMKAKVAGXINK-QGZVFWFLSA-N 0 0 325.408 3.219 10 10 EGCERN COCC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001141799553 1378379173 /nfs/dbraw/zinc/37/91/73/1378379173.db2.gz MJNGQTOYEWHNMH-UHFFFAOYSA-N 0 0 332.404 3.176 10 10 EGCERN CN1CCCc2cc(CNC(=O)C(C)(C)c3cccc(O)c3)ccc21 ZINC001142465856 1378444959 /nfs/dbraw/zinc/44/49/59/1378444959.db2.gz UBZKBBRFLCQHOU-UHFFFAOYSA-N 0 0 338.451 3.369 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cc(C2CC2)nc2ccccc21 ZINC001142530018 1378453987 /nfs/dbraw/zinc/45/39/87/1378453987.db2.gz KTJSQMLGTMNCGY-UHFFFAOYSA-N 0 0 334.375 3.453 10 10 EGCERN Cc1[nH]c(C=O)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001149856960 1379457038 /nfs/dbraw/zinc/45/70/38/1379457038.db2.gz GEUAMYAIXPEOSS-UHFFFAOYSA-N 0 0 338.363 3.277 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1c(C(F)F)nc2ccccn21 ZINC001149871280 1379457995 /nfs/dbraw/zinc/45/79/95/1379457995.db2.gz DKWHLRLARTWKSE-UHFFFAOYSA-N 0 0 331.322 3.250 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)c1cccc(Oc2ccccn2)c1 ZINC001150376691 1379541083 /nfs/dbraw/zinc/54/10/83/1379541083.db2.gz AZAAJLCYHQQAPU-UHFFFAOYSA-N 0 0 336.347 3.215 10 10 EGCERN COC(=O)c1conc1C(C)(C)NCc1cc(Cl)c(C)cc1O ZINC001327892769 1388617136 /nfs/dbraw/zinc/61/71/36/1388617136.db2.gz SACOLJYLRQBLIM-UHFFFAOYSA-N 0 0 338.791 3.154 10 10 EGCERN Cc1cc(CNC(=O)c2ccc(C=O)n2C)c(C)n1-c1ccccc1 ZINC001151153611 1379668274 /nfs/dbraw/zinc/66/82/74/1379668274.db2.gz LOZVPFJFJXMHIJ-UHFFFAOYSA-N 0 0 335.407 3.175 10 10 EGCERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001151153159 1379668742 /nfs/dbraw/zinc/66/87/42/1379668742.db2.gz HZFZJKYGEOGHLQ-MDASCCDHSA-N 0 0 326.440 3.381 10 10 EGCERN Nc1c(C(=O)N2Cc3cccc(O)c3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001152574485 1379950732 /nfs/dbraw/zinc/95/07/32/1379950732.db2.gz VXLHAIWHUVBGSH-UHFFFAOYSA-N 0 0 349.346 3.192 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H](F)C3)CC2)cc1F ZINC001327991217 1388639616 /nfs/dbraw/zinc/63/96/16/1388639616.db2.gz DYSZULHOIUAUAD-KGLIPLIRSA-N 0 0 338.398 3.011 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)[C@H]1CCC[C@@H](F)C1 ZINC001327997005 1388641426 /nfs/dbraw/zinc/64/14/26/1388641426.db2.gz NVAKVJAHWWRLCY-JOYOIKCWSA-N 0 0 330.197 3.299 10 10 EGCERN Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2cc(O)ccc2O)c1 ZINC001153879679 1380148441 /nfs/dbraw/zinc/14/84/41/1380148441.db2.gz UPIJWCQHTWRKOI-LLVKDONJSA-N 0 0 335.787 3.143 10 10 EGCERN Cc1cc(CC(=O)N(C)c2nncs2)c(C)n1-c1ccccc1 ZINC001155092933 1380407017 /nfs/dbraw/zinc/40/70/17/1380407017.db2.gz HWUQBDCWEHZBEY-UHFFFAOYSA-N 0 0 326.425 3.151 10 10 EGCERN Cc1c(C(=O)NCc2c(O)cccc2F)cnn1-c1ccccc1F ZINC001156164070 1380534597 /nfs/dbraw/zinc/53/45/97/1380534597.db2.gz MBPWKQGWAZUSPC-UHFFFAOYSA-N 0 0 343.333 3.095 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@H]1CCCC[C@H]1CC ZINC001157102670 1380776357 /nfs/dbraw/zinc/77/63/57/1380776357.db2.gz OWDYENPJAKXOBV-PBHICJAKSA-N 0 0 340.460 3.480 10 10 EGCERN Cc1cc(C(=O)NCc2ccc3[nH]cnc3c2)c(C)n1-c1ccccn1 ZINC001158845887 1381428762 /nfs/dbraw/zinc/42/87/62/1381428762.db2.gz SXGXVJUAAWYJJS-UHFFFAOYSA-N 0 0 345.406 3.295 10 10 EGCERN COc1ccc(SCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001159034567 1381529354 /nfs/dbraw/zinc/52/93/54/1381529354.db2.gz XNDNTROWADFICY-UHFFFAOYSA-N 0 0 337.828 3.463 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nnc(C2CC2)[nH]1 ZINC001159380363 1381781883 /nfs/dbraw/zinc/78/18/83/1381781883.db2.gz PSHFASICHMQXMD-UHFFFAOYSA-N 0 0 349.438 3.328 10 10 EGCERN Cc1cc(C(=O)N2Cc3cncnc3C2)c(C)n1-c1ccc(F)cc1 ZINC001159737396 1381885838 /nfs/dbraw/zinc/88/58/38/1381885838.db2.gz CHHMBTQYMQOEDT-UHFFFAOYSA-N 0 0 336.370 3.179 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccn3cc(C)nc3c2)cc1 ZINC001291710082 1382151240 /nfs/dbraw/zinc/15/12/40/1382151240.db2.gz HPIXFQWKCVNRDX-UHFFFAOYSA-N 0 0 336.439 3.419 10 10 EGCERN COc1nccc2c(NC(=O)/C=C\c3ccc(O)c(O)c3)cccc12 ZINC001161199727 1382338710 /nfs/dbraw/zinc/33/87/10/1382338710.db2.gz AFPIUIAMAHVTRG-VURMDHGXSA-N 0 0 336.347 3.307 10 10 EGCERN O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1c(F)ccc(O)c1O ZINC001161706321 1382485803 /nfs/dbraw/zinc/48/58/03/1382485803.db2.gz MDIXPLFQTSESOU-UMSPYCQHSA-N 0 0 333.384 3.290 10 10 EGCERN O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(O)cc1O ZINC001162271737 1382718285 /nfs/dbraw/zinc/71/82/85/1382718285.db2.gz PTKSHWZSLPQCHD-UHFFFAOYSA-N 0 0 342.178 3.100 10 10 EGCERN Cn1cc(C(=O)NCc2ccc3cccnc3c2O)c2ccccc21 ZINC001162607346 1382806762 /nfs/dbraw/zinc/80/67/62/1382806762.db2.gz OFTCSXVMYNJUTM-UHFFFAOYSA-N 0 0 331.375 3.362 10 10 EGCERN Cc1cc2c[nH]nc2c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162607187 1382806822 /nfs/dbraw/zinc/80/68/22/1382806822.db2.gz JYYKSUCZZIEBJX-UHFFFAOYSA-N 0 0 332.363 3.055 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1CC1(C)CC1 ZINC001298363587 1383397079 /nfs/dbraw/zinc/39/70/79/1383397079.db2.gz HEWPTSHTFGVVBL-UHFFFAOYSA-N 0 0 349.438 3.482 10 10 EGCERN CNc1ncccc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001298830775 1383435780 /nfs/dbraw/zinc/43/57/80/1383435780.db2.gz ZOTDNWXNXDBKJK-UHFFFAOYSA-N 0 0 344.378 3.085 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)c(F)c1 ZINC001299574749 1383574201 /nfs/dbraw/zinc/57/42/01/1383574201.db2.gz UDOVNYNRMMLEHZ-UHFFFAOYSA-N 0 0 329.249 3.186 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccnc(OCC(F)F)c1 ZINC001300396389 1383662432 /nfs/dbraw/zinc/66/24/32/1383662432.db2.gz QKUUWZZCKSWKQV-UHFFFAOYSA-N 0 0 342.729 3.015 10 10 EGCERN CCc1nc2ccccc2n1CCC(=O)NCc1cc(C)ccc1O ZINC001301046814 1383692192 /nfs/dbraw/zinc/69/21/92/1383692192.db2.gz LYCOEJJWFCKECT-UHFFFAOYSA-N 0 0 337.423 3.319 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001167793327 1383741729 /nfs/dbraw/zinc/74/17/29/1383741729.db2.gz PCAPAANNYVMFLV-CQSZACIVSA-N 0 0 347.361 3.325 10 10 EGCERN CCc1nnc(N2CC=CCC2)n1CCCSc1nccs1 ZINC001306114778 1383876208 /nfs/dbraw/zinc/87/62/08/1383876208.db2.gz MDGPWDDBUXYNIB-UHFFFAOYSA-N 0 0 335.502 3.246 10 10 EGCERN CCCOc1ccnc(NCc2cccc(Br)c2O)n1 ZINC001307108447 1383941666 /nfs/dbraw/zinc/94/16/66/1383941666.db2.gz HSEBHQHPMPJHMG-UHFFFAOYSA-N 0 0 338.205 3.346 10 10 EGCERN CCc1nnc(N[C@H](C)Cc2ccc(N(C)C)cc2C)nc1CC ZINC001307144132 1383945032 /nfs/dbraw/zinc/94/50/32/1383945032.db2.gz VPHFLBDBXATVER-CQSZACIVSA-N 0 0 327.476 3.414 10 10 EGCERN CN(C)c1ccc([C@H](CNC(=O)NCC2CC(C)(C)C2)[NH+](C)C)cc1 ZINC001312516174 1384354228 /nfs/dbraw/zinc/35/42/28/1384354228.db2.gz KOUWFRPNSIVZET-SFHVURJKSA-N 0 0 346.519 3.091 10 10 EGCERN C[C@H](NC(=O)c1ccn(-c2ccc(F)cc2F)n1)c1ccccc1O ZINC001171730070 1384616607 /nfs/dbraw/zinc/61/66/07/1384616607.db2.gz JPBMMEPXHAQSKC-NSHDSACASA-N 0 0 343.333 3.347 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1cccc(-c2cscn2)c1 ZINC001176748298 1385681422 /nfs/dbraw/zinc/68/14/22/1385681422.db2.gz NTUVCGONVNUJSC-UHFFFAOYSA-N 0 0 326.377 3.151 10 10 EGCERN COc1ccc(N(Cc2cnon2)Cc2ccccc2)cc1OC ZINC001177022038 1385775327 /nfs/dbraw/zinc/77/53/27/1385775327.db2.gz KBSZQAYAXYAKMT-UHFFFAOYSA-N 0 0 325.368 3.294 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1nc(-c2ccccc2)cs1 ZINC001178912472 1386346875 /nfs/dbraw/zinc/34/68/75/1386346875.db2.gz UPFXRGHYFYYYCB-UHFFFAOYSA-N 0 0 326.377 3.151 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001178912606 1386347019 /nfs/dbraw/zinc/34/70/19/1386347019.db2.gz VCLOBKXPHFDYJF-UHFFFAOYSA-N 0 0 346.692 3.095 10 10 EGCERN Cc1cc(C(=O)Nc2cnc3n[nH]cc3c2)c(C)n1-c1ccccn1 ZINC001179058852 1386389437 /nfs/dbraw/zinc/38/94/37/1386389437.db2.gz XZSZRWVBGUPOLI-UHFFFAOYSA-N 0 0 332.367 3.013 10 10 EGCERN CC1(C)CC[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)OC1 ZINC001179404502 1386477499 /nfs/dbraw/zinc/47/74/99/1386477499.db2.gz FVJYMIPLDDKYMF-CQSZACIVSA-N 0 0 332.404 3.174 10 10 EGCERN c1cn(C2CCOCC2)nc1NCc1ccc(N2CCCC2)cc1 ZINC001329558204 1389155724 /nfs/dbraw/zinc/15/57/24/1389155724.db2.gz PRAPTGRRTIUHMV-UHFFFAOYSA-N 0 0 326.444 3.447 10 10 EGCERN CCCC(O)(CCC)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001332392577 1390104193 /nfs/dbraw/zinc/10/41/93/1390104193.db2.gz GWEKXYKOJKLXCZ-UHFFFAOYSA-N 0 0 337.441 3.374 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)C(F)(F)F ZINC001346245537 1390917903 /nfs/dbraw/zinc/91/79/03/1390917903.db2.gz HFFXQUSLDNHSJV-UHFFFAOYSA-N 0 0 344.377 3.070 10 10 EGCERN O=C(NCC[C@H]1CC=CCC1)NCc1ccc(N2CCOCC2)cc1 ZINC001348099389 1391172728 /nfs/dbraw/zinc/17/27/28/1391172728.db2.gz DUDQDRPZGWCPFD-KRWDZBQOSA-N 0 0 343.471 3.069 10 10 EGCERN C[C@@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1(F)F ZINC001350629307 1391493777 /nfs/dbraw/zinc/49/37/77/1391493777.db2.gz VECUYFNJBLGCTJ-SFHVURJKSA-N 0 0 341.313 3.446 10 10 EGCERN CCn1cccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001351677318 1391668494 /nfs/dbraw/zinc/66/84/94/1391668494.db2.gz VLTBVIDBCRWGPZ-MRXNPFEDSA-N 0 0 328.412 3.035 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]12C[C@H]1COC2(C)C ZINC001352615614 1391823642 /nfs/dbraw/zinc/82/36/42/1391823642.db2.gz RGQMSEJMSUIQDK-JXFKEZNVSA-N 0 0 328.456 3.060 10 10 EGCERN Cc1cc(CC(=O)NCCC(=O)OC(C)C)c(C)n1-c1ccccc1 ZINC001353746696 1392080436 /nfs/dbraw/zinc/08/04/36/1392080436.db2.gz NOWCXYLZUVECFG-UHFFFAOYSA-N 0 0 342.439 3.095 10 10 EGCERN COC(=O)CCN(C(=O)/C=C\c1cccnc1C)c1cccc(F)c1 ZINC001354309431 1392137329 /nfs/dbraw/zinc/13/73/29/1392137329.db2.gz XSZUPBRURTXVPO-HJWRWDBZSA-N 0 0 342.370 3.139 10 10 EGCERN CN(Cc1ccccc1O)c1nnc([C@H]2CCCCO2)n1C1CC1 ZINC001503487106 1396256593 /nfs/dbraw/zinc/25/65/93/1396256593.db2.gz GHPVAUONQIJRNG-MRXNPFEDSA-N 0 0 328.416 3.197 10 10 EGCERN CC[C@H](C)CN(C)c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001694166120 1406047263 /nfs/dbraw/zinc/04/72/63/1406047263.db2.gz OADPCVCOCMYUMV-AWEZNQCLSA-N 0 0 329.492 3.492 10 10 EGCERN CCN(CC(C)C)c1nnc(C)n1Cc1ccc2c(c1)CCCN2C ZINC001695573048 1406099494 /nfs/dbraw/zinc/09/94/94/1406099494.db2.gz JQFXVOIEMDXVQL-UHFFFAOYSA-N 0 0 341.503 3.500 10 10 EGCERN Cc1nnc(N2CC[C@H]3CCC[C@H]32)n1Cc1ccc(N(C)C)c(F)c1 ZINC001707893999 1417388475 /nfs/dbraw/zinc/38/84/75/1417388475.db2.gz PXKUBOURXSZCBR-NVXWUHKLSA-N 0 0 343.450 3.219 10 10 EGCERN Cc1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001726368690 1427052265 /nfs/dbraw/zinc/05/22/65/1427052265.db2.gz XMUOQZVURHVXDA-GASCZTMLSA-N 0 0 339.487 3.109 10 10 EGCERN C[C@H]1C[C@@H]1n1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001726485922 1427063268 /nfs/dbraw/zinc/06/32/68/1427063268.db2.gz JEYZYVXMDVHAHA-BBRMVZONSA-N 0 0 335.411 3.263 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCSC1 ZINC001744548960 1439663987 /nfs/dbraw/zinc/66/39/87/1439663987.db2.gz LUACOTBTESZSTM-AWEZNQCLSA-N 0 0 346.500 3.326 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC1(SC)CC1 ZINC001744550348 1439664245 /nfs/dbraw/zinc/66/42/45/1439664245.db2.gz ZPPZAWILKDSBME-UHFFFAOYSA-N 0 0 332.473 3.078 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2C[C@H]3CCC[C@H]32)cc1 ZINC001746086391 1439851536 /nfs/dbraw/zinc/85/15/36/1439851536.db2.gz LOSKRQLGBMQGGQ-IEBWSBKVSA-N 0 0 339.487 3.470 10 10 EGCERN Nc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1 ZINC000022172157 212279858 /nfs/dbraw/zinc/27/98/58/212279858.db2.gz XVHJDWWDBLJGBA-UHFFFAOYSA-N 0 0 335.201 3.439 10 10 EGCERN CCc1ccc(N(CC)S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000000213016 201449761 /nfs/dbraw/zinc/44/97/61/201449761.db2.gz VMDSGAXUNDBRDR-UHFFFAOYSA-N 0 0 347.465 3.469 10 10 EGCERN Nc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(N)cc3)c2)cc1 ZINC000090443350 203615600 /nfs/dbraw/zinc/61/56/00/203615600.db2.gz FRCGXWDENTYRDC-UHFFFAOYSA-N 0 0 348.358 3.289 10 10 EGCERN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293638556 455793388 /nfs/dbraw/zinc/79/33/88/455793388.db2.gz NTZKJJPTEAARFK-DCVWQXJKSA-N 0 0 333.856 3.354 10 10 EGCERN Cc1nc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC000190000424 455269887 /nfs/dbraw/zinc/26/98/87/455269887.db2.gz MLYUFHYKOUIRDI-HZRUHFOJSA-N 0 0 330.409 3.240 10 10 EGCERN Oc1ccccc1[C@H](Nn1cnnc1)c1ccc(Br)cc1 ZINC000000041785 452496285 /nfs/dbraw/zinc/49/62/85/452496285.db2.gz KCNBZPANJAGBSX-OAHLLOKOSA-N 0 0 345.200 3.079 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CCOc3ccccc32)cc1F ZINC000069722197 454137551 /nfs/dbraw/zinc/13/75/51/454137551.db2.gz ZVIIBBCKADYNHE-MRXNPFEDSA-N 0 0 343.402 3.215 10 10 EGCERN CC(C)N(C[C@@H](O)c1ccc(O)c(O)c1)C(=O)Nc1ccccc1 ZINC000095445335 454213894 /nfs/dbraw/zinc/21/38/94/454213894.db2.gz CKPVBTFCEBTTMJ-QGZVFWFLSA-N 0 0 330.384 3.074 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2ccccc2)c1O ZINC000072312053 454292425 /nfs/dbraw/zinc/29/24/25/454292425.db2.gz YRGGXXLXHJFZRL-UHFFFAOYSA-N 0 0 346.814 3.319 10 10 EGCERN Cc1noc(C)c1CN(C)C(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000061381513 454338625 /nfs/dbraw/zinc/33/86/25/454338625.db2.gz UOFUMOKSRSANHW-CSKARUKUSA-N 0 0 339.439 3.346 10 10 EGCERN O=c1cc(CN2CCC[C@@H]2c2ccco2)c2cc(O)c(O)cc2o1 ZINC000097135203 454413046 /nfs/dbraw/zinc/41/30/46/454413046.db2.gz UEQYJDRAIXYLAS-CYBMUJFWSA-N 0 0 327.336 3.134 10 10 EGCERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C/C2CC2)cc1 ZINC000079829942 454486327 /nfs/dbraw/zinc/48/63/27/454486327.db2.gz FNXOEBZXTMBMBC-VSRDTVRMSA-N 0 0 328.456 3.226 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1 ZINC000122236829 454515975 /nfs/dbraw/zinc/51/59/75/454515975.db2.gz VZETYUSNFYDZTO-ZBFHGGJFSA-N 0 0 348.443 3.046 10 10 EGCERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000137309352 454776509 /nfs/dbraw/zinc/77/65/09/454776509.db2.gz DOPMJIRTTIPCNE-CRALRDPISA-N 0 0 343.427 3.248 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)N(C)C[C@@H]3CCCO3)cc2)CC1 ZINC000108583813 454804290 /nfs/dbraw/zinc/80/42/90/454804290.db2.gz MYAPUUHCLGPFSF-IBGZPJMESA-N 0 0 345.487 3.243 10 10 EGCERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(N(C)CC)cc1 ZINC000167762630 454924097 /nfs/dbraw/zinc/92/40/97/454924097.db2.gz QLJCYAHLEKYYIR-RHSMWYFYSA-N 0 0 327.476 3.482 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128532502 455065166 /nfs/dbraw/zinc/06/51/66/455065166.db2.gz JQBRNSUBPCSGPC-NSHDSACASA-N 0 0 341.242 3.203 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)Cc1cnccn1 ZINC000172156626 455129491 /nfs/dbraw/zinc/12/94/91/455129491.db2.gz GCSPHXMZANYOIU-UHFFFAOYSA-N 0 0 334.423 3.465 10 10 EGCERN O=C(NCc1ccc(Cl)cn1)NCc1c(O)ccc2c1CCCC2 ZINC000181086471 455284833 /nfs/dbraw/zinc/28/48/33/455284833.db2.gz ZPRRMILMHABXKJ-UHFFFAOYSA-N 0 0 345.830 3.319 10 10 EGCERN COc1cc(O)c(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1OC ZINC000245548765 455327887 /nfs/dbraw/zinc/32/78/87/455327887.db2.gz YJNIQMVLIBTOAD-RHSMWYFYSA-N 0 0 343.423 3.371 10 10 EGCERN COc1ccc(N(Cc2ccco2)C[C@@H](O)C(F)(F)F)cc1F ZINC000181763633 455380105 /nfs/dbraw/zinc/38/01/05/455380105.db2.gz PIFYYUWDMDLMDR-CQSZACIVSA-N 0 0 333.281 3.357 10 10 EGCERN C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(F)c(F)c1[O-] ZINC000191199324 455462707 /nfs/dbraw/zinc/46/27/07/455462707.db2.gz GNCNXRYPUSKNJW-NSHDSACASA-N 0 0 330.338 3.102 10 10 EGCERN C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000184889206 455467200 /nfs/dbraw/zinc/46/72/00/455467200.db2.gz ZWSHDLHBAPICSH-JTQLQIEISA-N 0 0 331.243 3.362 10 10 EGCERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000191412042 455484151 /nfs/dbraw/zinc/48/41/51/455484151.db2.gz ITZRGJNLAFXFBG-VQIMIIECSA-N 0 0 330.472 3.450 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCO[C@H]3C)cc2)CC1 ZINC000191476141 455488710 /nfs/dbraw/zinc/48/87/10/455488710.db2.gz PSBSCBZFXZYXEC-LPHOPBHVSA-N 0 0 330.472 3.354 10 10 EGCERN Oc1cc2c(cc1CN1CC3(CCOCC3)c3ccccc31)OCO2 ZINC000191618567 455504464 /nfs/dbraw/zinc/50/44/64/455504464.db2.gz YAHBZNOZZMHVRF-UHFFFAOYSA-N 0 0 339.391 3.189 10 10 EGCERN COc1cc(N(C)C[C@H](O)CCc2ccccc2)cc(OC)c1OC ZINC000182411225 455508476 /nfs/dbraw/zinc/50/84/76/455508476.db2.gz COXWPABDCCRTBK-QGZVFWFLSA-N 0 0 345.439 3.142 10 10 EGCERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC000182479205 455521766 /nfs/dbraw/zinc/52/17/66/455521766.db2.gz XKTCBQOFFMLNHB-HIFRSBDPSA-N 0 0 341.407 3.433 10 10 EGCERN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])N1CCOCC1 ZINC000192634751 455658768 /nfs/dbraw/zinc/65/87/68/455658768.db2.gz OXSOMYACFGGRGT-MNOVXSKESA-N 0 0 333.259 3.070 10 10 EGCERN CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3O)C2)ncn1 ZINC000248391747 455712051 /nfs/dbraw/zinc/71/20/51/455712051.db2.gz VIKAUABZFBNOSA-ZBFHGGJFSA-N 0 0 326.444 3.064 10 10 EGCERN COc1ccc(CC2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000192999314 455732815 /nfs/dbraw/zinc/73/28/15/455732815.db2.gz FDIZZPOHSOFOSI-UHFFFAOYSA-N 0 0 341.407 3.201 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccc(F)c(F)c1 ZINC000186415221 455762968 /nfs/dbraw/zinc/76/29/68/455762968.db2.gz INJGWCYRRUSULS-LBPRGKRZSA-N 0 0 349.377 3.446 10 10 EGCERN CCc1noc(C)c1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000293804972 455798640 /nfs/dbraw/zinc/79/86/40/455798640.db2.gz DFDZGDLLRSSENR-UHFFFAOYSA-N 0 0 338.411 3.278 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000293987929 455802239 /nfs/dbraw/zinc/80/22/39/455802239.db2.gz RUHBAMLICZONMI-SFHVURJKSA-N 0 0 335.806 3.321 10 10 EGCERN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186631683 455808097 /nfs/dbraw/zinc/80/80/97/455808097.db2.gz KWQJNJWIDPGUTR-UHFFFAOYSA-N 0 0 340.383 3.033 10 10 EGCERN C=C1NS(=O)(=O)N=C(C)C1=NNc1ccc2c(c1)CCC(C)(C)O2 ZINC000252624107 455824092 /nfs/dbraw/zinc/82/40/92/455824092.db2.gz PGLYOGCLEFSZTR-UHFFFAOYSA-N 0 0 348.428 3.414 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCOC[C@@H]3C)c2C)cc1 ZINC000278365200 455830829 /nfs/dbraw/zinc/83/08/29/455830829.db2.gz BPQFNUSUXCPASB-DJJJIMSYSA-N 0 0 342.439 3.258 10 10 EGCERN O=C(c1cncc(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000295270776 455844327 /nfs/dbraw/zinc/84/43/27/455844327.db2.gz OMCGUSDXSNQPOT-MRXNPFEDSA-N 0 0 346.814 3.262 10 10 EGCERN Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)sc2nccn12 ZINC000269943168 455855181 /nfs/dbraw/zinc/85/51/81/455855181.db2.gz NZBOMOMIDKAOIY-UHFFFAOYSA-N 0 0 340.452 3.017 10 10 EGCERN CC(C)c1nnc(CN2CCCc3cc(OC(F)F)ccc32)n1C ZINC000195106232 455921978 /nfs/dbraw/zinc/92/19/78/455921978.db2.gz MEUUPEYYCJDQIM-UHFFFAOYSA-N 0 0 336.386 3.493 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3cn[nH]c3)c2C)cc1 ZINC000270466393 455960829 /nfs/dbraw/zinc/96/08/29/455960829.db2.gz MTYLAGGVFQTPLZ-CYBMUJFWSA-N 0 0 338.411 3.317 10 10 EGCERN CC[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cccc(Cl)c1[O-] ZINC000286967542 456058030 /nfs/dbraw/zinc/05/80/30/456058030.db2.gz IFFUJIULKWOPIN-UGFHNGPFSA-N 0 0 329.868 3.244 10 10 EGCERN CCOCc1nc([C@H](C)N[C@H](C)c2cc(Cl)ccc2O)no1 ZINC000290092015 456237984 /nfs/dbraw/zinc/23/79/84/456237984.db2.gz HLYUHCSNFAILJR-ZJUUUORDSA-N 0 0 325.796 3.377 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCC=C(Br)C2)cc1OC ZINC000281626099 456277885 /nfs/dbraw/zinc/27/78/85/456277885.db2.gz KVCLQKNGXSHXHR-UHFFFAOYSA-N 0 0 343.177 3.101 10 10 EGCERN CCN(CC)c1ccc(CN2C(=O)[C@@H]3[C@@H]4CCC[C@@H]4CN3C2=O)cc1 ZINC000277473081 456836937 /nfs/dbraw/zinc/83/69/37/456836937.db2.gz UZSUOHYDLIBMMJ-NXHRZFHOSA-N 0 0 341.455 3.096 10 10 EGCERN Cn1cc(-c2c[nH]cc2C(=O)N2CC3(CCC3)c3ccccc32)cn1 ZINC000360497375 457317073 /nfs/dbraw/zinc/31/70/73/457317073.db2.gz ZWHCVIHNUVDVLG-UHFFFAOYSA-N 0 0 332.407 3.497 10 10 EGCERN FC(F)Oc1nccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000360879090 457402478 /nfs/dbraw/zinc/40/24/78/457402478.db2.gz ANQJTMUMQTZSQL-UHFFFAOYSA-N 0 0 343.337 3.248 10 10 EGCERN CCOc1ccc(O)c(CN2CCCC[C@H]2c2noc(CC)n2)c1 ZINC000371403872 457913756 /nfs/dbraw/zinc/91/37/56/457913756.db2.gz DDESDGIHEKNIIE-HNNXBMFYSA-N 0 0 331.416 3.464 10 10 EGCERN CS(=O)(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000368611862 458049669 /nfs/dbraw/zinc/04/96/69/458049669.db2.gz JDRYDCVNXQCJFQ-UHFFFAOYSA-N 0 0 348.855 3.432 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCC(F)(F)CC1 ZINC000528996099 459820293 /nfs/dbraw/zinc/82/02/93/459820293.db2.gz LQKKLVFSAKZSER-NSHDSACASA-N 0 0 327.371 3.361 10 10 EGCERN CCOC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000727410748 574665588 /nfs/dbraw/zinc/66/55/88/574665588.db2.gz SHKIMBRWNIWHNE-UHFFFAOYSA-N 0 0 346.402 3.305 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)C(=O)c2ccc(F)cc2)cc1 ZINC000730109601 574920632 /nfs/dbraw/zinc/92/06/32/574920632.db2.gz ITLDZVQLYKFKDP-UHFFFAOYSA-N 0 0 328.387 3.171 10 10 EGCERN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)C1=CC(=O)CS1 ZINC000731873990 575214619 /nfs/dbraw/zinc/21/46/19/575214619.db2.gz ZPKNKIXGRCYYMW-UHFFFAOYSA-N 0 0 326.381 3.369 10 10 EGCERN Cc1ccc(C(=O)NCCCSc2nccs2)c(Cl)n1 ZINC000733972903 575419513 /nfs/dbraw/zinc/41/95/13/575419513.db2.gz OBHXOEZQZCPZDK-UHFFFAOYSA-N 0 0 327.862 3.412 10 10 EGCERN CCN1C(=O)/C(=C\c2nccn2Cc2ccccc2)SC1=S ZINC000734096488 575439510 /nfs/dbraw/zinc/43/95/10/575439510.db2.gz NIIRZYURTRJOOJ-JLHYYAGUSA-N 0 0 329.450 3.153 10 10 EGCERN COC(=O)/C=C\c1ccc(N(CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000734481744 575492441 /nfs/dbraw/zinc/49/24/41/575492441.db2.gz DSPSQDGWPPQDAI-CLFYSBASSA-N 0 0 330.384 3.407 10 10 EGCERN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)[nH]1 ZINC000735518691 575677649 /nfs/dbraw/zinc/67/76/49/575677649.db2.gz JJUUCGRDXUMXAI-INIZCTEOSA-N 0 0 328.412 3.159 10 10 EGCERN CO[C@@H](C)CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C ZINC000741092116 576654908 /nfs/dbraw/zinc/65/49/08/576654908.db2.gz VTRDLEGCVVNONX-INIZCTEOSA-N 0 0 331.460 3.018 10 10 EGCERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000151389153 1293921631 /nfs/dbraw/zinc/92/16/31/1293921631.db2.gz IODSJJXEPVEPTE-HNNXBMFYSA-N 0 0 341.455 3.231 10 10 EGCERN COc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000179880308 1294836550 /nfs/dbraw/zinc/83/65/50/1294836550.db2.gz TWXNNHONVSDLCT-UHFFFAOYSA-N 0 0 325.408 3.496 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H](OC)C2)cc1F ZINC000191380282 1295675529 /nfs/dbraw/zinc/67/55/29/1295675529.db2.gz XQWWLUWOPVRBTC-CABCVRRESA-N 0 0 337.439 3.039 10 10 EGCERN CCN(C)c1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000191469154 1295681916 /nfs/dbraw/zinc/68/19/16/1295681916.db2.gz GLVKAYQHRNKNOR-UHFFFAOYSA-N 0 0 345.443 3.200 10 10 EGCERN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000192155421 1295737517 /nfs/dbraw/zinc/73/75/17/1295737517.db2.gz VIYFQWVEBZHCGQ-UHFFFAOYSA-N 0 0 327.402 3.362 10 10 EGCERN O=C(c1ccc(N2CCCCCC2)nc1)N1Cc2cccc(O)c2C1 ZINC000871198537 1296268811 /nfs/dbraw/zinc/26/88/11/1296268811.db2.gz JKIOIMKBDBKAHK-UHFFFAOYSA-N 0 0 337.423 3.324 10 10 EGCERN C[C@H](C(=O)N1Cc2cccc(O)c2C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC000871204802 1296271466 /nfs/dbraw/zinc/27/14/66/1296271466.db2.gz LGPFFYOHTLXUFY-GFCCVEGCSA-N 0 0 346.427 3.022 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)/C=C\c2cncc(O)c2)cc1F ZINC000255131621 1296503522 /nfs/dbraw/zinc/50/35/22/1296503522.db2.gz PVROAAIKGOZNCK-VURMDHGXSA-N 0 0 343.402 3.102 10 10 EGCERN CN1CCC([N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708138449 1298235535 /nfs/dbraw/zinc/23/55/35/1298235535.db2.gz ASZMHZWCFSAQBV-UHFFFAOYSA-N 0 0 347.684 3.334 10 10 EGCERN O=C1N=C(N2CCCCC2)S/C1=C/c1cccc2c1CCOC2 ZINC000887276885 1303729543 /nfs/dbraw/zinc/72/95/43/1303729543.db2.gz CJMQOTQRJNQPJO-LFIBNONCSA-N 0 0 328.437 3.216 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3cccnc3C(F)F)ccc21 ZINC000888578187 1304204961 /nfs/dbraw/zinc/20/49/61/1304204961.db2.gz ICTMPNXULTUITR-UHFFFAOYSA-N 0 0 331.366 3.332 10 10 EGCERN CC(C)c1c[nH]c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000893879526 1306110681 /nfs/dbraw/zinc/11/06/81/1306110681.db2.gz IFTHDVGXOKDQEO-INIZCTEOSA-N 0 0 329.444 3.420 10 10 EGCERN COc1cc(C)cc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1O ZINC000895455362 1309346924 /nfs/dbraw/zinc/34/69/24/1309346924.db2.gz WRJKZEAYIZASOT-QGZVFWFLSA-N 0 0 339.439 3.089 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cncc(F)c1Cl ZINC000895710638 1309481033 /nfs/dbraw/zinc/48/10/33/1309481033.db2.gz KFVOJJPUUMJFJS-UHFFFAOYSA-N 0 0 333.794 3.404 10 10 EGCERN C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)c(F)cc3[O-])O2)CO1 ZINC000895818990 1309534943 /nfs/dbraw/zinc/53/49/43/1309534943.db2.gz HCNKCDZNRNIGDV-NSODJVPESA-N 0 0 329.799 3.001 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1oc(C(=O)OC)cc1C ZINC000896059775 1309679472 /nfs/dbraw/zinc/67/94/72/1309679472.db2.gz WJIPRMMJDSABHW-UHFFFAOYSA-N 0 0 331.368 3.133 10 10 EGCERN CC(C)c1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)on1 ZINC000896362051 1309823146 /nfs/dbraw/zinc/82/31/46/1309823146.db2.gz GOBDMDXSCAULJP-UHFFFAOYSA-N 0 0 332.381 3.354 10 10 EGCERN COc1ccc(CNC(=O)[C@@H](c2ccncc2)C2CCCC2)c(O)c1 ZINC000897631230 1310416733 /nfs/dbraw/zinc/41/67/33/1310416733.db2.gz SUIWOULHMXMGIM-LJQANCHMSA-N 0 0 340.423 3.386 10 10 EGCERN CC(C)OC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000899192104 1310972653 /nfs/dbraw/zinc/97/26/53/1310972653.db2.gz HCZXXQYVEHNOOJ-UHFFFAOYSA-N 0 0 335.425 3.390 10 10 EGCERN Cc1cc(CC(=O)N[C@H]2CCn3cncc32)c(C)n1-c1ccccc1 ZINC000857976142 1328645599 /nfs/dbraw/zinc/64/55/99/1328645599.db2.gz YHAJLLCCKZQIJZ-SFHVURJKSA-N 0 0 334.423 3.094 10 10 EGCERN COc1cc(N(C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc(OC)c1OC ZINC000929708807 1328674206 /nfs/dbraw/zinc/67/42/06/1328674206.db2.gz ZDHKELPIDXPEAI-LMKPVCQUSA-N 0 0 327.371 3.440 10 10 EGCERN CCOc1ccc(CNC(=O)NCc2cc(C)ccc2O)cc1F ZINC000858196971 1328709084 /nfs/dbraw/zinc/70/90/84/1328709084.db2.gz ARMFHLVWUDZWNU-UHFFFAOYSA-N 0 0 332.375 3.238 10 10 EGCERN COc1nccnc1CNCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858293736 1328731402 /nfs/dbraw/zinc/73/14/02/1328731402.db2.gz PCNJKQZXQMLCCC-UHFFFAOYSA-N 0 0 336.439 3.491 10 10 EGCERN Fc1nccnc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000858428696 1328759924 /nfs/dbraw/zinc/75/99/24/1328759924.db2.gz XJSUUOOIHFFVAZ-LLVKDONJSA-N 0 0 338.333 3.298 10 10 EGCERN CC1(C)C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C(C)(C)O1 ZINC000858451778 1328766011 /nfs/dbraw/zinc/76/60/11/1328766011.db2.gz BEHHGZKJFGGCGW-KRWDZBQOSA-N 0 0 330.472 3.497 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858464230 1328768284 /nfs/dbraw/zinc/76/82/84/1328768284.db2.gz KCLMGYDIWRHNHB-BBRMVZONSA-N 0 0 333.432 3.358 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c1 ZINC000858464196 1328768615 /nfs/dbraw/zinc/76/86/15/1328768615.db2.gz IXDSERIHAMZAGI-WMLDXEAASA-N 0 0 346.471 3.236 10 10 EGCERN O=C(C[C@@H]1CC[C@@H](C2CC2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000930204848 1328810542 /nfs/dbraw/zinc/81/05/42/1328810542.db2.gz DEGXWWDVBOTPPR-OALUTQOASA-N 0 0 328.456 3.251 10 10 EGCERN C[C@@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCCCO1 ZINC000914180826 1319259100 /nfs/dbraw/zinc/25/91/00/1319259100.db2.gz XPYPSWUPGHUQNS-IBGZPJMESA-N 0 0 331.460 3.045 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000914335489 1319299922 /nfs/dbraw/zinc/29/99/22/1319299922.db2.gz IETWGOQPINEXDJ-OAHLLOKOSA-N 0 0 348.349 3.384 10 10 EGCERN COc1ccc(N2CCCN(C(=O)c3cc(C)c(C)cn3)CC2)cc1 ZINC000930309061 1328830399 /nfs/dbraw/zinc/83/03/99/1328830399.db2.gz DWYIYJVDBUPQEJ-UHFFFAOYSA-N 0 0 339.439 3.060 10 10 EGCERN CCO[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000915503793 1319492900 /nfs/dbraw/zinc/49/29/00/1319492900.db2.gz ZQMJYEKYNNNXQE-CQSZACIVSA-N 0 0 347.386 3.384 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000916142982 1319608598 /nfs/dbraw/zinc/60/85/98/1319608598.db2.gz OXAHKCFPUUCUGA-ROUUACIJSA-N 0 0 344.386 3.251 10 10 EGCERN C[C@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000858787409 1328861302 /nfs/dbraw/zinc/86/13/02/1328861302.db2.gz CZZJIWZDCSZEEU-CHWSQXEVSA-N 0 0 344.377 3.289 10 10 EGCERN CC(=O)OCCc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000930772483 1328966344 /nfs/dbraw/zinc/96/63/44/1328966344.db2.gz ZYMSTJSTKHSPPU-UHFFFAOYSA-N 0 0 340.379 3.046 10 10 EGCERN COc1ccc2c(c1)CC[C@@H]2C(=O)NCCCSc1nccs1 ZINC000859350669 1328973992 /nfs/dbraw/zinc/97/39/92/1328973992.db2.gz FBNYQIOWPNTFLQ-HNNXBMFYSA-N 0 0 348.493 3.480 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(F)cc2C)c1 ZINC000918746658 1321989361 /nfs/dbraw/zinc/98/93/61/1321989361.db2.gz ZYHUTKAVVIWXDD-LBPRGKRZSA-N 0 0 332.375 3.409 10 10 EGCERN C[C@H](NC(=O)N1CCC[C@@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000922056187 1322446261 /nfs/dbraw/zinc/44/62/61/1322446261.db2.gz WACYQCUSZHCSFT-KBXCAEBGSA-N 0 0 341.459 3.094 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c1 ZINC000922961399 1322662877 /nfs/dbraw/zinc/66/28/77/1322662877.db2.gz LEHSPNZNDYRKKU-SFHVURJKSA-N 0 0 328.368 3.096 10 10 EGCERN O=C(N[C@H](c1nccs1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000931557805 1329143444 /nfs/dbraw/zinc/14/34/44/1329143444.db2.gz JBCIGIBJKGMLSX-LLVKDONJSA-N 0 0 343.330 3.178 10 10 EGCERN Cc1ccccc1CO[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000860693890 1329345278 /nfs/dbraw/zinc/34/52/78/1329345278.db2.gz HAMHCPGLAZULQM-GJZGRUSLSA-N 0 0 343.423 3.059 10 10 EGCERN CC[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000926977969 1327805543 /nfs/dbraw/zinc/80/55/43/1327805543.db2.gz FDDHSKDPMXSIKM-TVQRCGJNSA-N 0 0 331.243 3.266 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000927071233 1327841810 /nfs/dbraw/zinc/84/18/10/1327841810.db2.gz XMXBGYSEYHEYDO-QITLCBANSA-N 0 0 333.428 3.035 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)NCC[C@H]2CCC3(CCC3)O2)cc1 ZINC000927728325 1328122065 /nfs/dbraw/zinc/12/20/65/1328122065.db2.gz OJJOIOXMXAAJHW-GOSISDBHSA-N 0 0 345.487 3.386 10 10 EGCERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC000928712012 1328406963 /nfs/dbraw/zinc/40/69/63/1328406963.db2.gz NCNAWNUYAXTUBS-BXUZGUMPSA-N 0 0 342.370 3.056 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2(C(F)F)CC2)cc1 ZINC000861547953 1329425627 /nfs/dbraw/zinc/42/56/27/1329425627.db2.gz KMCOOPOOPNLNRR-UHFFFAOYSA-N 0 0 346.377 3.363 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@](C)(CO)C(C)C)c1 ZINC000861771406 1329440920 /nfs/dbraw/zinc/44/09/20/1329440920.db2.gz JSJYQIXGCPCROJ-HXUWFJFHSA-N 0 0 342.439 3.043 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2Cc3c[nH]nc3C2)ccc1C ZINC000861797066 1329442193 /nfs/dbraw/zinc/44/21/93/1329442193.db2.gz NUDSFXJYSMIPJE-UHFFFAOYSA-N 0 0 348.406 3.094 10 10 EGCERN CC(C)(C(=O)NCc1ccc2cccnc2c1O)C1CCOCC1 ZINC000862026561 1329455695 /nfs/dbraw/zinc/45/56/95/1329455695.db2.gz SPFRRQSAPKGYTJ-UHFFFAOYSA-N 0 0 328.412 3.009 10 10 EGCERN Cc1ccc(O)c(CNC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862756975 1329507010 /nfs/dbraw/zinc/50/70/10/1329507010.db2.gz CGTJZLWHVNZIDH-CYBMUJFWSA-N 0 0 336.432 3.010 10 10 EGCERN O=C1N=C(N2CCCCC2)S/C1=C/c1ccnn1CC1CCC1 ZINC000864365464 1329610679 /nfs/dbraw/zinc/61/06/79/1329610679.db2.gz UTKLTAHVUNFUQB-RVDMUPIBSA-N 0 0 330.457 3.139 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000865027547 1329662649 /nfs/dbraw/zinc/66/26/49/1329662649.db2.gz URIRDOQPRRMJMT-OAHLLOKOSA-N 0 0 340.471 3.194 10 10 EGCERN CCOC1CC2(C[C@@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000865032209 1329663222 /nfs/dbraw/zinc/66/32/22/1329663222.db2.gz USPYJXQYURINGR-OBXNSHGQSA-N 0 0 342.483 3.498 10 10 EGCERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC2CSC2)cc1 ZINC000865060548 1329666117 /nfs/dbraw/zinc/66/61/17/1329666117.db2.gz QUIKUSGSRXTGPF-SFHVURJKSA-N 0 0 348.512 3.013 10 10 EGCERN COC(=O)c1cc(OCc2cnc(Cl)s2)ccc1N(C)C ZINC000865395856 1329691362 /nfs/dbraw/zinc/69/13/62/1329691362.db2.gz DGBWDNNNKIBDBQ-UHFFFAOYSA-N 0 0 326.805 3.228 10 10 EGCERN Cc1ccnc(CNCc2ccc3c(c2)CCO3)c1Br ZINC000865440323 1329697736 /nfs/dbraw/zinc/69/77/36/1329697736.db2.gz HRDQJSNPZOSAMA-UHFFFAOYSA-N 0 0 333.229 3.377 10 10 EGCERN CCn1cnc2c1nc(Cl)nc2N[C@@H](C)c1cc(OC)ccc1O ZINC000865508064 1329706796 /nfs/dbraw/zinc/70/67/96/1329706796.db2.gz LHEPNJIIRWBEBU-VIFPVBQESA-N 0 0 347.806 3.387 10 10 EGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000865952064 1329754087 /nfs/dbraw/zinc/75/40/87/1329754087.db2.gz AOEZUSKKZKSYSF-RXVVDRJESA-N 0 0 342.483 3.092 10 10 EGCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000866596304 1330131553 /nfs/dbraw/zinc/13/15/53/1330131553.db2.gz CWJAMWOATBGFDY-MJGOQNOKSA-N 0 0 325.408 3.141 10 10 EGCERN C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])c1ccnn1C ZINC000866615546 1330133462 /nfs/dbraw/zinc/13/34/62/1330133462.db2.gz VITAWABOHVRQEY-IUCAKERBSA-N 0 0 342.212 3.439 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCc2ccnc(F)c2)cc1 ZINC000868113187 1330250676 /nfs/dbraw/zinc/25/06/76/1330250676.db2.gz VJKNFAJUPBROKZ-UHFFFAOYSA-N 0 0 330.407 3.066 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCn3nccc32)cc1 ZINC000868111765 1330250783 /nfs/dbraw/zinc/25/07/83/1330250783.db2.gz HPHXMJWZDSGEND-KRWDZBQOSA-N 0 0 341.459 3.064 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3c(C)cccc3F)CC2)cc1 ZINC001323962038 1387501455 /nfs/dbraw/zinc/50/14/55/1387501455.db2.gz JFYSPKPSOBNUNL-UHFFFAOYSA-N 0 0 328.387 3.105 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@@H](OC)C2)cc1 ZINC001324447513 1387624876 /nfs/dbraw/zinc/62/48/76/1387624876.db2.gz LQNNBZMNDZIRNX-SJLPKXTDSA-N 0 0 333.476 3.242 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCC1(CO)CCC1 ZINC001186089907 1387865806 /nfs/dbraw/zinc/86/58/06/1387865806.db2.gz YIRRFHSCHDTEEH-UHFFFAOYSA-N 0 0 340.379 3.400 10 10 EGCERN CCN(C)c1ccc(CN(C)Cc2cnn(-c3ccccc3)n2)cc1 ZINC001191164671 1367436483 /nfs/dbraw/zinc/43/64/83/1367436483.db2.gz IYRULHIGBNHMAY-UHFFFAOYSA-N 0 0 335.455 3.355 10 10 EGCERN C[C@H]1COCCN1CCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001191712253 1367567939 /nfs/dbraw/zinc/56/79/39/1367567939.db2.gz VJJKXFPRWWMLET-ZDUSSCGKSA-N 0 0 344.377 3.059 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC001325977676 1388099019 /nfs/dbraw/zinc/09/90/19/1388099019.db2.gz XAXFWRXBSPKQBW-WOVMCDHWSA-N 0 0 333.476 3.206 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC001326157296 1388120693 /nfs/dbraw/zinc/12/06/93/1388120693.db2.gz XTVWMOWJELMXPU-JKSUJKDBSA-N 0 0 334.435 3.262 10 10 EGCERN O=C(CC1CCC1)NCc1cc(NC(=O)CC2CCC2)ccc1O ZINC001119618627 1371376100 /nfs/dbraw/zinc/37/61/00/1371376100.db2.gz PYVSXIVBTQOHPT-UHFFFAOYSA-N 0 0 330.428 3.327 10 10 EGCERN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1Cc2cccc(O)c2C1 ZINC001119833984 1371411480 /nfs/dbraw/zinc/41/14/80/1371411480.db2.gz FQUWIVVRSNKKLY-MRXNPFEDSA-N 0 0 340.379 3.108 10 10 EGCERN CN1CCN(c2ccc(CN3CC(C)(CC(F)F)C3)cc2F)CC1 ZINC001326339570 1388159917 /nfs/dbraw/zinc/15/99/17/1388159917.db2.gz YRJKUMLKJYKFOY-UHFFFAOYSA-N 0 0 341.421 3.055 10 10 EGCERN CC(C)c1cccc(O[C@@H](C)C(=O)NCc2cccc(O)c2O)c1 ZINC001123977623 1372644735 /nfs/dbraw/zinc/64/47/35/1372644735.db2.gz KCSOUDMRMKEGRX-ZDUSSCGKSA-N 0 0 329.396 3.305 10 10 EGCERN Cc1cc(CC(=O)Nc2cccc(C(N)=O)c2)c(C)n1-c1ccccc1 ZINC001124090475 1372671386 /nfs/dbraw/zinc/67/13/86/1372671386.db2.gz PBWLUZXOGAMNOR-UHFFFAOYSA-N 0 0 347.418 3.374 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ncc(Cl)cn1 ZINC001124549317 1372711361 /nfs/dbraw/zinc/71/13/61/1372711361.db2.gz HPEVOCMIAUKILO-UHFFFAOYSA-N 0 0 330.819 3.002 10 10 EGCERN CN(C)c1ccc(CNC(=O)Cn2ccc3ccc(F)cc32)cc1F ZINC001125469450 1372792448 /nfs/dbraw/zinc/79/24/48/1372792448.db2.gz PLWUWYSAAHKWGO-UHFFFAOYSA-N 0 0 343.377 3.302 10 10 EGCERN CC[C@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001126242463 1372951952 /nfs/dbraw/zinc/95/19/52/1372951952.db2.gz RDJCUAJTPDJGQH-SFHVURJKSA-N 0 0 326.440 3.274 10 10 EGCERN COc1ccc(N2CCN(C(=O)C[C@@H](C)CC(C)C)CC2)c(OC)c1 ZINC001131804765 1373812406 /nfs/dbraw/zinc/81/24/06/1373812406.db2.gz PLLGZMXYVQCNHY-INIZCTEOSA-N 0 0 348.487 3.425 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCOC(C)(C)[C@H]1C ZINC001230194340 1375964981 /nfs/dbraw/zinc/96/49/81/1375964981.db2.gz AAEJLEZJZSWTDH-JKSUJKDBSA-N 0 0 347.503 3.201 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC001135774043 1377208079 /nfs/dbraw/zinc/20/80/79/1377208079.db2.gz ZIXCLDVIWJKKHL-UHFFFAOYSA-N 0 0 327.355 3.095 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cc(C=O)ccc2OC)cc1 ZINC001136300125 1377373907 /nfs/dbraw/zinc/37/39/07/1377373907.db2.gz GQSGZWLNTDUWGT-UHFFFAOYSA-N 0 0 340.423 3.284 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001136300364 1377374372 /nfs/dbraw/zinc/37/43/72/1377374372.db2.gz NUKBFFZTOXVROX-UHFFFAOYSA-N 0 0 328.412 3.182 10 10 EGCERN COc1cccc2[nH]c(C(=O)NCc3ccc4c(c3)CCCN4C)cc21 ZINC001136436861 1377392983 /nfs/dbraw/zinc/39/29/83/1377392983.db2.gz MZTJGQWUALKKSP-UHFFFAOYSA-N 0 0 349.434 3.489 10 10 EGCERN O=C(NCCCSc1nccs1)c1ccccc1-c1cn[nH]c1 ZINC001136661400 1377413902 /nfs/dbraw/zinc/41/39/02/1377413902.db2.gz CXNPFYVNJQNUGI-UHFFFAOYSA-N 0 0 344.465 3.445 10 10 EGCERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001137145333 1377485254 /nfs/dbraw/zinc/48/52/54/1377485254.db2.gz AJJRXBJNJITVDN-NSPYISDASA-N 0 0 329.371 3.219 10 10 EGCERN COc1cccc(CNC(=O)c2ccn(C)c2-c2ccccc2)c1O ZINC001137473614 1377553894 /nfs/dbraw/zinc/55/38/94/1377553894.db2.gz PHLJCQRVXZPRSX-UHFFFAOYSA-N 0 0 336.391 3.336 10 10 EGCERN C[C@H](NC(=O)c1cc(F)c(C=O)cc1F)c1ccc(N(C)C)cc1 ZINC001138363579 1377710596 /nfs/dbraw/zinc/71/05/96/1377710596.db2.gz OOFFYDNESXICQQ-NSHDSACASA-N 0 0 332.350 3.334 10 10 EGCERN Cc1cc(C(=O)NOC(C)(C)CO)c(C)n1-c1ccc(Cl)cc1 ZINC001141025134 1378212077 /nfs/dbraw/zinc/21/20/77/1378212077.db2.gz LNEQBHPSSBJJAW-UHFFFAOYSA-N 0 0 336.819 3.180 10 10 EGCERN Nc1c(Cl)cccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001141537763 1378341206 /nfs/dbraw/zinc/34/12/06/1378341206.db2.gz AHKGURLOKKDMEB-UHFFFAOYSA-N 0 0 329.831 3.452 10 10 EGCERN CC(C)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] ZINC001142533444 1378454474 /nfs/dbraw/zinc/45/44/74/1378454474.db2.gz KODFPCOVYIWTNE-UHFFFAOYSA-N 0 0 330.340 3.059 10 10 EGCERN COc1ccc(Cl)cc1C(C)(C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001142672266 1378473807 /nfs/dbraw/zinc/47/38/07/1378473807.db2.gz SURMVYVZYBQRPO-UHFFFAOYSA-N 0 0 349.814 3.354 10 10 EGCERN Cc1ccc(C[C@@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001142783508 1378486590 /nfs/dbraw/zinc/48/65/90/1378486590.db2.gz YRZIMBGIEOTFSQ-SFHVURJKSA-N 0 0 339.435 3.430 10 10 EGCERN Nc1cc(F)ccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001142844067 1378493872 /nfs/dbraw/zinc/49/38/72/1378493872.db2.gz KFHOKXSOGOPODB-UHFFFAOYSA-N 0 0 327.403 3.328 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H]2C(F)(F)F)cc1 ZINC001143772624 1378644524 /nfs/dbraw/zinc/64/45/24/1378644524.db2.gz OEGRVGQIRAUEMW-MRXNPFEDSA-N 0 0 338.329 3.455 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(Oc2ccccc2)C1 ZINC001144123921 1378685268 /nfs/dbraw/zinc/68/52/68/1378685268.db2.gz RTBMXGAZPQECGN-UHFFFAOYSA-N 0 0 341.388 3.216 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2c(O)cccc2OC)cc1F ZINC001144978948 1378786401 /nfs/dbraw/zinc/78/64/01/1378786401.db2.gz WPSCJJDOBLFKAU-UHFFFAOYSA-N 0 0 346.402 3.316 10 10 EGCERN C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccccc1O ZINC001151885829 1379810505 /nfs/dbraw/zinc/81/05/05/1379810505.db2.gz JLZJIGKFTVBQBG-SNVBAGLBSA-N 0 0 325.324 3.273 10 10 EGCERN Cc1c(C(=O)N[C@H](C)c2ccccc2O)nnn1-c1cccc(C)c1 ZINC001151886222 1379810828 /nfs/dbraw/zinc/81/08/28/1379810828.db2.gz ZYEKHEIZSCYECJ-CYBMUJFWSA-N 0 0 336.395 3.081 10 10 EGCERN COc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc([N+](=O)[O-])c1C ZINC001151892043 1379811701 /nfs/dbraw/zinc/81/17/01/1379811701.db2.gz GGAPCKYYPGKREA-NSHDSACASA-N 0 0 330.340 3.108 10 10 EGCERN CCC(=CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)CC ZINC001152400811 1379927233 /nfs/dbraw/zinc/92/72/33/1379927233.db2.gz GBLRDEYXRWCXLN-UHFFFAOYSA-N 0 0 339.819 3.294 10 10 EGCERN O=C(NCc1cccc(O)c1O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001153793152 1380130964 /nfs/dbraw/zinc/13/09/64/1380130964.db2.gz YTVTWJKYQDXRPL-UHFFFAOYSA-N 0 0 343.770 3.071 10 10 EGCERN COc1ccc2oc(C)c(C(=O)NCc3cc(O)ccc3O)c2c1 ZINC001153879116 1380148291 /nfs/dbraw/zinc/14/82/91/1380148291.db2.gz FVRDKCLTPLYOMN-UHFFFAOYSA-N 0 0 327.336 3.091 10 10 EGCERN CC(C)c1ccc(OCCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001153879395 1380148365 /nfs/dbraw/zinc/14/83/65/1380148365.db2.gz NAMOAMKPVUZVGK-UHFFFAOYSA-N 0 0 329.396 3.307 10 10 EGCERN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccncc1Br ZINC001154148525 1380216534 /nfs/dbraw/zinc/21/65/34/1380216534.db2.gz HBXQVEAOBDRVLW-SSDOTTSWSA-N 0 0 327.203 3.102 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(C)C3(C)C)C2)cc1 ZINC001328087263 1388667782 /nfs/dbraw/zinc/66/77/82/1388667782.db2.gz WBLBWZCREPITBT-AWEZNQCLSA-N 0 0 331.460 3.104 10 10 EGCERN Cc1cc(O[C@@H](C)C(=O)NCc2c(O)cccc2O)ccc1Cl ZINC001156880993 1380716491 /nfs/dbraw/zinc/71/64/91/1380716491.db2.gz KYFZBOLUNZNLML-NSHDSACASA-N 0 0 335.787 3.143 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cccc(OC2CCCC2)c1 ZINC001156880763 1380716655 /nfs/dbraw/zinc/71/66/55/1380716655.db2.gz AAHVUSDDSAROOF-UHFFFAOYSA-N 0 0 327.380 3.349 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cc(C(F)(F)F)n[nH]2)cc1 ZINC001291711733 1382151622 /nfs/dbraw/zinc/15/16/22/1382151622.db2.gz VFWTUXZDXPENNV-UHFFFAOYSA-N 0 0 340.349 3.205 10 10 EGCERN CCc1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001292939756 1382234972 /nfs/dbraw/zinc/23/49/72/1382234972.db2.gz IFBZZKLSORFQTD-KGLIPLIRSA-N 0 0 345.466 3.329 10 10 EGCERN CCC(C)(C)[C@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001293143739 1382262125 /nfs/dbraw/zinc/26/21/25/1382262125.db2.gz BOCFOMRJSHZNDE-GOSISDBHSA-N 0 0 332.488 3.336 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC001161121004 1382306149 /nfs/dbraw/zinc/30/61/49/1382306149.db2.gz LDQIUXIBBHBPSZ-YOEHRIQHSA-N 0 0 340.423 3.204 10 10 EGCERN CCN(Cc1ccccn1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001294466931 1382461831 /nfs/dbraw/zinc/46/18/31/1382461831.db2.gz SCMDEWXGLAVRIC-UHFFFAOYSA-N 0 0 328.393 3.370 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)CC3(C(F)(F)F)CC3)C2)cc1 ZINC001328633547 1388794119 /nfs/dbraw/zinc/79/41/19/1388794119.db2.gz KDWGTGXSLPMWAE-LBPRGKRZSA-N 0 0 342.361 3.123 10 10 EGCERN CNc1nc(C)ccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001162115539 1382631737 /nfs/dbraw/zinc/63/17/37/1382631737.db2.gz SQADHIZYTSZABM-HNNXBMFYSA-N 0 0 340.471 3.167 10 10 EGCERN CC[C@]1(C)Oc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2O1 ZINC001296509173 1383004260 /nfs/dbraw/zinc/00/42/60/1383004260.db2.gz IWNGFBUVLQFUTQ-GOSISDBHSA-N 0 0 329.352 3.176 10 10 EGCERN Cc1ccc([C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(F)(F)F)o1 ZINC001163678091 1383104052 /nfs/dbraw/zinc/10/40/52/1383104052.db2.gz ROTOSKMFBMAFLI-SZTZYQKNSA-N 0 0 341.285 3.432 10 10 EGCERN COCc1cnc(NC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001297645446 1383205526 /nfs/dbraw/zinc/20/55/26/1383205526.db2.gz IPTNMHUEVQWBMP-UHFFFAOYSA-N 0 0 336.394 3.168 10 10 EGCERN CC[C@@](C)(CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)OC ZINC001298204463 1383381279 /nfs/dbraw/zinc/38/12/79/1383381279.db2.gz XTDNPLVQTTYEDN-FQEVSTJZSA-N 0 0 342.439 3.452 10 10 EGCERN COC(=O)c1cc(OCc2ccc([N+](=O)[O-])c(F)c2)ccc1N(C)C ZINC001166713416 1383465230 /nfs/dbraw/zinc/46/52/30/1383465230.db2.gz FBFCIRCZNBPJST-UHFFFAOYSA-N 0 0 348.330 3.166 10 10 EGCERN Cc1ccc(C(=O)NCc2ccc(O)cc2O)cc1Br ZINC001299573342 1383573614 /nfs/dbraw/zinc/57/36/14/1383573614.db2.gz JWRMXTHWOQTHOO-UHFFFAOYSA-N 0 0 336.185 3.099 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 ZINC001301047235 1383692216 /nfs/dbraw/zinc/69/22/16/1383692216.db2.gz UGJUMZIIQZAGJZ-UHFFFAOYSA-N 0 0 334.375 3.398 10 10 EGCERN COC(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001302532554 1383757037 /nfs/dbraw/zinc/75/70/37/1383757037.db2.gz IYZSJOMIQDPFSE-SNVBAGLBSA-N 0 0 333.771 3.323 10 10 EGCERN Cc1cc(C(=O)N2Cc3cncnc3[C@H](C)C2)c(C)n1-c1ccccn1 ZINC001302947439 1383774877 /nfs/dbraw/zinc/77/48/77/1383774877.db2.gz OYUSFNURCMXAII-CYBMUJFWSA-N 0 0 347.422 3.039 10 10 EGCERN O=C(CCc1cccc(C(F)(F)F)c1)NCc1cccc(O)c1O ZINC001303194983 1383787430 /nfs/dbraw/zinc/78/74/30/1383787430.db2.gz NPIBMDXOHFUIGZ-UHFFFAOYSA-N 0 0 339.313 3.366 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1ccc2[nH]c(=O)oc2c1 ZINC001304090135 1383829221 /nfs/dbraw/zinc/82/92/21/1383829221.db2.gz YOJINKNHARTSBN-UHFFFAOYSA-N 0 0 334.331 3.322 10 10 EGCERN CCCN(CC(F)(F)F)C(=O)CN(C)c1ccc(OCC)cc1 ZINC001308058583 1384082337 /nfs/dbraw/zinc/08/23/37/1384082337.db2.gz GVUNNCPASSWKOA-UHFFFAOYSA-N 0 0 332.366 3.322 10 10 EGCERN Cc1cc(CCNC(=O)CCCCCO)c(C)n1-c1ccccc1 ZINC001169944341 1384201906 /nfs/dbraw/zinc/20/19/06/1384201906.db2.gz SUFNCDOUQFEABY-UHFFFAOYSA-N 0 0 328.456 3.306 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(C)[C@H]3C(C)C)C2)cc1 ZINC001312995535 1384385112 /nfs/dbraw/zinc/38/51/12/1384385112.db2.gz WOUOMFJQTQXEPX-MAUKXSAKSA-N 0 0 345.487 3.350 10 10 EGCERN O=C(NCc1cc(O)ccc1O)C1(c2ccc(F)cc2F)CCC1 ZINC001176754721 1385685023 /nfs/dbraw/zinc/68/50/23/1385685023.db2.gz FVCWGNKZXQSKCW-UHFFFAOYSA-N 0 0 333.334 3.114 10 10 EGCERN Cc1oc(-c2ccsc2)nc1CC(=O)NCc1c(O)cccc1F ZINC001178412990 1386210344 /nfs/dbraw/zinc/21/03/44/1386210344.db2.gz JKZZCBGOAXXITD-UHFFFAOYSA-N 0 0 346.383 3.415 10 10 EGCERN COc1c(F)nccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001180115212 1386701493 /nfs/dbraw/zinc/70/14/93/1386701493.db2.gz WDQLRDBJDSPZPJ-UHFFFAOYSA-N 0 0 334.328 3.108 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)CC(C3CC3)C3CC3)C2)cc1 ZINC001331228878 1389662582 /nfs/dbraw/zinc/66/25/82/1389662582.db2.gz HPCRQJDVVVQLGS-MRXNPFEDSA-N 0 0 328.456 3.216 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)Nc3ccc(C)nc3)CC2)cc1 ZINC001338784842 1389762888 /nfs/dbraw/zinc/76/28/88/1389762888.db2.gz IUVBHTLXEUOUSJ-UHFFFAOYSA-N 0 0 340.427 3.143 10 10 EGCERN CN(C)c1ccc(/C=C\CN[C@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC001334910009 1390618684 /nfs/dbraw/zinc/61/86/84/1390618684.db2.gz WUPJQPHXBSLESS-YIEVGGLXSA-N 0 0 338.377 3.393 10 10 EGCERN Cc1ccccc1CO[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001334955647 1390626171 /nfs/dbraw/zinc/62/61/71/1390626171.db2.gz RNEQWNABVBQLLL-OAHLLOKOSA-N 0 0 344.430 3.422 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@@H](O)C3(CC3)C2)c1 ZINC001343090922 1390690824 /nfs/dbraw/zinc/69/08/24/1390690824.db2.gz XFJIMQRRPZSJCO-QGZVFWFLSA-N 0 0 344.842 3.344 10 10 EGCERN CC(=O)C1CCN(c2nnc(C3SC=CC3=O)n2CC(C)C)CC1 ZINC001343695219 1390731753 /nfs/dbraw/zinc/73/17/53/1390731753.db2.gz RFBDGAUYCWXIOU-UHFFFAOYSA-N 0 0 348.472 3.174 10 10 EGCERN CC/C=C\[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC001345070980 1390835037 /nfs/dbraw/zinc/83/50/37/1390835037.db2.gz CNUZZLWWRMHRGS-LYLYKKCESA-N 0 0 342.443 3.030 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](CCCO)c2ccccc2)c1 ZINC001346694219 1390970907 /nfs/dbraw/zinc/97/09/07/1390970907.db2.gz BAJDUODVZOUXNY-PBHICJAKSA-N 0 0 343.423 3.134 10 10 EGCERN Cc1ccc(CC(=O)Nc2c3nonc3ccc2Cl)c(Cl)n1 ZINC001346940627 1390987778 /nfs/dbraw/zinc/98/77/78/1390987778.db2.gz IIVFANKNALTQEE-UHFFFAOYSA-N 0 0 337.166 3.414 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cc(-c3ccccc3)nn2C)cc1 ZINC001348911138 1391282806 /nfs/dbraw/zinc/28/28/06/1391282806.db2.gz QVHHAUQVUWLEFA-UHFFFAOYSA-N 0 0 334.423 3.083 10 10 EGCERN C[C@@H](NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C)c1ccccc1O ZINC001348994463 1391294435 /nfs/dbraw/zinc/29/44/35/1391294435.db2.gz XYBHLJPEKQHTIV-LJISPDSOSA-N 0 0 342.443 3.238 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(C2CC2)nn1C ZINC001351179419 1391607748 /nfs/dbraw/zinc/60/77/48/1391607748.db2.gz WJPZSDIZPMJAMG-UHFFFAOYSA-N 0 0 338.455 3.170 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC001352615616 1391823552 /nfs/dbraw/zinc/82/35/52/1391823552.db2.gz RGQMSEJMSUIQDK-OXQOHEQNSA-N 0 0 328.456 3.060 10 10 EGCERN CCCCOc1ccc(C(=O)NCc2cccc(O)c2O)cc1OC ZINC001352658237 1391829834 /nfs/dbraw/zinc/82/98/34/1391829834.db2.gz QVRIDQVAYJZXFW-UHFFFAOYSA-N 0 0 345.395 3.215 10 10 EGCERN CCOC(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1 ZINC001353182185 1391953113 /nfs/dbraw/zinc/95/31/13/1391953113.db2.gz GKCFXIYJXFQAPQ-UHFFFAOYSA-N 0 0 341.388 3.334 10 10 EGCERN O=C(CSC1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354575204 1392153713 /nfs/dbraw/zinc/15/37/13/1392153713.db2.gz HZQOUPQNFKWYDP-UHFFFAOYSA-N 0 0 337.400 3.296 10 10 EGCERN CN(C)c1ccc(Cn2c(C3CC3)nnc2N2CCCC2)cc1F ZINC001696611936 1406117255 /nfs/dbraw/zinc/11/72/55/1406117255.db2.gz ZVOMIVRGGONTSK-UHFFFAOYSA-N 0 0 329.423 3.009 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)CCC(C)C ZINC001707861624 1417384778 /nfs/dbraw/zinc/38/47/78/1417384778.db2.gz PUSXQRDKOHVRGF-LJQANCHMSA-N 0 0 346.475 3.116 10 10 EGCERN Cc1nnc(N(C)OC2CCCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001707867847 1417385633 /nfs/dbraw/zinc/38/56/33/1417385633.db2.gz YSQIKTDNNUTARF-UHFFFAOYSA-N 0 0 347.438 3.150 10 10 EGCERN CC/C=C\Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001727863183 1427126996 /nfs/dbraw/zinc/12/69/96/1427126996.db2.gz PDIACDCGOMDOCB-OUOZUETKSA-N 0 0 342.443 3.090 10 10 EGCERN COc1ccc(-c2noc(-c3cn(Cc4ccc(N)cc4)cn3)n2)cc1 ZINC000021729839 202069342 /nfs/dbraw/zinc/06/93/42/202069342.db2.gz XWYRIJWZYXRIJH-UHFFFAOYSA-N 0 0 347.378 3.239 10 10 EGCERN COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000033313883 202257566 /nfs/dbraw/zinc/25/75/66/202257566.db2.gz VCDIAHSIVJLKLO-LDADJPATSA-N 0 0 349.386 3.226 10 10 EGCERN CCOc1cccc(CN[C@@H](c2nccn2C)c2ccccc2)c1O ZINC000071792511 203112949 /nfs/dbraw/zinc/11/29/49/203112949.db2.gz LNNPDHALDGLKMA-GOSISDBHSA-N 0 0 337.423 3.404 10 10 EGCERN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(N)cc1 ZINC000019519663 212036594 /nfs/dbraw/zinc/03/65/94/212036594.db2.gz SNJVQTJQSQEVTP-SNVBAGLBSA-N 0 0 335.201 3.437 10 10 EGCERN O=C(CSc1nccs1)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000052914194 132186057 /nfs/dbraw/zinc/18/60/57/132186057.db2.gz PVYMNCWJYXVMAO-UHFFFAOYSA-N 0 0 335.410 3.123 10 10 EGCERN CCOc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1C ZINC000173202804 455247178 /nfs/dbraw/zinc/24/71/78/455247178.db2.gz NCURGODFWQNHPM-UHFFFAOYSA-N 0 0 340.423 3.499 10 10 EGCERN Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccc(F)cc1 ZINC000003177281 452746573 /nfs/dbraw/zinc/74/65/73/452746573.db2.gz SMIJOVGZXIUNFO-UHFFFAOYSA-N 0 0 343.354 3.453 10 10 EGCERN COc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000031726301 453852944 /nfs/dbraw/zinc/85/29/44/453852944.db2.gz ZEOABKWGPNZOGX-CQSZACIVSA-N 0 0 327.428 3.322 10 10 EGCERN CC1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1 ZINC000174991573 455420180 /nfs/dbraw/zinc/42/01/80/455420180.db2.gz XEPPIDBTGVEOGY-INIZCTEOSA-N 0 0 332.444 3.273 10 10 EGCERN COc1cccc(CN2CCO[C@H](c3ccc(F)c(C)c3)C2)c1O ZINC000093637627 454725658 /nfs/dbraw/zinc/72/56/58/454725658.db2.gz ORUNBVQBQIEJQJ-SFHVURJKSA-N 0 0 331.387 3.422 10 10 EGCERN CC[C@H](N[C@@H]1CCCn2nc(COC)nc21)c1ccc(N(C)C)cc1 ZINC000125267909 454809317 /nfs/dbraw/zinc/80/93/17/454809317.db2.gz HQTGFRHVSJWNDK-DLBZAZTESA-N 0 0 343.475 3.066 10 10 EGCERN COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000109622049 454832516 /nfs/dbraw/zinc/83/25/16/454832516.db2.gz ITMCQAWTNIFLOC-OLZOCXBDSA-N 0 0 333.334 3.099 10 10 EGCERN C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1COc2ccccc21 ZINC000163308285 454838537 /nfs/dbraw/zinc/83/85/37/454838537.db2.gz UPRBMRHEFORTNG-XJKSGUPXSA-N 0 0 326.396 3.098 10 10 EGCERN Cc1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)c(C)n1-c1ccccn1 ZINC000125794921 454848170 /nfs/dbraw/zinc/84/81/70/454848170.db2.gz UEAFHNDEXCLKDM-UHFFFAOYSA-N 0 0 349.438 3.232 10 10 EGCERN CSCCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000171490063 455073535 /nfs/dbraw/zinc/07/35/35/455073535.db2.gz HVIGIRYZHLSMPD-UHFFFAOYSA-N 0 0 334.407 3.397 10 10 EGCERN O=C1Nc2ccccc2[C@H]1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190695987 455368558 /nfs/dbraw/zinc/36/85/58/455368558.db2.gz ZTGWZFIFADDPAJ-LLVKDONJSA-N 0 0 334.778 3.400 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCCn3ncnc32)c(C)n1-c1cccc(C)c1 ZINC000175712577 455486020 /nfs/dbraw/zinc/48/60/20/455486020.db2.gz VUWIHVZCLGLINF-GOSISDBHSA-N 0 0 349.438 3.259 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@@H](C)c1cc(F)ccc1O ZINC000186604422 455804709 /nfs/dbraw/zinc/80/47/09/455804709.db2.gz AYBRXUVMYYJAOJ-LBPRGKRZSA-N 0 0 344.386 3.240 10 10 EGCERN CN(C)c1ccc(CN(C(=O)c2cnc(C3CC3)nc2)C2CC2)cc1 ZINC000294540686 455819617 /nfs/dbraw/zinc/81/96/17/455819617.db2.gz XQCXOXSEIAGJHO-UHFFFAOYSA-N 0 0 336.439 3.225 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000294591300 455819930 /nfs/dbraw/zinc/81/99/30/455819930.db2.gz HKQOEBFCQZCNNM-ZJUUUORDSA-N 0 0 341.732 3.177 10 10 EGCERN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc2nccn12 ZINC000270603526 455994215 /nfs/dbraw/zinc/99/42/15/455994215.db2.gz GFFOLTIKNCNUKT-UHFFFAOYSA-N 0 0 328.441 3.042 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C2CC2)n1 ZINC000296881252 456059230 /nfs/dbraw/zinc/05/92/30/456059230.db2.gz MFOBKZNQFHEXCI-LLVKDONJSA-N 0 0 327.384 3.123 10 10 EGCERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2(CCF)CC2)cc1 ZINC000289906361 456176143 /nfs/dbraw/zinc/17/61/43/456176143.db2.gz TWAVLKNTSYEZQM-GOSISDBHSA-N 0 0 348.462 3.400 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccoc1C1CC1 ZINC000281275870 456186523 /nfs/dbraw/zinc/18/65/23/456186523.db2.gz PLZXOSVEABLLDL-UHFFFAOYSA-N 0 0 340.423 3.266 10 10 EGCERN Cc1ccc([C@@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c(O)c1C ZINC000273354465 456226000 /nfs/dbraw/zinc/22/60/00/456226000.db2.gz CJAQMUMLHKFMIC-OAHLLOKOSA-N 0 0 339.439 3.118 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)NCc1nccn1CC ZINC000298038924 456350556 /nfs/dbraw/zinc/35/05/56/456350556.db2.gz HOCLDBKQIFOMLV-UHFFFAOYSA-N 0 0 330.432 3.121 10 10 EGCERN COc1cccc(CNc2ncnc3cc(F)c(OC)cc32)c1O ZINC000302592066 456362851 /nfs/dbraw/zinc/36/28/51/456362851.db2.gz WKAHVKMIVVNTFF-UHFFFAOYSA-N 0 0 329.331 3.104 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)Nc1nnc(OC)s1 ZINC000282913688 456663376 /nfs/dbraw/zinc/66/33/76/456663376.db2.gz VGFAZEDPRGCRCE-UHFFFAOYSA-N 0 0 336.417 3.087 10 10 EGCERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000299563052 456729591 /nfs/dbraw/zinc/72/95/91/456729591.db2.gz BBNZBCSZQYUAIZ-UHFFFAOYSA-N 0 0 327.384 3.241 10 10 EGCERN COc1ccc(N2CCN(c3ncnc4ccc(C)cc43)CC2)cc1 ZINC000301101953 456797116 /nfs/dbraw/zinc/79/71/16/456797116.db2.gz KZSOKXMBDMDCEH-UHFFFAOYSA-N 0 0 334.423 3.273 10 10 EGCERN Cc1nc2c(s1)[C@H](NC(=O)N(C)Cc1ccccc1O)CCC2 ZINC000360990079 457493833 /nfs/dbraw/zinc/49/38/33/457493833.db2.gz OBHNUKQMJMHCBD-CQSZACIVSA-N 0 0 331.441 3.376 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)ccc21 ZINC000428099213 458079920 /nfs/dbraw/zinc/07/99/20/458079920.db2.gz LVEMQZBIBCLUTL-MNZLEMJZSA-N 0 0 326.440 3.433 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000413534748 458303628 /nfs/dbraw/zinc/30/36/28/458303628.db2.gz RTBZBRWAOUQQLN-OXJNMPFZSA-N 0 0 340.398 3.363 10 10 EGCERN Cc1cc(Cl)cc(CN[C@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000372921878 458349301 /nfs/dbraw/zinc/34/93/01/458349301.db2.gz LAXCUNJJGPFTNS-HNNXBMFYSA-N 0 0 328.803 3.351 10 10 EGCERN O=C(NCc1ccccc1O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000378062875 458617165 /nfs/dbraw/zinc/61/71/65/458617165.db2.gz VOKLWCXCZFYWEU-AEFFLSMTSA-N 0 0 326.396 3.112 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCc2ccccc2CC1 ZINC000528996407 459820226 /nfs/dbraw/zinc/82/02/26/459820226.db2.gz OGTMFLRMYHHAPS-CQSZACIVSA-N 0 0 339.435 3.340 10 10 EGCERN C[C@H](c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1)C1CC1 ZINC000545824424 459858282 /nfs/dbraw/zinc/85/82/82/459858282.db2.gz IFXBXITXWXWFFY-NSHDSACASA-N 0 0 339.420 3.466 10 10 EGCERN COc1ccc2c(c1)c1c(n2Cc2nc(-c3ncc[nH]3)no2)CCCC1 ZINC000650217590 461644986 /nfs/dbraw/zinc/64/49/86/461644986.db2.gz MVOYZHVNIGWDKE-UHFFFAOYSA-N 0 0 349.394 3.350 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC(C4CC4)C3)ccc21 ZINC000643287776 461667989 /nfs/dbraw/zinc/66/79/89/461667989.db2.gz AFLWBLQWBBFALT-UHFFFAOYSA-N 0 0 326.440 3.387 10 10 EGCERN O=C(NCc1ccccc1O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000726235560 574546874 /nfs/dbraw/zinc/54/68/74/574546874.db2.gz CHXBMVMLBNBAMF-HNNXBMFYSA-N 0 0 330.359 3.244 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000728979214 574790603 /nfs/dbraw/zinc/79/06/03/574790603.db2.gz CWHJZIYPXMKNKD-APPDUMDISA-N 0 0 329.421 3.295 10 10 EGCERN COc1cccc(CNC(=O)Cc2csc3ccccc23)c1O ZINC000729859808 574891879 /nfs/dbraw/zinc/89/18/79/574891879.db2.gz WQVMEMLNIGKFRI-UHFFFAOYSA-N 0 0 327.405 3.474 10 10 EGCERN Cc1cc(CCNC(=O)c2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000733251167 575322240 /nfs/dbraw/zinc/32/22/40/575322240.db2.gz DRVSKGALQYCNFI-UHFFFAOYSA-N 0 0 336.439 3.109 10 10 EGCERN CCCN(CCC)c1ccc(C[NH2+]C2(c3nnn[n-]3)CCCC2)cc1 ZINC000735407622 575658040 /nfs/dbraw/zinc/65/80/40/575658040.db2.gz JCSGWCGOHCIRCW-UHFFFAOYSA-N 0 0 342.491 3.385 10 10 EGCERN COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000735487628 575668543 /nfs/dbraw/zinc/66/85/43/575668543.db2.gz QTUUHBYUIPUNRP-UHFFFAOYSA-N 0 0 328.372 3.079 10 10 EGCERN COc1ccc2ccc(O)c(CN3CCOC[C@@H]3C(F)(F)F)c2c1 ZINC000739871603 576512252 /nfs/dbraw/zinc/51/22/52/576512252.db2.gz WKXXAIHUEVTVLX-MRXNPFEDSA-N 0 0 341.329 3.317 10 10 EGCERN CCc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000740461388 576584347 /nfs/dbraw/zinc/58/43/47/576584347.db2.gz WNCUCCBPQUZRCN-UHFFFAOYSA-N 0 0 328.416 3.500 10 10 EGCERN Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2O)c(C)n1-c1ccc(F)cc1 ZINC000742234907 576760271 /nfs/dbraw/zinc/76/02/71/576760271.db2.gz KDCSXUDOFJTBSD-KBXCAEBGSA-N 0 0 330.403 3.124 10 10 EGCERN Cc1cc(NCc2c(O)ccc3c2CCCC3)nc(-c2ccncc2)n1 ZINC000742420129 576782230 /nfs/dbraw/zinc/78/22/30/576782230.db2.gz ZHJUARKNBCOTPR-UHFFFAOYSA-N 0 0 346.434 3.465 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)C1CC1 ZINC000743123714 576802010 /nfs/dbraw/zinc/80/20/10/576802010.db2.gz CSCYNBSETUWNDN-SNVBAGLBSA-N 0 0 341.249 3.485 10 10 EGCERN C[C@@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000743564059 576812159 /nfs/dbraw/zinc/81/21/59/576812159.db2.gz CLFGLMIQIUXEMZ-IXDOHACOSA-N 0 0 345.487 3.414 10 10 EGCERN C[C@@H](NC(=O)N1C[C@H](C)CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000743564057 576812195 /nfs/dbraw/zinc/81/21/95/576812195.db2.gz CLFGLMIQIUXEMZ-BRWVUGGUSA-N 0 0 345.487 3.414 10 10 EGCERN COc1cc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC ZINC000087209977 1292742554 /nfs/dbraw/zinc/74/25/54/1292742554.db2.gz FHDGIHUUZFAVNW-UHFFFAOYSA-N 0 0 346.402 3.147 10 10 EGCERN COc1ccc(-c2nc(CN(C)c3ccc4c(c3)OCO4)no2)cc1 ZINC000121245650 1293360920 /nfs/dbraw/zinc/36/09/20/1293360920.db2.gz CULNRTKBGPXBNK-UHFFFAOYSA-N 0 0 339.351 3.110 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000131589367 1293694746 /nfs/dbraw/zinc/69/47/46/1293694746.db2.gz PDVDOBPLWMPINF-WBVHZDCISA-N 0 0 330.378 3.451 10 10 EGCERN O=C(NCCCSc1nccs1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000154660664 1294065315 /nfs/dbraw/zinc/06/53/15/1294065315.db2.gz MMRRYBQOVRYBAG-CHWSQXEVSA-N 0 0 325.503 3.457 10 10 EGCERN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](C)CO ZINC000154791484 1294070762 /nfs/dbraw/zinc/07/07/62/1294070762.db2.gz JGAGMPMZUKAFQD-LBPRGKRZSA-N 0 0 334.441 3.062 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1cnccn1 ZINC000172164689 1294429247 /nfs/dbraw/zinc/42/92/47/1294429247.db2.gz UYEIEVYREKHZPH-UHFFFAOYSA-N 0 0 326.425 3.218 10 10 EGCERN O=C(c1ccc(OC2CCOCC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871203359 1296270740 /nfs/dbraw/zinc/27/07/40/1296270740.db2.gz YPBUBKCUTCXXKG-UHFFFAOYSA-N 0 0 339.391 3.106 10 10 EGCERN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203734 1296271597 /nfs/dbraw/zinc/27/15/97/1296271597.db2.gz RGRWDRAZABCXND-IBGZPJMESA-N 0 0 348.443 3.175 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000243404275 1296292904 /nfs/dbraw/zinc/29/29/04/1296292904.db2.gz MOWBAQPBWCEBPD-UHFFFAOYSA-N 0 0 331.460 3.250 10 10 EGCERN CC(C)(C)c1cnc(SCc2cn(C[C@H]3CCOC3)nn2)s1 ZINC000871657520 1296471240 /nfs/dbraw/zinc/47/12/40/1296471240.db2.gz DBQHIJHORIUXJV-LLVKDONJSA-N 0 0 338.502 3.361 10 10 EGCERN CCn1ncc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1C ZINC000872136204 1296760259 /nfs/dbraw/zinc/76/02/59/1296760259.db2.gz DCUDHZCFYYBPEY-CYBMUJFWSA-N 0 0 332.423 3.360 10 10 EGCERN C[N@@H+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1(C)C ZINC000708141776 1298238404 /nfs/dbraw/zinc/23/84/04/1298238404.db2.gz WRJIHWRMOXZQLI-UHFFFAOYSA-N 0 0 347.684 3.334 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000715738569 1298285251 /nfs/dbraw/zinc/28/52/51/1298285251.db2.gz VPMHCDVPELDHIQ-AWEZNQCLSA-N 0 0 330.197 3.049 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000876299450 1298686847 /nfs/dbraw/zinc/68/68/47/1298686847.db2.gz RUWBRFXWCXKALJ-RBUKOAKNSA-N 0 0 345.487 3.099 10 10 EGCERN COc1ccc(N2CCC(NC(=O)CC(F)(F)C(F)F)CC2)cc1 ZINC000888754343 1304263716 /nfs/dbraw/zinc/26/37/16/1304263716.db2.gz FQCAEMAVDSFNBV-UHFFFAOYSA-N 0 0 348.340 3.071 10 10 EGCERN CC(C)Oc1ccc(N(C)Cc2nc(Br)nn2C)cc1 ZINC000894566550 1308956699 /nfs/dbraw/zinc/95/66/99/1308956699.db2.gz MNHRHBDCODNGSQ-UHFFFAOYSA-N 0 0 339.237 3.001 10 10 EGCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])O2 ZINC000895819583 1309534186 /nfs/dbraw/zinc/53/41/86/1309534186.db2.gz BLMTXOLZIODJTF-KOZDUTSQSA-N 0 0 343.826 3.247 10 10 EGCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])O2 ZINC000895819584 1309535149 /nfs/dbraw/zinc/53/51/49/1309535149.db2.gz BLMTXOLZIODJTF-NDIKUOACSA-N 0 0 343.826 3.247 10 10 EGCERN C[C@@H](COCC(F)(F)F)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895936481 1309598521 /nfs/dbraw/zinc/59/85/21/1309598521.db2.gz LOEWKUMYCDXPMA-ZETCQYMHSA-N 0 0 349.330 3.010 10 10 EGCERN CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895971794 1309619551 /nfs/dbraw/zinc/61/95/51/1309619551.db2.gz OVYONJVORJAPEB-UHFFFAOYSA-N 0 0 348.468 3.259 10 10 EGCERN CCc1nc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)cs1 ZINC000896082251 1309691098 /nfs/dbraw/zinc/69/10/98/1309691098.db2.gz SVTPNBJODMPDOL-UHFFFAOYSA-N 0 0 348.449 3.304 10 10 EGCERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896853492 1310053910 /nfs/dbraw/zinc/05/39/10/1310053910.db2.gz MQKPCCSYKWQNSF-GTNSWQLSSA-N 0 0 349.452 3.494 10 10 EGCERN CCN(CCc1nccs1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897196163 1310218656 /nfs/dbraw/zinc/21/86/56/1310218656.db2.gz VUMJBNPMEIZLNT-UHFFFAOYSA-N 0 0 348.449 3.474 10 10 EGCERN O=C(NC[C@@H](CO)CC1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897653884 1310423747 /nfs/dbraw/zinc/42/37/47/1310423747.db2.gz YCUIAHDMINEFLV-LBPRGKRZSA-N 0 0 349.452 3.231 10 10 EGCERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897900962 1310511526 /nfs/dbraw/zinc/51/15/26/1310511526.db2.gz MDWXANYKSAATAQ-NHYWBVRUSA-N 0 0 349.452 3.494 10 10 EGCERN CC(C)[C@H]1C[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897900961 1310511641 /nfs/dbraw/zinc/51/16/41/1310511641.db2.gz MDWXANYKSAATAQ-IAQYHMDHSA-N 0 0 349.452 3.494 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000898075969 1310580256 /nfs/dbraw/zinc/58/02/56/1310580256.db2.gz KSZTXOQEQQSRNW-AAEUAGOBSA-N 0 0 347.436 3.344 10 10 EGCERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCCO1 ZINC000898438305 1310735155 /nfs/dbraw/zinc/73/51/55/1310735155.db2.gz FJRSVEIHWLKIGY-SMDDNHRTSA-N 0 0 335.425 3.390 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)/C=C\C=C(Cl)Cl)C2)cc1 ZINC000898580788 1310796306 /nfs/dbraw/zinc/79/63/06/1310796306.db2.gz OISTXBMGRVOIOG-DTRQGZQOSA-N 0 0 341.238 3.265 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1nc2c(s1)CCC2 ZINC000857473207 1328539545 /nfs/dbraw/zinc/53/95/45/1328539545.db2.gz UIRCCDMAFKYULB-UHFFFAOYSA-N 0 0 328.437 3.146 10 10 EGCERN CO[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000857578787 1328552823 /nfs/dbraw/zinc/55/28/23/1328552823.db2.gz PXMJBBTXCCYONO-TZMCWYRMSA-N 0 0 349.386 3.216 10 10 EGCERN CCCCC1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000929537359 1328629118 /nfs/dbraw/zinc/62/91/18/1328629118.db2.gz NJWBNQSFNOZWQG-UHFFFAOYSA-N 0 0 330.472 3.452 10 10 EGCERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCOc3ccccc32)C1 ZINC000858423126 1328758513 /nfs/dbraw/zinc/75/85/13/1328758513.db2.gz YFFXNPRHLDJJIC-AWEZNQCLSA-N 0 0 344.411 3.026 10 10 EGCERN Cc1cc(CNC(=O)N[C@H]2CCn3ccnc32)c(C)n1-c1ccccc1 ZINC000858500231 1328780531 /nfs/dbraw/zinc/78/05/31/1328780531.db2.gz YOJUQIQGQFMROY-SFHVURJKSA-N 0 0 349.438 3.235 10 10 EGCERN CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(F)cc1[O-] ZINC000858539843 1328791232 /nfs/dbraw/zinc/79/12/32/1328791232.db2.gz NWKSQXHTPPAFRJ-CQSZACIVSA-N 0 0 330.359 3.217 10 10 EGCERN Cc1cc(C(=O)N2CC(c3ccccn3)C2)c(C)n1-c1ccccn1 ZINC000913373682 1319016871 /nfs/dbraw/zinc/01/68/71/1319016871.db2.gz VFDHRJZIVYMBFB-UHFFFAOYSA-N 0 0 332.407 3.124 10 10 EGCERN C[C@@H](NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000913763917 1319118641 /nfs/dbraw/zinc/11/86/41/1319118641.db2.gz VQPNWCXDFVDLIQ-IYXRBSQSSA-N 0 0 348.443 3.263 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000916142983 1319608347 /nfs/dbraw/zinc/60/83/47/1319608347.db2.gz OXAHKCFPUUCUGA-ZWKOTPCHSA-N 0 0 344.386 3.251 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc2c(F)cccn21 ZINC000858827262 1328869375 /nfs/dbraw/zinc/86/93/75/1328869375.db2.gz ZEMKZQZCKHNNPA-UHFFFAOYSA-N 0 0 340.402 3.202 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000930905749 1329003001 /nfs/dbraw/zinc/00/30/01/1329003001.db2.gz OJKKHZWFCSGLMX-RBUKOAKNSA-N 0 0 330.472 3.449 10 10 EGCERN COc1cccc2c1CC[C@H]2NC(=O)NCc1c(O)cccc1F ZINC000921453302 1322318151 /nfs/dbraw/zinc/31/81/51/1322318151.db2.gz KAKSBZXYANHQLS-OAHLLOKOSA-N 0 0 330.359 3.027 10 10 EGCERN CN(C)c1cc(F)c(CNCc2cc(C(F)(F)F)nn2C)cc1F ZINC000922712547 1322599724 /nfs/dbraw/zinc/59/97/24/1322599724.db2.gz CESLJKWQNDDYLI-UHFFFAOYSA-N 0 0 348.319 3.073 10 10 EGCERN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c(O)c1O ZINC000924096951 1322899836 /nfs/dbraw/zinc/89/98/36/1322899836.db2.gz AWFGBKUSUHLZIM-BONVTDFDSA-N 0 0 329.318 3.211 10 10 EGCERN CC(C)=CC[C@@H]1NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O ZINC000924487914 1323035327 /nfs/dbraw/zinc/03/53/27/1323035327.db2.gz MQZNIIJXKAYMKV-KRWDZBQOSA-N 0 0 327.428 3.064 10 10 EGCERN CC(C)=CC[C@H]1NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O ZINC000924487915 1323035798 /nfs/dbraw/zinc/03/57/98/1323035798.db2.gz MQZNIIJXKAYMKV-QGZVFWFLSA-N 0 0 327.428 3.064 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000927015523 1327821384 /nfs/dbraw/zinc/82/13/84/1327821384.db2.gz RBIGHCQBXSJSBJ-AAEUAGOBSA-N 0 0 327.371 3.049 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927145213 1327890298 /nfs/dbraw/zinc/89/02/98/1327890298.db2.gz KBXKXTGBPXWWIC-DTWKUNHWSA-N 0 0 341.242 3.036 10 10 EGCERN C[C@@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCS1 ZINC000927246407 1327930033 /nfs/dbraw/zinc/93/00/33/1327930033.db2.gz OHEWIDZTNRPMSD-TZMCWYRMSA-N 0 0 334.485 3.354 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCC[C@H]2OCCc3ccccc32)c1 ZINC000927669117 1328098229 /nfs/dbraw/zinc/09/82/29/1328098229.db2.gz BXSZBUUCJTWVDP-LJQANCHMSA-N 0 0 340.423 3.204 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H]2CCC3(CCC3)O2)c1 ZINC000927730728 1328123011 /nfs/dbraw/zinc/12/30/11/1328123011.db2.gz RWIFVNMFYJZAOQ-ZIAGYGMSSA-N 0 0 348.443 3.253 10 10 EGCERN CCc1onc(C)c1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000927832461 1328146411 /nfs/dbraw/zinc/14/64/11/1328146411.db2.gz XGMVRBMVWLIZOE-UHFFFAOYSA-N 0 0 343.427 3.129 10 10 EGCERN COc1ccc(CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)c(O)c1 ZINC000861490358 1329421709 /nfs/dbraw/zinc/42/17/09/1329421709.db2.gz RYJDDCIHJHQAAZ-UHFFFAOYSA-N 0 0 326.396 3.414 10 10 EGCERN Nc1ccc(CCNC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000861640783 1329433875 /nfs/dbraw/zinc/43/38/75/1329433875.db2.gz OFEMOPJKADEVQH-YSIASYRMSA-N 0 0 335.451 3.256 10 10 EGCERN CC(C)(C)C(=O)CCCC(=O)NCc1ccc2cccnc2c1O ZINC000862026167 1329455830 /nfs/dbraw/zinc/45/58/30/1329455830.db2.gz HMTOVAKTKNEPEP-UHFFFAOYSA-N 0 0 328.412 3.342 10 10 EGCERN CC(C)C[C@H](C)OCCC(=O)NCc1ccc2cccnc2c1O ZINC000862027483 1329455955 /nfs/dbraw/zinc/45/59/55/1329455955.db2.gz UMYKMEKFYGETCB-AWEZNQCLSA-N 0 0 330.428 3.398 10 10 EGCERN CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC000862027400 1329456099 /nfs/dbraw/zinc/45/60/99/1329456099.db2.gz QTKHEZMDTGPWLM-CVEARBPZSA-N 0 0 340.423 3.198 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000862045589 1329456664 /nfs/dbraw/zinc/45/66/64/1329456664.db2.gz WKWUKKLITGCYRS-IZZQQSIFSA-N 0 0 336.435 3.364 10 10 EGCERN CN(C)c1cc(F)c(CNc2ccc3c(c2)CCN(C)C3=O)cc1F ZINC000862411585 1329484312 /nfs/dbraw/zinc/48/43/12/1329484312.db2.gz GKFLVKIJXOORIK-UHFFFAOYSA-N 0 0 345.393 3.271 10 10 EGCERN CCOC(=O)C[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000863474049 1329556777 /nfs/dbraw/zinc/55/67/77/1329556777.db2.gz ICFMXFLLORBERQ-CYBMUJFWSA-N 0 0 341.835 3.023 10 10 EGCERN Nc1c(Cl)cc(N2C(=O)N3C4CCC3(CC4)C2=O)cc1Cl ZINC000864558745 1329625827 /nfs/dbraw/zinc/62/58/27/1329625827.db2.gz ZDHFBPZTKJUSTK-UHFFFAOYSA-N 0 0 326.183 3.039 10 10 EGCERN CN(C)c1ccc(CN(C(=O)C2CC3(CSC3)C2)C2CC2)cc1 ZINC000864785964 1329642452 /nfs/dbraw/zinc/64/24/52/1329642452.db2.gz KZUZEWWVXYVVLU-UHFFFAOYSA-N 0 0 330.497 3.387 10 10 EGCERN CN(C)c1ccc(CNc2ncc3c(n2)COC3)c(C(F)(F)F)c1 ZINC000865294170 1329684103 /nfs/dbraw/zinc/68/41/03/1329684103.db2.gz CZRAJQKCLBCIFL-UHFFFAOYSA-N 0 0 338.333 3.204 10 10 EGCERN CC(C)(C)c1ccc(CN2C(=O)CN(Cc3ccccc3O)C2=O)o1 ZINC000865334087 1329686943 /nfs/dbraw/zinc/68/69/43/1329686943.db2.gz ZOBJIWCQDYVIMU-UHFFFAOYSA-N 0 0 342.395 3.247 10 10 EGCERN CCn1cnc2c1nc(Cl)nc2NCc1ccc(N(C)C)cc1 ZINC000865414998 1329694106 /nfs/dbraw/zinc/69/41/06/1329694106.db2.gz JTJCCPJBUIZNSI-UHFFFAOYSA-N 0 0 330.823 3.178 10 10 EGCERN c1c(C2CC2)nn2ccnc(NCc3ccc(N4CCOCC4)cc3)c12 ZINC000865461544 1329700552 /nfs/dbraw/zinc/70/05/52/1329700552.db2.gz ZMWWAEJLGGONFJ-UHFFFAOYSA-N 0 0 349.438 3.055 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2nc([C@H]3C[C@@H]3C)no2)cc1 ZINC000865894507 1329749703 /nfs/dbraw/zinc/74/97/03/1329749703.db2.gz NMJNLIZFBIZUJW-BBRMVZONSA-N 0 0 342.443 3.311 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ccnn2C)c1O ZINC000932267897 1329801897 /nfs/dbraw/zinc/80/18/97/1329801897.db2.gz HGFUIVJFUMNCLP-INIZCTEOSA-N 0 0 333.819 3.319 10 10 EGCERN C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000866412886 1330108754 /nfs/dbraw/zinc/10/87/54/1330108754.db2.gz NBFUVQDRRVZGJZ-MNOVXSKESA-N 0 0 347.286 3.195 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)OCCC(F)(F)F ZINC000866530740 1330122381 /nfs/dbraw/zinc/12/23/81/1330122381.db2.gz CBLKUXGJJRHIRT-UHFFFAOYSA-N 0 0 348.390 3.418 10 10 EGCERN C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866563361 1330127237 /nfs/dbraw/zinc/12/72/37/1330127237.db2.gz LNKOAFXUQTVDMV-PXAZEXFGSA-N 0 0 327.384 3.138 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(CC3CCCC3)c2)c1 ZINC000866765072 1330147690 /nfs/dbraw/zinc/14/76/90/1330147690.db2.gz QUGUPBWCUYLCNX-CYBMUJFWSA-N 0 0 343.427 3.279 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1O ZINC000868441374 1330280915 /nfs/dbraw/zinc/28/09/15/1330280915.db2.gz SREORJWWDWHPKU-GUDXXQAFSA-N 0 0 330.428 3.100 10 10 EGCERN C[C@H](NC(=O)NC[C@@H]1COC2(CCCCCC2)O1)c1ccccc1O ZINC000868481374 1330284925 /nfs/dbraw/zinc/28/49/25/1330284925.db2.gz LLWJKFBIGUXFTH-LSDHHAIUSA-N 0 0 348.443 3.218 10 10 EGCERN COC(=O)c1cnc(SCc2ccc(F)cc2[N+](=O)[O-])s1 ZINC001189407860 1367013491 /nfs/dbraw/zinc/01/34/91/1367013491.db2.gz OBAOQQCRZBJACK-UHFFFAOYSA-N 0 0 328.346 3.269 10 10 EGCERN O=C(CN1CCCc2cc(OC(F)F)ccc21)Nc1ccccn1 ZINC001191654778 1367553703 /nfs/dbraw/zinc/55/37/03/1367553703.db2.gz JJHDXVSKQIUUIC-UHFFFAOYSA-N 0 0 333.338 3.074 10 10 EGCERN COC(=O)CC(C)(C)[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001325133245 1387903612 /nfs/dbraw/zinc/90/36/12/1387903612.db2.gz AWJZFZMAAUILQW-UHFFFAOYSA-N 0 0 344.249 3.237 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@H](CC)CC(F)F)CC2)cc1 ZINC001325445090 1387973307 /nfs/dbraw/zinc/97/33/07/1387973307.db2.gz GZZAEWWQALGGMQ-CQSZACIVSA-N 0 0 340.414 3.415 10 10 EGCERN OC[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)[C@@H]1C(F)(F)F ZINC001118199149 1371145298 /nfs/dbraw/zinc/14/52/98/1371145298.db2.gz CLFNOTUKKOCQIP-RDJZCZTQSA-N 0 0 342.405 3.422 10 10 EGCERN FC(F)(F)C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118631453 1371208313 /nfs/dbraw/zinc/20/83/13/1371208313.db2.gz USGBMMDAMFQKJZ-MRXNPFEDSA-N 0 0 328.378 3.440 10 10 EGCERN COc1cccc2c1OC[C@@H](NC(=O)c1ccccc1-n1cccc1)C2 ZINC001125805660 1372861984 /nfs/dbraw/zinc/86/19/84/1372861984.db2.gz PEBDILSRMHSDAL-INIZCTEOSA-N 0 0 348.402 3.219 10 10 EGCERN CCc1nnsc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132048515 1375116957 /nfs/dbraw/zinc/11/69/57/1375116957.db2.gz XSHMXNCNTDHBLQ-UHFFFAOYSA-N 0 0 340.452 3.438 10 10 EGCERN CCc1ccc2c(c1)[C@@H](NC(=O)NCc1ccccc1O)CCO2 ZINC001225895668 1375170450 /nfs/dbraw/zinc/17/04/50/1375170450.db2.gz GADMGVCFYZIAAV-INIZCTEOSA-N 0 0 326.396 3.278 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCOC(C)(C)[C@@H]1C ZINC001230194338 1375964519 /nfs/dbraw/zinc/96/45/19/1375964519.db2.gz AAEJLEZJZSWTDH-HOTGVXAUSA-N 0 0 347.503 3.201 10 10 EGCERN CCC[C@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OCC ZINC001230195761 1375964698 /nfs/dbraw/zinc/96/46/98/1375964698.db2.gz QMBNFPZWKCSTFT-VQIMIIECSA-N 0 0 349.519 3.496 10 10 EGCERN C=CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001135689534 1377184379 /nfs/dbraw/zinc/18/43/79/1377184379.db2.gz GYJPPHKOFCVFRP-UHFFFAOYSA-N 0 0 337.423 3.149 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@H]3C)CC2)cc1 ZINC001266269430 1377254203 /nfs/dbraw/zinc/25/42/03/1377254203.db2.gz YUNUYKRFPDZDMP-PASDCYSWSA-N 0 0 328.456 3.026 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](O)CC(C)C ZINC001137359852 1377532524 /nfs/dbraw/zinc/53/25/24/1377532524.db2.gz MBODTRVXFIHNFH-KRWDZBQOSA-N 0 0 342.439 3.043 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccc(F)cc3C2)cc1 ZINC001137650611 1377581568 /nfs/dbraw/zinc/58/15/68/1377581568.db2.gz MWTMKIJWUMMGQY-UHFFFAOYSA-N 0 0 326.331 3.187 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC001138080643 1377674265 /nfs/dbraw/zinc/67/42/65/1377674265.db2.gz LFHRQEYKRTVMPJ-FQEVSTJZSA-N 0 0 348.446 3.428 10 10 EGCERN COc1ccc(CNC(=O)c2cc3cccc(F)c3nc2C)c(O)c1 ZINC001139031909 1377820269 /nfs/dbraw/zinc/82/02/69/1377820269.db2.gz FYEPUICFBNBVIP-UHFFFAOYSA-N 0 0 340.354 3.327 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC001140863589 1378162004 /nfs/dbraw/zinc/16/20/04/1378162004.db2.gz RWUQWLHAGUJECY-RDNKVPPGSA-N 0 0 349.308 3.332 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 ZINC001141265010 1378286507 /nfs/dbraw/zinc/28/65/07/1378286507.db2.gz OXDXNAGENWIWAP-UHFFFAOYSA-N 0 0 338.371 3.097 10 10 EGCERN CCO[C@H]1C[C@@H](NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC001141955738 1378397511 /nfs/dbraw/zinc/39/75/11/1378397511.db2.gz BNSUTWWPDXFLCT-CALCHBBNSA-N 0 0 340.423 3.204 10 10 EGCERN O=C(/C=C/Sc1cc(F)ccc1F)NCc1ccc(O)cc1O ZINC001142533992 1378453980 /nfs/dbraw/zinc/45/39/80/1378453980.db2.gz VLNOUASVVCJUPH-AATRIKPKSA-N 0 0 337.347 3.298 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(OC(F)F)cc1 ZINC001142727941 1378481542 /nfs/dbraw/zinc/48/15/42/1378481542.db2.gz INANFOFXBXRTHJ-UHFFFAOYSA-N 0 0 344.317 3.472 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cncc(C(F)(F)F)c1 ZINC001142731119 1378482709 /nfs/dbraw/zinc/48/27/09/1378482709.db2.gz KPHKQZHZIVZPLH-UHFFFAOYSA-N 0 0 347.296 3.284 10 10 EGCERN O=C(Cc1nsc2ccccc12)NCc1ccc2cccnc2c1O ZINC001142730595 1378482727 /nfs/dbraw/zinc/48/27/27/1378482727.db2.gz AKVGAYAOYVCJFJ-UHFFFAOYSA-N 0 0 349.415 3.409 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cnccc1C(F)(F)F ZINC001142731315 1378482798 /nfs/dbraw/zinc/48/27/98/1378482798.db2.gz UGFCFDBDAOYGEB-UHFFFAOYSA-N 0 0 347.296 3.284 10 10 EGCERN Cc1ccc(OCCNC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 ZINC001142891781 1378506025 /nfs/dbraw/zinc/50/60/25/1378506025.db2.gz MFUPBFZWUMPHDU-UHFFFAOYSA-N 0 0 340.383 3.275 10 10 EGCERN Cc1ccc(F)c2oc(C(=O)NCCc3ccc(O)c(O)c3)cc21 ZINC001150488910 1379558668 /nfs/dbraw/zinc/55/86/68/1379558668.db2.gz XIMUJVXNORACJU-UHFFFAOYSA-N 0 0 329.327 3.264 10 10 EGCERN COc1cccc(CNC(=O)Cc2coc3ccc(C)cc23)c1O ZINC001150543285 1379565140 /nfs/dbraw/zinc/56/51/40/1379565140.db2.gz KBSXJSWEPBORBS-UHFFFAOYSA-N 0 0 325.364 3.314 10 10 EGCERN CCOc1ccc(Cl)cc1CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001151206954 1379677137 /nfs/dbraw/zinc/67/71/37/1379677137.db2.gz UWYWXJCZBBBEHB-UHFFFAOYSA-N 0 0 349.814 3.051 10 10 EGCERN COc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1O ZINC001152585702 1379953858 /nfs/dbraw/zinc/95/38/58/1379953858.db2.gz IWIPESVXPVIRSC-UHFFFAOYSA-N 0 0 331.349 3.279 10 10 EGCERN O=C(NCc1cc(O)ccc1O)C(F)(F)c1ccc(Cl)cc1 ZINC001153879627 1380148273 /nfs/dbraw/zinc/14/82/73/1380148273.db2.gz RVUYSSIECSAMAK-UHFFFAOYSA-N 0 0 327.714 3.159 10 10 EGCERN CC1=NO[C@H](C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 ZINC001155725986 1380487432 /nfs/dbraw/zinc/48/74/32/1380487432.db2.gz AIHPLKOYMCQZLW-SJCJKPOMSA-N 0 0 349.862 3.357 10 10 EGCERN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001293969754 1382401567 /nfs/dbraw/zinc/40/15/67/1382401567.db2.gz HEDOIHYMHLCBGR-MRXNPFEDSA-N 0 0 331.387 3.163 10 10 EGCERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(O)cc1O ZINC001162271996 1382718495 /nfs/dbraw/zinc/71/84/95/1382718495.db2.gz YCEKSTNLQLHBHH-LLVKDONJSA-N 0 0 335.787 3.143 10 10 EGCERN CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296796193 1383065340 /nfs/dbraw/zinc/06/53/40/1383065340.db2.gz URAJBPDGLOXHSP-HUUCEWRRSA-N 0 0 332.404 3.173 10 10 EGCERN COc1ccc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)nc1 ZINC001297206288 1383128451 /nfs/dbraw/zinc/12/84/51/1383128451.db2.gz ZSMLAZPYEYJCHB-UHFFFAOYSA-N 0 0 349.434 3.357 10 10 EGCERN O=C(N[C@H](CO)c1cccc(Cl)c1Cl)C1=CC(=O)CS1 ZINC001167346751 1383605424 /nfs/dbraw/zinc/60/54/24/1383605424.db2.gz WBKMSCNTGWKFNE-SNVBAGLBSA-N 0 0 332.208 3.224 10 10 EGCERN Cc1ccc(O)c(CNC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC001301042713 1383691576 /nfs/dbraw/zinc/69/15/76/1383691576.db2.gz YLKRYDQZBWUZRW-UHFFFAOYSA-N 0 0 339.313 3.415 10 10 EGCERN CCc1ccc(N(CC)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001167705298 1383716658 /nfs/dbraw/zinc/71/66/58/1383716658.db2.gz IROAHJRSNXNBJH-UHFFFAOYSA-N 0 0 339.483 3.458 10 10 EGCERN Cn1c(C(=O)NCc2cc(O)ccc2O)ccc1-c1ccc(F)cc1 ZINC001303223389 1383788053 /nfs/dbraw/zinc/78/80/53/1383788053.db2.gz NJFSUHCKCRRVRB-UHFFFAOYSA-N 0 0 340.354 3.172 10 10 EGCERN C[C@@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCOC2(CCC2)C1 ZINC001303775990 1383814114 /nfs/dbraw/zinc/81/41/14/1383814114.db2.gz USHGKLHSSHDXHR-QGZVFWFLSA-N 0 0 344.415 3.318 10 10 EGCERN CCc1[nH]nc(Cl)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304090923 1383829226 /nfs/dbraw/zinc/82/92/26/1383829226.db2.gz UBEMFAQUUUSTQN-UHFFFAOYSA-N 0 0 329.787 3.414 10 10 EGCERN CCC1(CC)[C@H](NC(=O)NCc2cc(Cl)ccc2O)C[C@H]1OC ZINC001312347840 1384341750 /nfs/dbraw/zinc/34/17/50/1384341750.db2.gz HUGMQWTWWJXYGC-HUUCEWRRSA-N 0 0 340.851 3.439 10 10 EGCERN C[C@@H]1C[C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001312377437 1384344210 /nfs/dbraw/zinc/34/42/10/1384344210.db2.gz JOYWFBILZWKALK-SJLPKXTDSA-N 0 0 345.487 3.243 10 10 EGCERN Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H](C)c1ccccc1O ZINC001171729431 1384616146 /nfs/dbraw/zinc/61/61/46/1384616146.db2.gz CGRCRLGREKBQTJ-NSHDSACASA-N 0 0 326.352 3.369 10 10 EGCERN C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)n1)c1ccccc1O ZINC001171729635 1384616324 /nfs/dbraw/zinc/61/63/24/1384616324.db2.gz FCMFYNSOWOFYOR-NSHDSACASA-N 0 0 342.786 3.117 10 10 EGCERN C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccccc1O ZINC001171730200 1384616365 /nfs/dbraw/zinc/61/63/65/1384616365.db2.gz LXFXGFSZEVGSQG-NSHDSACASA-N 0 0 343.408 3.314 10 10 EGCERN Cc1nc(-c2ccc(C(=O)NCc3cc(O)ccc3O)cc2)cs1 ZINC001176754485 1385684748 /nfs/dbraw/zinc/68/47/48/1385684748.db2.gz DNPVPCFCSUGOKB-UHFFFAOYSA-N 0 0 340.404 3.460 10 10 EGCERN CCc1onc(-c2ccccc2)c1C(=O)NCc1cc(O)ccc1O ZINC001176755737 1385684892 /nfs/dbraw/zinc/68/48/92/1385684892.db2.gz UTQRVLQGZNMTES-UHFFFAOYSA-N 0 0 338.363 3.245 10 10 EGCERN Cc1nc(-c2ccc(C(=O)NCc3c(O)cccc3O)cc2)cs1 ZINC001178910168 1386346579 /nfs/dbraw/zinc/34/65/79/1386346579.db2.gz ATQGNJNENCJZDN-UHFFFAOYSA-N 0 0 340.404 3.460 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1csc(-c2ccccc2F)n1 ZINC001178912311 1386347043 /nfs/dbraw/zinc/34/70/43/1386347043.db2.gz RTWSNXSYHQWSAF-UHFFFAOYSA-N 0 0 344.367 3.290 10 10 EGCERN O=C(Cc1ccc2c(c1)OCO2)NCc1c(O)ccc2ccccc21 ZINC001179029089 1386381185 /nfs/dbraw/zinc/38/11/85/1386381185.db2.gz JFQYKMKJAGYUAV-UHFFFAOYSA-N 0 0 335.359 3.133 10 10 EGCERN CN(C)c1ncc(C(=O)NCc2cccc(Cl)c2O)cc1Cl ZINC001180419621 1386791226 /nfs/dbraw/zinc/79/12/26/1386791226.db2.gz BJMRJRBRAVOCQN-UHFFFAOYSA-N 0 0 340.210 3.090 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1C=CCCC1 ZINC001322836505 1387244638 /nfs/dbraw/zinc/24/46/38/1387244638.db2.gz OIICFJIBGPCSGL-GFCCVEGCSA-N 0 0 325.206 3.063 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)OC3CCCCC3)C2)cc1 ZINC001329351012 1389071935 /nfs/dbraw/zinc/07/19/35/1389071935.db2.gz HOQPMGJTROXOTH-HOTGVXAUSA-N 0 0 346.471 3.128 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)OC3CCCCC3)C2)cc1 ZINC001329351011 1389072177 /nfs/dbraw/zinc/07/21/77/1389072177.db2.gz HOQPMGJTROXOTH-CVEARBPZSA-N 0 0 346.471 3.128 10 10 EGCERN O=C(NCCCSc1nccs1)NC[C@H]1OCc2ccccc21 ZINC001346249309 1390918104 /nfs/dbraw/zinc/91/81/04/1390918104.db2.gz BYXNPTZAIZLWBW-CQSZACIVSA-N 0 0 349.481 3.196 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2Cc3cccnc3C2)cc1 ZINC001347203723 1391027522 /nfs/dbraw/zinc/02/75/22/1391027522.db2.gz IIQQAGZTIVOPSA-GOSISDBHSA-N 0 0 337.467 3.301 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H]2[C@@H]2CCCOC2)c(C)n1-c1ccccn1 ZINC001347627113 1391102287 /nfs/dbraw/zinc/10/22/87/1391102287.db2.gz CDUZIKZNUZZIGM-AEFFLSMTSA-N 0 0 339.439 3.130 10 10 EGCERN CCCCN(C)c1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001348045050 1391164631 /nfs/dbraw/zinc/16/46/31/1391164631.db2.gz ADYKSQXTYYKHPB-UHFFFAOYSA-N 0 0 328.412 3.264 10 10 EGCERN O=C(NCc1cccc(O)c1O)[C@H](Cc1cccnc1)C1CCCC1 ZINC001349080013 1391301478 /nfs/dbraw/zinc/30/14/78/1391301478.db2.gz WRXPBMMRHIEUND-QGZVFWFLSA-N 0 0 340.423 3.158 10 10 EGCERN CN(C)c1ccc(CN(C(=O)[C@H]2Cc3cccnc3C2)C2CC2)cc1 ZINC001350759847 1391527164 /nfs/dbraw/zinc/52/71/64/1391527164.db2.gz VLBYJRVSNARJJF-KRWDZBQOSA-N 0 0 335.451 3.054 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1OCc2ccccc21 ZINC001350786816 1391531355 /nfs/dbraw/zinc/53/13/55/1391531355.db2.gz UFYLWJCWMUONRU-FQEVSTJZSA-N 0 0 349.434 3.134 10 10 EGCERN CC(C)n1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001351162380 1391606531 /nfs/dbraw/zinc/60/65/31/1391606531.db2.gz FXFMPCCAUFOUKG-UHFFFAOYSA-N 0 0 326.444 3.336 10 10 EGCERN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)Cn2ncnn2)cc1 ZINC001351446377 1391640101 /nfs/dbraw/zinc/64/01/01/1391640101.db2.gz ATRXZDNIPDPJSC-UHFFFAOYSA-N 0 0 335.371 3.344 10 10 EGCERN COc1c(F)nccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352628221 1391825997 /nfs/dbraw/zinc/82/59/97/1391825997.db2.gz YBJHXVDOAUJOAW-UHFFFAOYSA-N 0 0 343.402 3.102 10 10 EGCERN Cc1cc(CC(=O)Nc2nnc3ccccn32)c(C)n1-c1ccccc1 ZINC001353298958 1391985598 /nfs/dbraw/zinc/98/55/98/1391985598.db2.gz HAGILAWVMJMSLE-UHFFFAOYSA-N 0 0 345.406 3.318 10 10 EGCERN CCC[C@@H](OC)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354578343 1392154041 /nfs/dbraw/zinc/15/40/41/1392154041.db2.gz WLIUVTPXCKLGDQ-QGZVFWFLSA-N 0 0 337.375 3.216 10 10 EGCERN CCCN(C)c1nnc(CC2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709691569 1417447046 /nfs/dbraw/zinc/44/70/46/1417447046.db2.gz IXYPXJPLIQOIEJ-UHFFFAOYSA-N 0 0 345.466 3.330 10 10 EGCERN CCN(C)c1nnc(C)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001709911279 1417454828 /nfs/dbraw/zinc/45/48/28/1417454828.db2.gz CIJXLRUDWKEKAX-UHFFFAOYSA-N 0 0 327.476 3.327 10 10 EGCERN Cc1nnc(N2C[C@@H](C)[C@H](C)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001726368792 1427052273 /nfs/dbraw/zinc/05/22/73/1427052273.db2.gz XMUOQZVURHVXDA-HUUCEWRRSA-N 0 0 339.487 3.109 10 10 EGCERN CCOCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1O ZINC001747361542 1439988176 /nfs/dbraw/zinc/98/81/76/1439988176.db2.gz FRWXDYHSSJIECB-UHFFFAOYSA-N 0 0 346.475 3.245 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001761698474 1441373174 /nfs/dbraw/zinc/37/31/74/1441373174.db2.gz WLDAHRFXLBTEJX-GOEBONIOSA-N 0 0 341.503 3.492 10 10 EGCERN C[C@H]1C[C@@H]1n1c(-c2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001762767802 1441378194 /nfs/dbraw/zinc/37/81/94/1441378194.db2.gz JITNURWPIPSXBC-BBRMVZONSA-N 0 0 335.411 3.263 10 10 EGCERN COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1O ZINC000298338869 202288435 /nfs/dbraw/zinc/28/84/35/202288435.db2.gz DGECRWBPUICGLR-UHFFFAOYSA-N 0 0 340.423 3.272 10 10 EGCERN CC(=O)NN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000040867529 202466280 /nfs/dbraw/zinc/46/62/80/202466280.db2.gz HQQGNQITOUDFFT-LCYFTJDESA-N 0 0 334.466 3.236 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000180713065 455231968 /nfs/dbraw/zinc/23/19/68/455231968.db2.gz NFFHOWRLILEECH-LKUPDRCFSA-N 0 0 341.382 3.484 10 10 EGCERN O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1C1CC1 ZINC000008129872 453165094 /nfs/dbraw/zinc/16/50/94/453165094.db2.gz FPJIFRNAFHXRQD-HXUWFJFHSA-N 0 0 349.434 3.252 10 10 EGCERN COC1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 ZINC000044860354 454122324 /nfs/dbraw/zinc/12/23/24/454122324.db2.gz MWRHDOQKIIPVRL-UHFFFAOYSA-N 0 0 330.403 3.484 10 10 EGCERN C[C@@H](COc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000120900066 454362421 /nfs/dbraw/zinc/36/24/21/454362421.db2.gz HHFNACZEQPZLKT-HNNXBMFYSA-N 0 0 340.423 3.193 10 10 EGCERN Cc1csc(CNC(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000063361307 454409183 /nfs/dbraw/zinc/40/91/83/454409183.db2.gz DVUWMTATZDQOBL-UHFFFAOYSA-N 0 0 344.484 3.441 10 10 EGCERN O=C(/C=C/C1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000079923807 454499563 /nfs/dbraw/zinc/49/95/63/454499563.db2.gz WFQAGFLQDQBVAD-FPYGCLRLSA-N 0 0 336.382 3.339 10 10 EGCERN CC(C)C[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000184831508 455455511 /nfs/dbraw/zinc/45/55/11/455455511.db2.gz KFFGTFCNEFYHBL-AWEZNQCLSA-N 0 0 336.451 3.085 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1F ZINC000135441039 454677934 /nfs/dbraw/zinc/67/79/34/454677934.db2.gz OVSBFHQSQZXWAV-CQSZACIVSA-N 0 0 344.434 3.131 10 10 EGCERN CCc1cccc2c(CC(=O)NCc3cccc(OC)c3O)c[nH]c21 ZINC000109622055 454832514 /nfs/dbraw/zinc/83/25/14/454832514.db2.gz QSPDXHUGGXUTRN-UHFFFAOYSA-N 0 0 338.407 3.303 10 10 EGCERN Cc1nc([C@@H](NCc2cccc(C)c2O)c2ccccc2F)no1 ZINC000182243390 455469529 /nfs/dbraw/zinc/46/95/29/455469529.db2.gz CWCPHJURJGCBAI-INIZCTEOSA-N 0 0 327.359 3.410 10 10 EGCERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](CC)c1ccc(N(C)C)cc1 ZINC000167811531 454924193 /nfs/dbraw/zinc/92/41/93/454924193.db2.gz CKEFKEFPZPJMEZ-SJORKVTESA-N 0 0 327.476 3.482 10 10 EGCERN Cc1cc(Cl)cc(CN2CCN(Cc3ccccn3)CC2)c1O ZINC000179628415 455062854 /nfs/dbraw/zinc/06/28/54/455062854.db2.gz CTGGBGDDCWUXIY-UHFFFAOYSA-N 0 0 331.847 3.067 10 10 EGCERN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000245609821 455339400 /nfs/dbraw/zinc/33/94/00/455339400.db2.gz NYGVZZAQFFFWRG-SJKOYZFVSA-N 0 0 331.391 3.014 10 10 EGCERN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N)cc3)n2)cc1F ZINC000160366976 455451804 /nfs/dbraw/zinc/45/18/04/455451804.db2.gz UXDKDYLXBSTDMH-UHFFFAOYSA-N 0 0 340.358 3.338 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCO[C@@H]3C)cc2)CC1 ZINC000191476115 455488362 /nfs/dbraw/zinc/48/83/62/455488362.db2.gz PSBSCBZFXZYXEC-APWZRJJASA-N 0 0 330.472 3.354 10 10 EGCERN Cc1nnc([C@@H](N[C@@H](C)c2cc(F)ccc2O)c2ccccc2)[nH]1 ZINC000185324999 455540219 /nfs/dbraw/zinc/54/02/19/455540219.db2.gz LTXAFVPUWKGVRI-GTNSWQLSSA-N 0 0 326.375 3.398 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000186439701 455768898 /nfs/dbraw/zinc/76/88/98/455768898.db2.gz BGODIXXQKCDJEX-HONMWMINSA-N 0 0 347.361 3.227 10 10 EGCERN CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCOCC2 ZINC000186455171 455772526 /nfs/dbraw/zinc/77/25/26/455772526.db2.gz NNBNDNHPXLDUNT-GJZGRUSLSA-N 0 0 325.836 3.109 10 10 EGCERN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000293999079 455803193 /nfs/dbraw/zinc/80/31/93/455803193.db2.gz SRBUKKLXBDQIJZ-LBPRGKRZSA-N 0 0 328.815 3.065 10 10 EGCERN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000294410547 455815201 /nfs/dbraw/zinc/81/52/01/455815201.db2.gz WKKKFRINJJUXLL-QWRGUYRKSA-N 0 0 328.815 3.064 10 10 EGCERN CC(C)CCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294919933 455831998 /nfs/dbraw/zinc/83/19/98/455831998.db2.gz SYMHBBKSVZKUEP-UHFFFAOYSA-N 0 0 336.451 3.229 10 10 EGCERN CC(C)CCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000294943554 455833649 /nfs/dbraw/zinc/83/36/49/455833649.db2.gz VMDVABZHQAGJNC-UHFFFAOYSA-N 0 0 332.488 3.338 10 10 EGCERN COc1c([O-])c(C[NH2+][C@H]2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000278951692 455854113 /nfs/dbraw/zinc/85/41/13/455854113.db2.gz ZMDHZJGEKOHBBF-AWEZNQCLSA-N 0 0 332.331 3.225 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3C[C@@H](OC)C3)ccc21 ZINC000285925493 455943186 /nfs/dbraw/zinc/94/31/86/455943186.db2.gz GNKWZEOMOSAZPH-CALCHBBNSA-N 0 0 344.455 3.154 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(C)C(F)(F)F ZINC000280405527 455964568 /nfs/dbraw/zinc/96/45/68/455964568.db2.gz RQWGSAPXQRHGAZ-UHFFFAOYSA-N 0 0 330.350 3.457 10 10 EGCERN CCc1cc(NCc2cc(OC)ccc2O)nc(-c2ccccn2)n1 ZINC000301297641 456084470 /nfs/dbraw/zinc/08/44/70/456084470.db2.gz SVBWFBMAUGFYAP-UHFFFAOYSA-N 0 0 336.395 3.427 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2ccnn2C)c1O ZINC000281232449 456173162 /nfs/dbraw/zinc/17/31/62/456173162.db2.gz CJWJPFOEXNFWJM-QGZVFWFLSA-N 0 0 331.391 3.195 10 10 EGCERN CC(C)C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301668176 456179922 /nfs/dbraw/zinc/17/99/22/456179922.db2.gz NARINNQGKOSFEN-LBPRGKRZSA-N 0 0 333.388 3.188 10 10 EGCERN CCC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289938498 456188373 /nfs/dbraw/zinc/18/83/73/456188373.db2.gz WZMWIDURCUHAFW-UHFFFAOYSA-N 0 0 345.399 3.159 10 10 EGCERN COc1ccc(N2CCCN(c3nnc(C(C)C)s3)CC2)cc1 ZINC000301745665 456205222 /nfs/dbraw/zinc/20/52/22/456205222.db2.gz XIUPPCFZOZWYHG-UHFFFAOYSA-N 0 0 332.473 3.387 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1F ZINC000291952931 456809569 /nfs/dbraw/zinc/80/95/69/456809569.db2.gz UPZPTTNDXDUTLK-GOEBONIOSA-N 0 0 341.377 3.078 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)c(C)n1-c1cccc(C)c1 ZINC000361278412 457677041 /nfs/dbraw/zinc/67/70/41/457677041.db2.gz MBNUBNGFRRCXSZ-MRXNPFEDSA-N 0 0 348.450 3.413 10 10 EGCERN CN(C)c1ccc(CNc2cn(C)nc2-c2ccccn2)cc1F ZINC000374646934 457679983 /nfs/dbraw/zinc/67/99/83/457679983.db2.gz RKNSNBGTYZGBTI-UHFFFAOYSA-N 0 0 325.391 3.299 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365942622 457786171 /nfs/dbraw/zinc/78/61/71/457786171.db2.gz WDTOAGVWYMIJNA-UHFFFAOYSA-N 0 0 337.782 3.018 10 10 EGCERN Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(Cl)cc(C)c1O ZINC000367748903 457977294 /nfs/dbraw/zinc/97/72/94/457977294.db2.gz KNKUAMAKLNILNW-OAHLLOKOSA-N 0 0 335.835 3.267 10 10 EGCERN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2cc(F)ccc2O)cc1 ZINC000371532880 457978231 /nfs/dbraw/zinc/97/82/31/457978231.db2.gz BPBWKQZADZDADJ-KRWDZBQOSA-N 0 0 344.386 3.143 10 10 EGCERN COCc1nc(C)cc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000362034021 458016261 /nfs/dbraw/zinc/01/62/61/458016261.db2.gz WMGFOSOXPGEPBW-UHFFFAOYSA-N 0 0 330.819 3.274 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000513685372 548015480 /nfs/dbraw/zinc/01/54/80/548015480.db2.gz ZBFUWFZTWIQOLA-NWDGAFQWSA-N 0 0 342.361 3.457 10 10 EGCERN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cn[nH]c1 ZINC000676866698 549168114 /nfs/dbraw/zinc/16/81/14/549168114.db2.gz RMPULYJMAOJDRY-BJMVGYQFSA-N 0 0 332.285 3.083 10 10 EGCERN CCn1c(COC(=O)c2ccc(C)c(O)c2O)nc2cc(F)ccc21 ZINC000727515850 574672603 /nfs/dbraw/zinc/67/26/03/574672603.db2.gz LPBJIHOKDOOKST-UHFFFAOYSA-N 0 0 344.342 3.272 10 10 EGCERN Cc1cc(C(=O)OC[C@H]2COCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000729099468 574814004 /nfs/dbraw/zinc/81/40/04/574814004.db2.gz FCOPDGBXIQYAOT-MRXNPFEDSA-N 0 0 349.814 3.320 10 10 EGCERN Cc1cc(C(=O)OC[C@@H]2COCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000729102173 574814127 /nfs/dbraw/zinc/81/41/27/574814127.db2.gz UBLIUQRICVVPLS-INIZCTEOSA-N 0 0 349.814 3.320 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@]2(C)CCCc3ccccc32)c1 ZINC000734019119 575427805 /nfs/dbraw/zinc/42/78/05/575427805.db2.gz YBSRWMIFKKMJPB-FQEVSTJZSA-N 0 0 325.408 3.311 10 10 EGCERN Cc1cc(C(=O)N2CCN(C3CC3)CC2)c(C)n1-c1ccccc1C ZINC000742446779 576785043 /nfs/dbraw/zinc/78/50/43/576785043.db2.gz LOHBMFKTGSSMRQ-UHFFFAOYSA-N 0 0 337.467 3.323 10 10 EGCERN O=C(/C=C\C1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000742619649 576791972 /nfs/dbraw/zinc/79/19/72/576791972.db2.gz WFQAGFLQDQBVAD-BAQGIRSFSA-N 0 0 336.382 3.339 10 10 EGCERN CCCCN1C(=O)/C(=C/c2cccc(OC)c2)C(C(=O)OC)=C1C ZINC000006882039 1291053299 /nfs/dbraw/zinc/05/32/99/1291053299.db2.gz HJTKIBBSOMDKPI-FOWTUZBSSA-N 0 0 329.396 3.168 10 10 EGCERN COc1cccc(CNC(=O)NCc2oc3ccccc3c2C)c1O ZINC000074268432 1292343383 /nfs/dbraw/zinc/34/33/83/1292343383.db2.gz APJBIBXNMUXPRI-UHFFFAOYSA-N 0 0 340.379 3.455 10 10 EGCERN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1O ZINC000175931581 1294581368 /nfs/dbraw/zinc/58/13/68/1294581368.db2.gz DESFJDGZGHJFIN-GXTWGEPZSA-N 0 0 333.334 3.099 10 10 EGCERN CN(C)c1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1 ZINC000180110474 1294860523 /nfs/dbraw/zinc/86/05/23/1294860523.db2.gz JJXGGRZKPPZAIE-UHFFFAOYSA-N 0 0 330.863 3.123 10 10 EGCERN CO[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190402927 1295588242 /nfs/dbraw/zinc/58/82/42/1295588242.db2.gz JRZQIBCQRFLZTK-HKUYNNGSSA-N 0 0 345.487 3.386 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@H](OC)C2)cc1F ZINC000191380298 1295675669 /nfs/dbraw/zinc/67/56/69/1295675669.db2.gz XQWWLUWOPVRBTC-GJZGRUSLSA-N 0 0 337.439 3.039 10 10 EGCERN CO[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000870709927 1296035117 /nfs/dbraw/zinc/03/51/17/1296035117.db2.gz WZFPAUBQEXXIPM-XJKSGUPXSA-N 0 0 327.428 3.129 10 10 EGCERN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)C(=O)c1cccc(F)c1 ZINC000871202449 1296271082 /nfs/dbraw/zinc/27/10/82/1296271082.db2.gz HQTHWZTZVQCISP-LBPRGKRZSA-N 0 0 327.355 3.283 10 10 EGCERN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871203759 1296271373 /nfs/dbraw/zinc/27/13/73/1296271373.db2.gz GFPIUWCTIHSTDV-GDBMZVCRSA-N 0 0 339.391 3.055 10 10 EGCERN COc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1OC(C)C ZINC000871207080 1296273198 /nfs/dbraw/zinc/27/31/98/1296273198.db2.gz JGDXOUCZYNLCCO-UHFFFAOYSA-N 0 0 327.380 3.344 10 10 EGCERN COCCCOc1ccccc1NCc1nccn1CC(F)F ZINC000871824487 1296548034 /nfs/dbraw/zinc/54/80/34/1296548034.db2.gz FDJVYCCVBRHWNH-UHFFFAOYSA-N 0 0 325.359 3.176 10 10 EGCERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(-n2cccn2)cc1 ZINC000588405592 1298057942 /nfs/dbraw/zinc/05/79/42/1298057942.db2.gz BPDHFKKSXCJILL-IUZNHRGFSA-N 0 0 349.390 3.174 10 10 EGCERN CCCO[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715818178 1298287860 /nfs/dbraw/zinc/28/78/60/1298287860.db2.gz MTHOGWFMFCWMIF-LBPRGKRZSA-N 0 0 332.213 3.295 10 10 EGCERN C[C@@]1(C(=O)NCCCSc2nccs2)OCCc2ccccc21 ZINC000878834346 1300216229 /nfs/dbraw/zinc/21/62/29/1300216229.db2.gz OWFSSHYXIAEMND-QGZVFWFLSA-N 0 0 348.493 3.230 10 10 EGCERN CC(=O)c1cncc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000891686803 1305135029 /nfs/dbraw/zinc/13/50/29/1305135029.db2.gz NDLGWEPEVMZSET-AWEZNQCLSA-N 0 0 339.439 3.020 10 10 EGCERN COC(=O)c1cnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000893929423 1306133660 /nfs/dbraw/zinc/13/36/60/1306133660.db2.gz RQLHIWNTCLGBGB-UHFFFAOYSA-N 0 0 345.468 3.160 10 10 EGCERN COC(=O)c1c(CNc2cnn(C(C)C)c2)c2cc(F)ccc2n1C ZINC000894395006 1308853944 /nfs/dbraw/zinc/85/39/44/1308853944.db2.gz ZLYWLZVMADDUGP-UHFFFAOYSA-N 0 0 344.390 3.494 10 10 EGCERN CCOc1ccc(CN2CCn3cnc(C(F)(F)F)c3C2)c(O)c1 ZINC000895561462 1309403114 /nfs/dbraw/zinc/40/31/14/1309403114.db2.gz BRDWZJYXGUIHBR-UHFFFAOYSA-N 0 0 341.333 3.022 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000895620057 1309432024 /nfs/dbraw/zinc/43/20/24/1309432024.db2.gz PWDNPDBWEGSWII-ZDUSSCGKSA-N 0 0 338.835 3.337 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895695136 1309471343 /nfs/dbraw/zinc/47/13/43/1309471343.db2.gz ROZUOQFMMHSSED-UHFFFAOYSA-N 0 0 332.227 3.080 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000895749108 1309503596 /nfs/dbraw/zinc/50/35/96/1309503596.db2.gz MGZOOHIERPSEFC-LBPRGKRZSA-N 0 0 327.758 3.017 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000895901662 1309586813 /nfs/dbraw/zinc/58/68/13/1309586813.db2.gz SEWLCPPIIMLDSS-SNVBAGLBSA-N 0 0 343.408 3.055 10 10 EGCERN CC(C)n1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000896495849 1309883641 /nfs/dbraw/zinc/88/36/41/1309883641.db2.gz GZRNHRVOCDWAIQ-UHFFFAOYSA-N 0 0 331.397 3.020 10 10 EGCERN CC(C)C[C@@H](CCO)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896787824 1310013902 /nfs/dbraw/zinc/01/39/02/1310013902.db2.gz OCZINDYZKRKEPE-LLVKDONJSA-N 0 0 337.441 3.087 10 10 EGCERN Cc1nc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)sc1C ZINC000897000986 1310129796 /nfs/dbraw/zinc/12/97/96/1310129796.db2.gz BZUMEQPWKOJDKL-UHFFFAOYSA-N 0 0 348.449 3.358 10 10 EGCERN O=C(NC[C@H](CO)CC1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897653883 1310423570 /nfs/dbraw/zinc/42/35/70/1310423570.db2.gz YCUIAHDMINEFLV-GFCCVEGCSA-N 0 0 349.452 3.231 10 10 EGCERN C[C@@H]1CC2(CN1C(=O)c1cc3cc(O)c(O)cc3s1)CCOCC2 ZINC000898105587 1310593477 /nfs/dbraw/zinc/59/34/77/1310593477.db2.gz KPTOCMIGTSNEND-LLVKDONJSA-N 0 0 347.436 3.344 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)/C=C/C=C(Cl)Cl)C2)cc1 ZINC000898580789 1310795604 /nfs/dbraw/zinc/79/56/04/1310795604.db2.gz OISTXBMGRVOIOG-FXMSTWTQSA-N 0 0 341.238 3.265 10 10 EGCERN CC(C)Oc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)nc1 ZINC000857472053 1328538995 /nfs/dbraw/zinc/53/89/95/1328538995.db2.gz FMSSPPUVTDQBLX-UHFFFAOYSA-N 0 0 340.423 3.383 10 10 EGCERN Cc1cc(C(=O)N[C@H]2Cc3cncn3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000857890484 1328616334 /nfs/dbraw/zinc/61/63/34/1328616334.db2.gz WMRKHPZHTXUVTH-KRWDZBQOSA-N 0 0 348.450 3.262 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000929527043 1328626822 /nfs/dbraw/zinc/62/68/22/1328626822.db2.gz BGTXWNIPQBQAND-CABCVRRESA-N 0 0 344.377 3.211 10 10 EGCERN COCCOc1cc(C)ccc1NC(=O)NCc1c(O)cccc1F ZINC000929830597 1328712498 /nfs/dbraw/zinc/71/24/98/1328712498.db2.gz IBEMFMYKYPBUPL-UHFFFAOYSA-N 0 0 348.374 3.187 10 10 EGCERN COc1ccc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000858258122 1328724873 /nfs/dbraw/zinc/72/48/73/1328724873.db2.gz VJPDDEINZDUKNC-UHFFFAOYSA-N 0 0 334.347 3.473 10 10 EGCERN C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000858483569 1328775919 /nfs/dbraw/zinc/77/59/19/1328775919.db2.gz SKVWCJFOIYKSSJ-LBPRGKRZSA-N 0 0 347.377 3.139 10 10 EGCERN CCO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000915503792 1319492488 /nfs/dbraw/zinc/49/24/88/1319492488.db2.gz ZQMJYEKYNNNXQE-AWEZNQCLSA-N 0 0 347.386 3.384 10 10 EGCERN CN(Cc1cnn(-c2ccccc2)n1)Cc1cc2c(cc1O)CCC2 ZINC000917453807 1319812137 /nfs/dbraw/zinc/81/21/37/1319812137.db2.gz QEMFGQBUSXFCMK-UHFFFAOYSA-N 0 0 334.423 3.094 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2Cc1ccncc1Br ZINC000859216369 1328949118 /nfs/dbraw/zinc/94/91/18/1328949118.db2.gz BINCICKBUPNAST-UHFFFAOYSA-N 0 0 348.244 3.309 10 10 EGCERN COc1cc2c(c(OC)c1)N(CCOC1CCSCC1)CCC2 ZINC000930722172 1328949463 /nfs/dbraw/zinc/94/94/63/1328949463.db2.gz LVZHQTUDKJBLJA-UHFFFAOYSA-N 0 0 337.485 3.369 10 10 EGCERN COCCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000919359585 1322060955 /nfs/dbraw/zinc/06/09/55/1322060955.db2.gz NVMZBCOASYOQFU-UHFFFAOYSA-N 0 0 347.386 3.386 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000921554528 1322350006 /nfs/dbraw/zinc/35/00/06/1322350006.db2.gz BVRZOFRAHYCTTC-MORSLUCNSA-N 0 0 326.371 3.059 10 10 EGCERN CO[C@@H]1CCOc2c(NC(=O)N3Cc4cccc(O)c4C3)cccc21 ZINC000931160920 1329064069 /nfs/dbraw/zinc/06/40/69/1329064069.db2.gz XRCWYJZQYBBNKV-QGZVFWFLSA-N 0 0 340.379 3.410 10 10 EGCERN CC[C@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794888 1325304620 /nfs/dbraw/zinc/30/46/20/1325304620.db2.gz VWZFGDOENOYOFJ-CJNGLKHVSA-N 0 0 338.879 3.245 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000926308623 1325511216 /nfs/dbraw/zinc/51/12/16/1325511216.db2.gz GUPVMRMWMMVXOC-OCCSQVGLSA-N 0 0 346.349 3.034 10 10 EGCERN C[C@H](NC(=O)NCc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1O ZINC000926471145 1325565628 /nfs/dbraw/zinc/56/56/28/1325565628.db2.gz PROCJNHWJBQJFE-OLZOCXBDSA-N 0 0 326.396 3.276 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)C(F)(F)F)C2)cc1 ZINC000862035294 1329456253 /nfs/dbraw/zinc/45/62/53/1329456253.db2.gz PPCMKEQCBDOHHS-CHWSQXEVSA-N 0 0 344.377 3.226 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@@H]1CCOC1 ZINC000860773158 1329353827 /nfs/dbraw/zinc/35/38/27/1329353827.db2.gz OHFSSJOGKJQTBU-MRXNPFEDSA-N 0 0 340.423 3.063 10 10 EGCERN C[C@H](NC(=O)c1c(Cl)nn(C)c1Cl)c1ccc(N(C)C)cc1 ZINC000860951010 1329372207 /nfs/dbraw/zinc/37/22/07/1329372207.db2.gz WSPQJDCFYGVXBI-VIFPVBQESA-N 0 0 341.242 3.284 10 10 EGCERN C[C@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCS1 ZINC000927246403 1327930073 /nfs/dbraw/zinc/93/00/73/1327930073.db2.gz OHEWIDZTNRPMSD-GXTWGEPZSA-N 0 0 334.485 3.354 10 10 EGCERN C[C@H](NC(=O)NCC[C@@H]1OCCc2ccccc21)c1ccccc1O ZINC000927675422 1328100876 /nfs/dbraw/zinc/10/08/76/1328100876.db2.gz XHTGWMLABSPOEA-LIRRHRJNSA-N 0 0 340.423 3.457 10 10 EGCERN Cc1ccc(C2(C(=O)NCc3c(O)cccc3F)CCOCC2)cc1 ZINC000928704950 1328403825 /nfs/dbraw/zinc/40/38/25/1328403825.db2.gz GNIZLWUOFLLECK-UHFFFAOYSA-N 0 0 343.398 3.204 10 10 EGCERN Cc1c(C(=O)NCc2c(O)cccc2F)cnn1C1CCCCC1 ZINC000928709043 1328405275 /nfs/dbraw/zinc/40/52/75/1328405275.db2.gz WNXOJXGDWYLGES-UHFFFAOYSA-N 0 0 331.391 3.471 10 10 EGCERN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccnn3)cc2Cl)C1 ZINC000861538009 1329425059 /nfs/dbraw/zinc/42/50/59/1329425059.db2.gz KEOUAXYGMSMMMD-CYBMUJFWSA-N 0 0 344.846 3.296 10 10 EGCERN COc1cnc(F)c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000861584469 1329428047 /nfs/dbraw/zinc/42/80/47/1329428047.db2.gz XEHIFLNQXVLKEH-LLVKDONJSA-N 0 0 332.379 3.178 10 10 EGCERN CCc1cc(Cl)cnc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000861608063 1329430828 /nfs/dbraw/zinc/43/08/28/1329430828.db2.gz JEPOQIJRWAKEQE-SNVBAGLBSA-N 0 0 349.818 3.461 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCOC2(C)C)c1 ZINC000861867728 1329446986 /nfs/dbraw/zinc/44/69/86/1329446986.db2.gz HECAPKDRCMNQCL-SFHVURJKSA-N 0 0 340.423 3.204 10 10 EGCERN COCCC1CN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000861961203 1329453327 /nfs/dbraw/zinc/45/33/27/1329453327.db2.gz TZLGNVFVLOTQPT-UHFFFAOYSA-N 0 0 340.423 3.015 10 10 EGCERN CC(=O)CCCCCCC(=O)NCc1ccc2cccnc2c1O ZINC000862026894 1329455807 /nfs/dbraw/zinc/45/58/07/1329455807.db2.gz BWXCOGWFVABHII-UHFFFAOYSA-N 0 0 328.412 3.486 10 10 EGCERN COc1ccc(N(C)C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000862118426 1329459934 /nfs/dbraw/zinc/45/99/34/1329459934.db2.gz AHYSGYBYFBVQNS-AWEZNQCLSA-N 0 0 346.427 3.272 10 10 EGCERN C[C@]1(C2CC2)CN(Cc2c(O)cccc2Br)CCO1 ZINC000862409385 1329484018 /nfs/dbraw/zinc/48/40/18/1329484018.db2.gz SUHFJPDXQGBKTM-OAHLLOKOSA-N 0 0 326.234 3.156 10 10 EGCERN CN(C)c1cc(F)c(CN2CCO[C@@H](CC(F)(F)F)C2)cc1F ZINC000862418343 1329484401 /nfs/dbraw/zinc/48/44/01/1329484401.db2.gz OEUKSTQVUTZJGB-NSHDSACASA-N 0 0 338.320 3.184 10 10 EGCERN Cc1cc(C(=O)N2CCC(=O)CC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000862774726 1329507980 /nfs/dbraw/zinc/50/79/80/1329507980.db2.gz QPQATUSPSPWKLW-UHFFFAOYSA-N 0 0 339.439 3.320 10 10 EGCERN C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000863547745 1329562493 /nfs/dbraw/zinc/56/24/93/1329562493.db2.gz XNRLRJDEDWQRCH-YVZVNANGSA-N 0 0 333.657 3.209 10 10 EGCERN Cc1ccccc1[C@H]1C(=O)NCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000863949292 1329591034 /nfs/dbraw/zinc/59/10/34/1329591034.db2.gz CTTVMLQWPDDFAX-LHFJYWTJSA-N 0 0 349.478 3.247 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000864949193 1329654700 /nfs/dbraw/zinc/65/47/00/1329654700.db2.gz GZMAWFBKHRXEMQ-JEDBISTDSA-N 0 0 328.456 3.026 10 10 EGCERN O=C1N=C(N2CCCCC2)S/C1=C/c1cnc(Cl)c(F)c1 ZINC000865217711 1329676729 /nfs/dbraw/zinc/67/67/29/1329676729.db2.gz NOUFCNKLVMPZKP-YRNVUSSQSA-N 0 0 325.796 3.330 10 10 EGCERN C[C@@H](Nc1ccc([C@H](C)O)cn1)c1ccc(N2CCOCC2)cc1 ZINC000865468553 1329701806 /nfs/dbraw/zinc/70/18/06/1329701806.db2.gz BEIVEXKGFBNAKW-CABCVRRESA-N 0 0 327.428 3.145 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@]34CCC[C@H]3OCC4)cc2)CC1 ZINC000865604192 1329718874 /nfs/dbraw/zinc/71/88/74/1329718874.db2.gz UADMBAXGLAFNCL-CTNGQTDRSA-N 0 0 342.483 3.498 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000865903479 1329750720 /nfs/dbraw/zinc/75/07/20/1329750720.db2.gz CCLHQEKNUHVNIU-BYICEURKSA-N 0 0 342.483 3.463 10 10 EGCERN CCOC(=O)CCc1cc(N[C@@H](C)c2ccccc2O)nc(C)n1 ZINC000866239615 1330083660 /nfs/dbraw/zinc/08/36/60/1330083660.db2.gz VZJSBFZGCODXAP-LBPRGKRZSA-N 0 0 329.400 3.159 10 10 EGCERN C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000866413472 1330108763 /nfs/dbraw/zinc/10/87/63/1330108763.db2.gz RVHIANYCJGVYKO-QWRGUYRKSA-N 0 0 347.286 3.195 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)[C@@H](C)O1 ZINC000866595960 1330130984 /nfs/dbraw/zinc/13/09/84/1330130984.db2.gz YIUWJICBANVBKW-CKEIUWERSA-N 0 0 329.396 3.328 10 10 EGCERN COC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868330496 1330271659 /nfs/dbraw/zinc/27/16/59/1330271659.db2.gz GEPDNSLICZKIAV-HOCLYGCPSA-N 0 0 328.412 3.010 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1O ZINC000868455616 1330282108 /nfs/dbraw/zinc/28/21/08/1330282108.db2.gz KYEPSUBHSWZHLY-FDEJFUCISA-N 0 0 338.498 3.132 10 10 EGCERN C[C@H](NC(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccccc1O ZINC000868756031 1330333961 /nfs/dbraw/zinc/33/39/61/1330333961.db2.gz ZORFNDMQUAYULS-WDMOLILDSA-N 0 0 346.349 3.252 10 10 EGCERN C[C@@H](NC(=O)N[C@H]1C[C@H](Oc2ccccc2)C1)c1ccccc1O ZINC000868771762 1330338582 /nfs/dbraw/zinc/33/85/82/1330338582.db2.gz GXEGOHZQXJRPJK-IIAWOOMASA-N 0 0 326.396 3.362 10 10 EGCERN C[C@H](NC(=O)N[C@H]1C[C@H](Oc2ccccc2)C1)c1ccccc1O ZINC000868771761 1330338703 /nfs/dbraw/zinc/33/87/03/1330338703.db2.gz GXEGOHZQXJRPJK-DZKIICNBSA-N 0 0 326.396 3.362 10 10 EGCERN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCC34CC4)CC2)cc1 ZINC000868843677 1330358204 /nfs/dbraw/zinc/35/82/04/1330358204.db2.gz GUYHNRHPUDXACL-GOSISDBHSA-N 0 0 343.471 3.250 10 10 EGCERN O=C(NCc1cccc(Br)c1O)N[C@H]1CCCC12CC2 ZINC000868846537 1330359655 /nfs/dbraw/zinc/35/96/55/1330359655.db2.gz MTFHJTXNLAZHLW-LBPRGKRZSA-N 0 0 339.233 3.287 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C1([C@@H]2CCCCO2)CCC1 ZINC000868937648 1330378399 /nfs/dbraw/zinc/37/83/99/1330378399.db2.gz LZPLGLTXNGOTHW-INIZCTEOSA-N 0 0 340.423 3.296 10 10 EGCERN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@](C)(CO)C2)c1 ZINC001325136409 1387903699 /nfs/dbraw/zinc/90/36/99/1387903699.db2.gz OFFFROFUBMUXFR-OAHLLOKOSA-N 0 0 328.250 3.058 10 10 EGCERN CCOC(=O)[C@H](Cc1ccccc1)NCc1ccc(N(C)C)c(C)c1 ZINC001196735808 1368672678 /nfs/dbraw/zinc/67/26/78/1368672678.db2.gz IAIMQRBTFOVDEZ-IBGZPJMESA-N 0 0 340.467 3.325 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)NC1([C@@H]2CCCO2)CCC1 ZINC001123484006 1372485708 /nfs/dbraw/zinc/48/57/08/1372485708.db2.gz MCBXTIKNRRHKNY-SFHVURJKSA-N 0 0 343.471 3.188 10 10 EGCERN CC1=CC(C)=S=C1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001126880583 1373046542 /nfs/dbraw/zinc/04/65/42/1373046542.db2.gz ZQPCXCDESXSZFH-UHFFFAOYSA-N 0 0 327.365 3.139 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ncc2ccccn21 ZINC001129820584 1373425558 /nfs/dbraw/zinc/42/55/58/1373425558.db2.gz XGQXGCAARLIHBC-OAHLLOKOSA-N 0 0 336.439 3.070 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ncc2ccccn21 ZINC001129820583 1373425896 /nfs/dbraw/zinc/42/58/96/1373425896.db2.gz XGQXGCAARLIHBC-HNNXBMFYSA-N 0 0 336.439 3.070 10 10 EGCERN CC[C@H](C)[C@](C)(O)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001230194653 1375965465 /nfs/dbraw/zinc/96/54/65/1375965465.db2.gz DGGHZOGCAXCXSD-RZQQEMMASA-N 0 0 349.519 3.088 10 10 EGCERN CO[C@@H](C)CNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001230764052 1376142889 /nfs/dbraw/zinc/14/28/89/1376142889.db2.gz JWWMRBNNFNEDQK-HNNXBMFYSA-N 0 0 329.444 3.237 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2nc(Cl)sc2Cl)cc1 ZINC001135825492 1377222923 /nfs/dbraw/zinc/22/29/23/1377222923.db2.gz VYDHGUGYSUTWCP-UHFFFAOYSA-N 0 0 330.240 3.446 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2ccncc2)ccc1C ZINC001135990107 1377289205 /nfs/dbraw/zinc/28/92/05/1377289205.db2.gz IZBBCPHMSWKCHH-UHFFFAOYSA-N 0 0 333.391 3.284 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCc2cccnc21 ZINC001136025403 1377303149 /nfs/dbraw/zinc/30/31/49/1377303149.db2.gz IYXMLHLMMXRJMX-IBGZPJMESA-N 0 0 335.451 3.370 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ncccc1F ZINC001136025602 1377303161 /nfs/dbraw/zinc/30/31/61/1377303161.db2.gz QMMZFGLYDRNWOM-UHFFFAOYSA-N 0 0 327.403 3.022 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCCc2c(F)cccc2F)cc1 ZINC001136297828 1377374429 /nfs/dbraw/zinc/37/44/29/1377374429.db2.gz OQGSELLGHLTIEP-UHFFFAOYSA-N 0 0 332.310 3.100 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CC(F)(F)F)cc1 ZINC001136925188 1377440938 /nfs/dbraw/zinc/44/09/38/1377440938.db2.gz MTDUQHYWSWSENX-UHFFFAOYSA-N 0 0 325.286 3.384 10 10 EGCERN CC[C@H](C)[C@@H](O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137355606 1377532092 /nfs/dbraw/zinc/53/20/92/1377532092.db2.gz NTSBXGXCRLARKI-LIRRHRJNSA-N 0 0 328.456 3.160 10 10 EGCERN Cc1onc(-c2cccc(F)c2)c1C(=O)NCc1ccccc1O ZINC001137471504 1377553980 /nfs/dbraw/zinc/55/39/80/1377553980.db2.gz OGNSVDCFMGABSR-UHFFFAOYSA-N 0 0 326.327 3.425 10 10 EGCERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001141477843 1378331465 /nfs/dbraw/zinc/33/14/65/1378331465.db2.gz APPXNMTWLYUTOY-UHFFFAOYSA-N 0 0 341.327 3.029 10 10 EGCERN CCO[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC001142465964 1378446123 /nfs/dbraw/zinc/44/61/23/1378446123.db2.gz ZEPWMSCGYCDEEJ-IBGZPJMESA-N 0 0 330.472 3.281 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2ccncc2c1 ZINC001142731416 1378482734 /nfs/dbraw/zinc/48/27/34/1378482734.db2.gz YIQQYEATRVYOAZ-UHFFFAOYSA-N 0 0 329.359 3.419 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2ccccc2n1 ZINC001142728233 1378482781 /nfs/dbraw/zinc/48/27/81/1378482781.db2.gz OZQLJQLMOMZXFR-UHFFFAOYSA-N 0 0 329.359 3.419 10 10 EGCERN CC[C@H](CNC(=O)c1sccc1-n1c(C)ccc1C)C(=O)OC ZINC001143221446 1378564483 /nfs/dbraw/zinc/56/44/83/1378564483.db2.gz YGKPISUDSHCDHI-CYBMUJFWSA-N 0 0 334.441 3.085 10 10 EGCERN Cc1ccc(-n2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)n2)cc1 ZINC001144259634 1378706404 /nfs/dbraw/zinc/70/64/04/1378706404.db2.gz DBECSHYVFKNFMF-WEVVVXLNSA-N 0 0 335.363 3.244 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CCF)C2)cc1F ZINC001327697544 1388587589 /nfs/dbraw/zinc/58/75/89/1388587589.db2.gz HASLUBCWOOCDTL-ZDUSSCGKSA-N 0 0 325.403 3.173 10 10 EGCERN COc1ccc2cccc(CC(=O)NCc3cc(O)ccc3O)c2c1 ZINC001153885896 1380149602 /nfs/dbraw/zinc/14/96/02/1380149602.db2.gz RMLNYTUZOSWQFJ-UHFFFAOYSA-N 0 0 337.375 3.119 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)[C@H](c1ccccc1)n1cccn1 ZINC001159033622 1381527815 /nfs/dbraw/zinc/52/78/15/1381527815.db2.gz KWCSJYCKASFTLU-INIZCTEOSA-N 0 0 341.798 3.148 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](CF)C2)CCCC1 ZINC001288289207 1381768349 /nfs/dbraw/zinc/76/83/49/1381768349.db2.gz AYRWXSADBHKYCN-CQSZACIVSA-N 0 0 344.430 3.347 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H](O)C2CCCCCCC2)cc1F ZINC001292282750 1382179568 /nfs/dbraw/zinc/17/95/68/1382179568.db2.gz OTERHYXZFIMVSJ-SFHVURJKSA-N 0 0 336.451 3.229 10 10 EGCERN CO[C@@H]1Cc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2C1 ZINC001296302691 1382954671 /nfs/dbraw/zinc/95/46/71/1382954671.db2.gz CDVUOSLQJVLPFA-MRXNPFEDSA-N 0 0 338.367 3.215 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cn(C3CCC3)nn2)cc1 ZINC001164167976 1383162214 /nfs/dbraw/zinc/16/22/14/1383162214.db2.gz OYNMWGOQNXUYIO-UHFFFAOYSA-N 0 0 349.438 3.341 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2cccnc21 ZINC001299721973 1383623275 /nfs/dbraw/zinc/62/32/75/1383623275.db2.gz XWVPQMNYZLIONV-UHFFFAOYSA-N 0 0 329.359 3.419 10 10 EGCERN O=C(/C=C/c1ccc(Cl)nc1)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001300168190 1383649717 /nfs/dbraw/zinc/64/97/17/1383649717.db2.gz JCVLYCWZRPVATG-IYNGYCSASA-N 0 0 346.789 3.085 10 10 EGCERN CC1(C)[C@H](O)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307103550 1383940917 /nfs/dbraw/zinc/94/09/17/1383940917.db2.gz LACZLBAMKTXCRB-DLBZAZTESA-N 0 0 340.379 3.397 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ncnc2[nH]c(Cl)cc21 ZINC001307144013 1383945061 /nfs/dbraw/zinc/94/50/61/1383945061.db2.gz UUWSOSNFXMPMDR-LBPRGKRZSA-N 0 0 343.862 3.451 10 10 EGCERN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCN1CCOC[C@H]1C ZINC001307864039 1384045788 /nfs/dbraw/zinc/04/57/88/1384045788.db2.gz LXELLYYCSNWMPU-SJLPKXTDSA-N 0 0 332.488 3.051 10 10 EGCERN CO[C@H]1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001313133925 1384398836 /nfs/dbraw/zinc/39/88/36/1384398836.db2.gz WBKFOBKXNFNFPJ-SFHVURJKSA-N 0 0 327.428 3.024 10 10 EGCERN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)sc2nc(C)nc(N)c12 ZINC001171731069 1384617235 /nfs/dbraw/zinc/61/72/35/1384617235.db2.gz XDLNKXNDEBXNGE-VIFPVBQESA-N 0 0 342.424 3.087 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001329032887 1388938356 /nfs/dbraw/zinc/93/83/56/1388938356.db2.gz YMRKFEILMAKCGE-BNOWGMLFSA-N 0 0 336.382 3.159 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c1 ZINC001320822555 1386729110 /nfs/dbraw/zinc/72/91/10/1386729110.db2.gz LZLZZGFULWHSHY-CABCVRRESA-N 0 0 341.293 3.426 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@@H](O)c2cccnc2)cc1 ZINC001180210380 1386733884 /nfs/dbraw/zinc/73/38/84/1386733884.db2.gz CLVPVLITVDOBHN-HXUWFJFHSA-N 0 0 349.434 3.295 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)N[C@H]1C=CCCC1 ZINC001322836508 1387244280 /nfs/dbraw/zinc/24/42/80/1387244280.db2.gz OIICFJIBGPCSGL-LBPRGKRZSA-N 0 0 325.206 3.063 10 10 EGCERN O=C(NCCCSc1nccs1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001330885247 1389554401 /nfs/dbraw/zinc/55/44/01/1389554401.db2.gz FXZOPCHHJOWWGV-OUAUKWLOSA-N 0 0 332.441 3.423 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[O-] ZINC001333847532 1390421118 /nfs/dbraw/zinc/42/11/18/1390421118.db2.gz SWGONRCNQWUZIW-OUAUKWLOSA-N 0 0 332.734 3.477 10 10 EGCERN CN(C)c1ccc(/C=C\C[NH2+]CC[C@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC001334057772 1390469225 /nfs/dbraw/zinc/46/92/25/1390469225.db2.gz WNMDKFUALYMGJX-VQTKUKTRSA-N 0 0 344.377 3.399 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2Cc3cccnc3C2)cc1F ZINC001345919621 1390893620 /nfs/dbraw/zinc/89/36/20/1390893620.db2.gz FMSJGCHYAWEEFY-MRXNPFEDSA-N 0 0 341.430 3.098 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)C3(C)CC3)C2)cc1 ZINC001346330849 1390922837 /nfs/dbraw/zinc/92/28/37/1390922837.db2.gz POKUIQHOVIPNCZ-LSDHHAIUSA-N 0 0 331.460 3.009 10 10 EGCERN Nc1ccc(Cc2nc(C(=O)NC3CC4(CC4(F)F)C3)cs2)cc1 ZINC001347158765 1391015645 /nfs/dbraw/zinc/01/56/45/1391015645.db2.gz CMRKSSFFYWBLEB-UHFFFAOYSA-N 0 0 349.406 3.234 10 10 EGCERN CCOC(=O)CN(C(=O)/C=C\c1cccnc1C)c1ccccc1F ZINC001355075963 1392191726 /nfs/dbraw/zinc/19/17/26/1392191726.db2.gz QOKBBXOMSLQGET-KHPPLWFESA-N 0 0 342.370 3.139 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC001479333814 1392217526 /nfs/dbraw/zinc/21/75/26/1392217526.db2.gz APEFQLVIGABKMR-FRQCXROJSA-N 0 0 345.487 3.209 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1OCc2ccccc21 ZINC001687844175 1396509158 /nfs/dbraw/zinc/50/91/58/1396509158.db2.gz KRPICSDCVSHRHF-INIZCTEOSA-N 0 0 332.787 3.116 10 10 EGCERN CO[C@@H](Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O)C1CC1 ZINC001697146762 1406124376 /nfs/dbraw/zinc/12/43/76/1406124376.db2.gz NYYFJPXEIBWHAC-KRWDZBQOSA-N 0 0 344.459 3.169 10 10 EGCERN CC[C@@H]1CCN(c2nnc(C)n2CCCSc2nccs2)C1 ZINC001727754649 1427122500 /nfs/dbraw/zinc/12/25/00/1427122500.db2.gz GVRNXNAEOPZSLB-CYBMUJFWSA-N 0 0 337.518 3.462 10 10 EGCERN CCN(CC)c1nnc(C2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001766627969 1441402968 /nfs/dbraw/zinc/40/29/68/1441402968.db2.gz NACUYSUCGKHBSY-UHFFFAOYSA-N 0 0 331.439 3.255 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c(C)n1-c1ccccn1 ZINC000065625668 214986833 /nfs/dbraw/zinc/98/68/33/214986833.db2.gz USVSQVLGKVOOPV-KRWDZBQOSA-N 0 0 349.438 3.163 10 10 EGCERN Cc1cc(SCC2=NNC(=O)/C2=C\N(C)C)c(Cl)cc1Cl ZINC000033381032 202259221 /nfs/dbraw/zinc/25/92/21/202259221.db2.gz DOVCRQQTUVNTMV-TWGQIWQCSA-N 0 0 344.267 3.325 10 10 EGCERN NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004498939 283541660 /nfs/dbraw/zinc/54/16/60/283541660.db2.gz BNFWMUYNHIPDAX-DAYGRLMNSA-N 0 0 344.411 3.300 10 10 EGCERN COC(=O)C1=CN(c2ccc(F)cc2C)c2ccccc2S1(=O)=O ZINC000064979162 277311318 /nfs/dbraw/zinc/31/13/18/277311318.db2.gz UNMYJFXTKLCDNL-UHFFFAOYSA-N 0 0 347.367 3.074 10 10 EGCERN COc1cccc(CNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1O ZINC000528863416 313195644 /nfs/dbraw/zinc/19/56/44/313195644.db2.gz WHAFYVSRQJTXNM-CVEARBPZSA-N 0 0 329.371 3.350 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1c1nccs1 ZINC000180824260 455251900 /nfs/dbraw/zinc/25/19/00/455251900.db2.gz TZIMPEXLZWAYLE-IYNGYCSASA-N 0 0 330.409 3.321 10 10 EGCERN CCCC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000003437436 452768276 /nfs/dbraw/zinc/76/82/76/452768276.db2.gz PEGPQXWLDZCELP-UHFFFAOYSA-N 0 0 343.379 3.349 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ncoc2-c2cccs2)cc1 ZINC000009527298 453255606 /nfs/dbraw/zinc/25/56/06/453255606.db2.gz PQHXDNHLTKXRPN-UHFFFAOYSA-N 0 0 327.409 3.399 10 10 EGCERN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNC1CCCCC1 ZINC000017781957 453637236 /nfs/dbraw/zinc/63/72/36/453637236.db2.gz XHNBYMUJVXRIHK-WJDWOHSUSA-N 0 0 328.372 3.124 10 10 EGCERN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000033303380 453913754 /nfs/dbraw/zinc/91/37/54/453913754.db2.gz IYIBEMCSMVSXOX-SFQUDFHCSA-N 0 0 349.386 3.226 10 10 EGCERN COc1ccc(N2CCCN(C(=O)Cc3ccc(C)s3)CC2)cc1 ZINC000057047746 454099761 /nfs/dbraw/zinc/09/97/61/454099761.db2.gz CIEIMTOLQFBXKN-UHFFFAOYSA-N 0 0 344.480 3.347 10 10 EGCERN C[C@@H](NC(=O)c1ccc(O)c(O)c1)c1nc(-c2cccnc2)cs1 ZINC000095997798 454257863 /nfs/dbraw/zinc/25/78/63/454257863.db2.gz NGHFFFIRMFRLJQ-SNVBAGLBSA-N 0 0 341.392 3.107 10 10 EGCERN CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCS1 ZINC000078590388 454281537 /nfs/dbraw/zinc/28/15/37/454281537.db2.gz WKUJBOGTKNUAOG-VUDGCMKMSA-N 0 0 336.413 3.113 10 10 EGCERN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)c1cccnc1 ZINC000115638510 455024101 /nfs/dbraw/zinc/02/41/01/455024101.db2.gz BQQYMNGDTFRVCF-OAHLLOKOSA-N 0 0 326.444 3.440 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000180615564 455209419 /nfs/dbraw/zinc/20/94/19/455209419.db2.gz PDUIHQQJQROXHO-SOFGYWHQSA-N 0 0 334.375 3.177 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000183460954 455295510 /nfs/dbraw/zinc/29/55/10/455295510.db2.gz CCUHLSLRNRRIRQ-HIFRSBDPSA-N 0 0 341.407 3.101 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(OCC2CCCC2)CC1 ZINC000181172970 455297967 /nfs/dbraw/zinc/29/79/67/455297967.db2.gz VMAZVEFJWWVBDO-SOFGYWHQSA-N 0 0 345.439 3.309 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCO[C@H]3C)cc2)CC1 ZINC000191476128 455488539 /nfs/dbraw/zinc/48/85/39/455488539.db2.gz PSBSCBZFXZYXEC-QFBILLFUSA-N 0 0 330.472 3.354 10 10 EGCERN Cc1nnc([C@@H](N[C@H](C)c2ccc(F)cc2O)c2ccccc2)[nH]1 ZINC000185324403 455540272 /nfs/dbraw/zinc/54/02/72/455540272.db2.gz RXXJLWQCXVNJNG-DIFFPNOSSA-N 0 0 326.375 3.398 10 10 EGCERN C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])N1CCOCC1 ZINC000192634768 455658638 /nfs/dbraw/zinc/65/86/38/455658638.db2.gz OXSOMYACFGGRGT-GHMZBOCLSA-N 0 0 333.259 3.070 10 10 EGCERN CO[C@H](C)c1noc(CN(C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000271761994 455750891 /nfs/dbraw/zinc/75/08/91/455750891.db2.gz DUOMLIWSJJVBNV-SNVBAGLBSA-N 0 0 325.796 3.076 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@@H](C)c1cc(C)ccc1O ZINC000186589327 455799795 /nfs/dbraw/zinc/79/97/95/455799795.db2.gz DGVPETZLPSEXPN-AWEZNQCLSA-N 0 0 340.423 3.409 10 10 EGCERN CC1(C)CC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)O1 ZINC000279048851 455857179 /nfs/dbraw/zinc/85/71/79/455857179.db2.gz RHPZCXCETUUOEY-AWEZNQCLSA-N 0 0 336.395 3.292 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@H]2c2cc[nH]n2)c(C)n1-c1ccccn1 ZINC000279226977 455861567 /nfs/dbraw/zinc/86/15/67/455861567.db2.gz PSOLHJWAVVVCFM-KRWDZBQOSA-N 0 0 335.411 3.190 10 10 EGCERN CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000286222826 456003209 /nfs/dbraw/zinc/00/32/09/456003209.db2.gz SMDSSULZTDWINL-ZWKOTPCHSA-N 0 0 344.430 3.272 10 10 EGCERN CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000286222823 456003415 /nfs/dbraw/zinc/00/34/15/456003415.db2.gz SMDSSULZTDWINL-ROUUACIJSA-N 0 0 344.430 3.272 10 10 EGCERN COc1ccc(N2CCN(c3ncnc4c(C)cccc43)CC2)cc1 ZINC000301686180 456186976 /nfs/dbraw/zinc/18/69/76/456186976.db2.gz ICNVGYQIALNWBK-UHFFFAOYSA-N 0 0 334.423 3.273 10 10 EGCERN COc1ccc(N2CCC(Nc3nc(C)nc(OC)c3C)CC2)cc1 ZINC000301914605 456249365 /nfs/dbraw/zinc/24/93/65/456249365.db2.gz UYGFHWYSZKVGFI-UHFFFAOYSA-N 0 0 342.443 3.192 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccoc1C(F)(F)F ZINC000291706903 456727297 /nfs/dbraw/zinc/72/72/97/456727297.db2.gz PLJHSCVAJBLBJP-MRVPVSSYSA-N 0 0 329.274 3.071 10 10 EGCERN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000283762881 456836717 /nfs/dbraw/zinc/83/67/17/456836717.db2.gz BCGRTMHHWWQFHR-INIZCTEOSA-N 0 0 326.440 3.426 10 10 EGCERN COc1ccc(N2CCCN(C(=O)CSC(C)(C)C)CC2)cc1 ZINC000363251799 457272150 /nfs/dbraw/zinc/27/21/50/457272150.db2.gz KFLFLNGLKOYACU-UHFFFAOYSA-N 0 0 336.501 3.266 10 10 EGCERN CSCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363631332 457390158 /nfs/dbraw/zinc/39/01/58/457390158.db2.gz KPYCVKKTQAMIIK-UHFFFAOYSA-N 0 0 344.427 3.126 10 10 EGCERN COCC[C@@H]1CCCCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000364155892 457503731 /nfs/dbraw/zinc/50/37/31/457503731.db2.gz UMIKKFXSCVVIFN-ZDUSSCGKSA-N 0 0 338.404 3.255 10 10 EGCERN CS(=O)(=O)CCCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000408521782 457579139 /nfs/dbraw/zinc/57/91/39/457579139.db2.gz HLSQFTRDEIBPAO-UHFFFAOYSA-N 0 0 331.865 3.144 10 10 EGCERN COc1cc(Cl)cc(CN[C@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000372921874 458349328 /nfs/dbraw/zinc/34/93/28/458349328.db2.gz KZLZHMYTVNBUTL-HNNXBMFYSA-N 0 0 344.802 3.052 10 10 EGCERN Cc1cc2c(cc1C)N(S(=O)(=O)c1cccc3nsnc31)CC2 ZINC000581087088 459267643 /nfs/dbraw/zinc/26/76/43/459267643.db2.gz WRLJHUYALCZKJQ-UHFFFAOYSA-N 0 0 345.449 3.060 10 10 EGCERN COc1ccc(CNC(=O)C2CCc3ccccc3CC2)c(O)c1 ZINC000529226515 459826432 /nfs/dbraw/zinc/82/64/32/459826432.db2.gz FJQJBYNLWVOCOW-UHFFFAOYSA-N 0 0 325.408 3.212 10 10 EGCERN O=C(NCCCCOCc1ccccc1)NCc1ccccc1O ZINC000726251224 574547269 /nfs/dbraw/zinc/54/72/69/574547269.db2.gz UENKZEOVGVGRQT-UHFFFAOYSA-N 0 0 328.412 3.188 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc3c(c2O)OC(C)(C)C3)cc1 ZINC000726884169 574575421 /nfs/dbraw/zinc/57/54/21/574575421.db2.gz YODYQNBOYLGGJT-UHFFFAOYSA-N 0 0 340.423 3.102 10 10 EGCERN CC[C@](C)(O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000729587010 574871447 /nfs/dbraw/zinc/87/14/47/574871447.db2.gz MILBDURMRNJHQH-FQEVSTJZSA-N 0 0 343.471 3.097 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCCCc2cccc(F)c2)cc1 ZINC000731678100 575199265 /nfs/dbraw/zinc/19/92/65/575199265.db2.gz CZUDQSWREJUGJF-UHFFFAOYSA-N 0 0 329.419 3.324 10 10 EGCERN C[C@H]1CN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2O1 ZINC000732035218 575232643 /nfs/dbraw/zinc/23/26/43/575232643.db2.gz QPQBXVZIQQEVSX-VNDWYCCKSA-N 0 0 331.375 3.457 10 10 EGCERN CC(C)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000740037783 576537057 /nfs/dbraw/zinc/53/70/57/576537057.db2.gz GLQAUEFKNRETFI-JKSUJKDBSA-N 0 0 333.476 3.176 10 10 EGCERN COC[C@@H](C)NC(=S)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000015156232 1291148201 /nfs/dbraw/zinc/14/82/01/1291148201.db2.gz FZHQBKXLQQWWME-CQSZACIVSA-N 0 0 345.512 3.136 10 10 EGCERN COc1ccc(N2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000047540764 1291578333 /nfs/dbraw/zinc/57/83/33/1291578333.db2.gz HCUHAJOAKVMBKB-UHFFFAOYSA-N 0 0 345.374 3.065 10 10 EGCERN CO[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190402906 1295587952 /nfs/dbraw/zinc/58/79/52/1295587952.db2.gz JRZQIBCQRFLZTK-MJGOQNOKSA-N 0 0 345.487 3.386 10 10 EGCERN C/C=C/c1ccc(OCC(=O)N2Cc3cccc(O)c3C2)c(OC)c1 ZINC000871199939 1296270084 /nfs/dbraw/zinc/27/00/84/1296270084.db2.gz WHWXQTIZUDGDKP-HWKANZROSA-N 0 0 339.391 3.355 10 10 EGCERN Cc1ccccc1C1(C(=O)N2Cc3cccc(O)c3C2)CCOCC1 ZINC000871200961 1296270261 /nfs/dbraw/zinc/27/02/61/1296270261.db2.gz OELBQHNBMRLXPO-UHFFFAOYSA-N 0 0 337.419 3.291 10 10 EGCERN CSc1ccc(O[C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871203386 1296270917 /nfs/dbraw/zinc/27/09/17/1296270917.db2.gz ZNMVQMRUVBTUNC-GFCCVEGCSA-N 0 0 329.421 3.424 10 10 EGCERN CN(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1cccc(Cl)c1 ZINC000871203275 1296271403 /nfs/dbraw/zinc/27/14/03/1296271403.db2.gz VZOJELFITHXDDR-KRWDZBQOSA-N 0 0 330.815 3.191 10 10 EGCERN CN(C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1Cl ZINC000871202305 1296271550 /nfs/dbraw/zinc/27/15/50/1296271550.db2.gz CWSYMXJJCGEQNS-QGZVFWFLSA-N 0 0 348.805 3.330 10 10 EGCERN CN(C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(Cl)cc1 ZINC000871206158 1296272758 /nfs/dbraw/zinc/27/27/58/1296272758.db2.gz UEOAIKUNDYLOSQ-QGZVFWFLSA-N 0 0 330.815 3.191 10 10 EGCERN O=C(Nc1cc(F)cc(Br)c1)c1cccc(O)c1O ZINC000387430802 1297596338 /nfs/dbraw/zinc/59/63/38/1297596338.db2.gz WYGAAXYOLSMLBO-UHFFFAOYSA-N 0 0 326.121 3.252 10 10 EGCERN CCN(CC)c1ccc(CN2CCc3nc(COC)ncc3C2)cc1 ZINC000895415719 1309327647 /nfs/dbraw/zinc/32/76/47/1309327647.db2.gz RRBMNANECHQAQJ-UHFFFAOYSA-N 0 0 340.471 3.028 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CC=CC[C@H]3C)C2)cc1 ZINC000895435933 1309335403 /nfs/dbraw/zinc/33/54/03/1309335403.db2.gz NPFWJXOTNRHRLT-JTDSTZFVSA-N 0 0 343.471 3.175 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCC2(CCCC2)O1 ZINC000895620056 1309431858 /nfs/dbraw/zinc/43/18/58/1309431858.db2.gz PWDNPDBWEGSWII-CYBMUJFWSA-N 0 0 338.835 3.337 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC3(CCC3)CO2)c1 ZINC000896162709 1309724909 /nfs/dbraw/zinc/72/49/09/1309724909.db2.gz GUCWKTLCFJLWPH-DZGCQCFKSA-N 0 0 333.428 3.317 10 10 EGCERN C[C@@H](CCc1cccn1C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896685886 1309974904 /nfs/dbraw/zinc/97/49/04/1309974904.db2.gz KSTDTASYGWNDOK-NSHDSACASA-N 0 0 344.436 3.402 10 10 EGCERN COCC(C)(C)CCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897765205 1310460371 /nfs/dbraw/zinc/46/03/71/1310460371.db2.gz DEOWCBYKZNBTEY-UHFFFAOYSA-N 0 0 337.441 3.495 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000897891962 1310509016 /nfs/dbraw/zinc/50/90/16/1310509016.db2.gz AFUVIUQNSXWBEW-UPJWGTAASA-N 0 0 347.436 3.078 10 10 EGCERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC2(CCCC2)O1 ZINC000898107367 1310594486 /nfs/dbraw/zinc/59/44/86/1310594486.db2.gz SKCNNANSKZPKED-NSHDSACASA-N 0 0 347.436 3.486 10 10 EGCERN CC[C@@H](COCC1CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898582890 1310795660 /nfs/dbraw/zinc/79/56/60/1310795660.db2.gz QZHAJSCQMDRMMR-LBPRGKRZSA-N 0 0 335.425 3.248 10 10 EGCERN O=C(Nc1cnn2c1CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000899166588 1310963567 /nfs/dbraw/zinc/96/35/67/1310963567.db2.gz QIPQOEPOBJHIEY-UHFFFAOYSA-N 0 0 329.381 3.098 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000929537734 1328628618 /nfs/dbraw/zinc/62/86/18/1328628618.db2.gz SBSHGOCPDAYNKV-LDLYASANSA-N 0 0 342.483 3.308 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858082556 1328677592 /nfs/dbraw/zinc/67/75/92/1328677592.db2.gz HHZIAGIFFIAABS-CQSZACIVSA-N 0 0 330.409 3.020 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)c(C)n1-c1ccccn1 ZINC000899622599 1317116575 /nfs/dbraw/zinc/11/65/75/1317116575.db2.gz LJLLZOUGWFRGSO-SJLPKXTDSA-N 0 0 339.439 3.130 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000858206546 1328710933 /nfs/dbraw/zinc/71/09/33/1328710933.db2.gz KNLSDNMTGBQWLZ-CRAIPNDOSA-N 0 0 349.450 3.039 10 10 EGCERN CC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1c(C)nn(C)c1C ZINC000858258589 1328724625 /nfs/dbraw/zinc/72/46/25/1328724625.db2.gz KOKXQGGUMFOHBZ-OAHLLOKOSA-N 0 0 330.432 3.001 10 10 EGCERN COCCN(Cc1cnc(C2CC2)o1)c1ccc(OC)c(OC)c1 ZINC000929995586 1328760494 /nfs/dbraw/zinc/76/04/94/1328760494.db2.gz ICCXPNVEBSUSIV-UHFFFAOYSA-N 0 0 332.400 3.222 10 10 EGCERN Cc1cc(CNC(=O)NCC2=CCOCC2)c(C)n1-c1ccccc1 ZINC000858505836 1328782554 /nfs/dbraw/zinc/78/25/54/1328782554.db2.gz PUHZBRYUHUJBCF-UHFFFAOYSA-N 0 0 339.439 3.240 10 10 EGCERN CCOCc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC000914062088 1319222261 /nfs/dbraw/zinc/22/22/61/1319222261.db2.gz QJMFATANOABHBD-UHFFFAOYSA-N 0 0 332.375 3.067 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)NCc1c(O)cccc1F ZINC000914180331 1319259183 /nfs/dbraw/zinc/25/91/83/1319259183.db2.gz LPIVICTVQKWHDC-UHFFFAOYSA-N 0 0 343.402 3.131 10 10 EGCERN COCCC1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000858661048 1328821935 /nfs/dbraw/zinc/82/19/35/1328821935.db2.gz PNVYIEIQECQNKV-XQRVVYSFSA-N 0 0 348.399 3.034 10 10 EGCERN C[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCS1 ZINC000915391330 1319479188 /nfs/dbraw/zinc/47/91/88/1319479188.db2.gz ZMPKXMNKEOBTNH-XJKSGUPXSA-N 0 0 333.501 3.152 10 10 EGCERN CN(C)c1ccc(CN(CC(=O)Nc2ccccc2F)C2CC2)cc1 ZINC000917074976 1319750126 /nfs/dbraw/zinc/75/01/26/1319750126.db2.gz NMZICOZSZOQHCJ-UHFFFAOYSA-N 0 0 341.430 3.495 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000858776859 1328858816 /nfs/dbraw/zinc/85/88/16/1328858816.db2.gz ANBFQOKFVBXIIY-DUMNWFOQSA-N 0 0 340.326 3.405 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCC(F)(F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000858776860 1328858833 /nfs/dbraw/zinc/85/88/33/1328858833.db2.gz ANBFQOKFVBXIIY-MALLOTDXSA-N 0 0 340.326 3.405 10 10 EGCERN COc1ccc(N2CCCN(C(=O)NCC3CCCCC3)CC2)cc1 ZINC000918054804 1319910090 /nfs/dbraw/zinc/91/00/90/1319910090.db2.gz VJRIYAHQOXBTKO-UHFFFAOYSA-N 0 0 345.487 3.497 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccc(-n3cncn3)cc2)cc1 ZINC000918112801 1319919067 /nfs/dbraw/zinc/91/90/67/1319919067.db2.gz NBNUZWKVCFWECK-UHFFFAOYSA-N 0 0 349.438 3.044 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1F ZINC000858865336 1328880164 /nfs/dbraw/zinc/88/01/64/1328880164.db2.gz LPGZUAWWROULIV-DZGCQCFKSA-N 0 0 333.432 3.309 10 10 EGCERN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccns1 ZINC000858961485 1328900252 /nfs/dbraw/zinc/90/02/52/1328900252.db2.gz DPTBABZPQJCFIG-LLVKDONJSA-N 0 0 331.441 3.288 10 10 EGCERN C[C@H](NC(=O)C[C@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930743823 1328955578 /nfs/dbraw/zinc/95/55/78/1328955578.db2.gz GDSRCLFVOIWQMH-IRXDYDNUSA-N 0 0 328.456 3.447 10 10 EGCERN C/C=C\c1ccc(OCC(=O)N(C)Cc2ccccc2O)c(OC)c1 ZINC000920455340 1322179548 /nfs/dbraw/zinc/17/95/48/1322179548.db2.gz UDXSGSRDCQVNQO-DAXSKMNVSA-N 0 0 341.407 3.471 10 10 EGCERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000922009041 1322438513 /nfs/dbraw/zinc/43/85/13/1322438513.db2.gz MTYBGPKUIMWAKP-NSHDSACASA-N 0 0 348.422 3.352 10 10 EGCERN COC(=O)c1cc(NC(=O)N2Cc3cccc(O)c3C2)c(C)cc1C ZINC000931049979 1329036786 /nfs/dbraw/zinc/03/67/86/1329036786.db2.gz UAILCVOABMFWTM-UHFFFAOYSA-N 0 0 340.379 3.343 10 10 EGCERN C[C@@H](C(=O)Nc1ccc(O)c(CNC(=O)[C@@H](C)C2CC2)c1)C1CC1 ZINC000923119248 1322695774 /nfs/dbraw/zinc/69/57/74/1322695774.db2.gz KRXKFXHXEMCHLK-NWDGAFQWSA-N 0 0 330.428 3.039 10 10 EGCERN C[C@]1(CNC(=O)NCc2c(O)cccc2F)CCOC2(CCC2)C1 ZINC000924051523 1322885629 /nfs/dbraw/zinc/88/56/29/1322885629.db2.gz LIIJYRGYMBMWAU-KRWDZBQOSA-N 0 0 336.407 3.070 10 10 EGCERN Cc1csc(C[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000924349567 1322992702 /nfs/dbraw/zinc/99/27/02/1322992702.db2.gz SXCQMJXFRKZOCE-CYBMUJFWSA-N 0 0 346.452 3.266 10 10 EGCERN CCCn1ncc(NC(=O)N2Cc3cccc(O)c3C2)c1C1CC1 ZINC000931602500 1329151967 /nfs/dbraw/zinc/15/19/67/1329151967.db2.gz GEGWLQDODGEUPZ-UHFFFAOYSA-N 0 0 326.400 3.424 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000926389356 1325536649 /nfs/dbraw/zinc/53/66/49/1325536649.db2.gz WOXALLAYKYOKSS-TZMCWYRMSA-N 0 0 346.349 3.034 10 10 EGCERN C[C@H](NC(=O)[C@H]1C[C@@]1(C)Br)c1ccc(N(C)C)cc1 ZINC000860951107 1329372417 /nfs/dbraw/zinc/37/24/17/1329372417.db2.gz YPBYPTHSSFBEHU-PSOPSSQASA-N 0 0 325.250 3.103 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926915197 1327774016 /nfs/dbraw/zinc/77/40/16/1327774016.db2.gz KGLQHUHFDYNJRE-NURSFMCSSA-N 0 0 348.321 3.451 10 10 EGCERN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926915199 1327774102 /nfs/dbraw/zinc/77/41/02/1327774102.db2.gz KGLQHUHFDYNJRE-PXWWUCIGSA-N 0 0 348.321 3.451 10 10 EGCERN C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927155199 1327895821 /nfs/dbraw/zinc/89/58/21/1327895821.db2.gz GFZFGNSWFPALAY-MUKKUYKPSA-N 0 0 342.395 3.044 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCC[C@@H]2OCCc3ccccc32)c1 ZINC000927669116 1328099015 /nfs/dbraw/zinc/09/90/15/1328099015.db2.gz BXSZBUUCJTWVDP-IBGZPJMESA-N 0 0 340.423 3.204 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@H](C)CC3)ccc21 ZINC000928536815 1328352572 /nfs/dbraw/zinc/35/25/72/1328352572.db2.gz YUPVPMLBHSRMTB-CQSZACIVSA-N 0 0 344.455 3.156 10 10 EGCERN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)NCc3ccccc3O)cc21 ZINC000861638359 1329433462 /nfs/dbraw/zinc/43/34/62/1329433462.db2.gz INMWDAKLPNNAGL-LBPRGKRZSA-N 0 0 339.395 3.184 10 10 EGCERN Nc1ccc(CCNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1 ZINC000861640820 1329433696 /nfs/dbraw/zinc/43/36/96/1329433696.db2.gz OXJOJQAIRSFDTM-BPQIPLTHSA-N 0 0 341.842 3.102 10 10 EGCERN CCc1[nH]nc(Cl)c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000862001848 1329454647 /nfs/dbraw/zinc/45/46/47/1329454647.db2.gz FGYRCJLCKGRPCA-GFCCVEGCSA-N 0 0 348.878 3.361 10 10 EGCERN C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc2cccnc2c1O ZINC000862027761 1329456162 /nfs/dbraw/zinc/45/61/62/1329456162.db2.gz DXHGNMPWUQMKDA-BBRMVZONSA-N 0 0 328.412 3.152 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CCCF)CC1 ZINC000862111726 1329459704 /nfs/dbraw/zinc/45/97/04/1329459704.db2.gz NKOKPBXBIIIRSL-UHFFFAOYSA-N 0 0 349.475 3.273 10 10 EGCERN COc1ccc(F)c(OC)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864635395 1329632793 /nfs/dbraw/zinc/63/27/93/1329632793.db2.gz ZDZBXZPXNKJJPV-UHFFFAOYSA-N 0 0 346.402 3.181 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3c(Cl)n[nH]c3C3CC3)ccc21 ZINC000865052803 1329665746 /nfs/dbraw/zinc/66/57/46/1329665746.db2.gz FVWPQHZTMBVPPL-UHFFFAOYSA-N 0 0 344.846 3.253 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2ccncc2)cc1F ZINC000865635853 1329723526 /nfs/dbraw/zinc/72/35/26/1329723526.db2.gz HSNNOVHRKNPCAB-AWEZNQCLSA-N 0 0 329.419 3.487 10 10 EGCERN CCn1nc(C)c(CN(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1C ZINC000865992632 1329757446 /nfs/dbraw/zinc/75/74/46/1329757446.db2.gz JLVKORCILIHKCA-UHFFFAOYSA-N 0 0 348.403 3.082 10 10 EGCERN CCOC(=O)CCc1cc(N[C@H](C)c2ccccc2O)nc(C)n1 ZINC000866239613 1330083790 /nfs/dbraw/zinc/08/37/90/1330083790.db2.gz VZJSBFZGCODXAP-GFCCVEGCSA-N 0 0 329.400 3.159 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000866478628 1330117191 /nfs/dbraw/zinc/11/71/91/1330117191.db2.gz JNMXPRLEWQFOAT-CYBMUJFWSA-N 0 0 341.407 3.102 10 10 EGCERN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000866634783 1330136283 /nfs/dbraw/zinc/13/62/83/1330136283.db2.gz JACCAXAKFQGFSR-OPRDCNLKSA-N 0 0 334.229 3.494 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1O ZINC000868455614 1330282053 /nfs/dbraw/zinc/28/20/53/1330282053.db2.gz KYEPSUBHSWZHLY-BTQDYEIMSA-N 0 0 338.498 3.132 10 10 EGCERN COCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000868482701 1330285038 /nfs/dbraw/zinc/28/50/38/1330285038.db2.gz QMVKLAAVWRAXJA-DZGCQCFKSA-N 0 0 332.400 3.432 10 10 EGCERN CCSc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC000868519316 1330289565 /nfs/dbraw/zinc/28/95/65/1330289565.db2.gz AJQBOOYVVIKIOZ-LBPRGKRZSA-N 0 0 331.441 3.460 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCCC[C@@H]3F)C2)cc1 ZINC000868720422 1330324444 /nfs/dbraw/zinc/32/44/44/1330324444.db2.gz LMXNQJYQKLXCSD-JCGIZDLHSA-N 0 0 349.450 3.101 10 10 EGCERN C[C@@H](NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1O ZINC000868773674 1330339838 /nfs/dbraw/zinc/33/98/38/1330339838.db2.gz MSGWFTPSYXBNDZ-PVAVHDDUSA-N 0 0 340.423 3.325 10 10 EGCERN Cc1ncnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1C ZINC001184938605 1387566027 /nfs/dbraw/zinc/56/60/27/1387566027.db2.gz ZHGZJLKKFNQUDY-BETUJISGSA-N 0 0 344.434 3.458 10 10 EGCERN CCCOc1cccc(CNC(=O)CN(C)c2ccc(OC)cc2)c1 ZINC001195818581 1368497352 /nfs/dbraw/zinc/49/73/52/1368497352.db2.gz GUAXKPJVRRLEHO-UHFFFAOYSA-N 0 0 342.439 3.237 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001118865010 1371243303 /nfs/dbraw/zinc/24/33/03/1371243303.db2.gz WOXCIJFIOBNMLM-GQCTYLIASA-N 0 0 340.326 3.407 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@]2(c3ccccc3)CCCO2)cc1F ZINC001125469590 1372792775 /nfs/dbraw/zinc/79/27/75/1372792775.db2.gz VAMQQCSWUVVEKE-FQEVSTJZSA-N 0 0 342.414 3.214 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)[C@H]1COc2cc(F)ccc2C1 ZINC001128603153 1373296699 /nfs/dbraw/zinc/29/66/99/1373296699.db2.gz DBVIJMZFXQWAGO-SECBINFHSA-N 0 0 347.733 3.205 10 10 EGCERN O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2c(F)c(F)ccc21 ZINC001129796589 1373424309 /nfs/dbraw/zinc/42/43/09/1373424309.db2.gz DOYFTONVUNWWKU-KXFIGUGUSA-N 0 0 336.725 3.452 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCC[C@@H]2C)cc1 ZINC001227067490 1375384106 /nfs/dbraw/zinc/38/41/06/1375384106.db2.gz JYMUYEHLRIEEBS-HOTGVXAUSA-N 0 0 333.476 3.209 10 10 EGCERN CO[C@@]1(C)C[C@H]1NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001234326259 1376811607 /nfs/dbraw/zinc/81/16/07/1376811607.db2.gz JDZBMQVEVMXQES-QUCCMNQESA-N 0 0 341.455 3.379 10 10 EGCERN COc1cccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001135498539 1377119201 /nfs/dbraw/zinc/11/92/01/1377119201.db2.gz KSHYMVQAIALTNP-UHFFFAOYSA-N 0 0 326.356 3.130 10 10 EGCERN CC(C)Cn1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001135800748 1377214295 /nfs/dbraw/zinc/21/42/95/1377214295.db2.gz OPIOSNYEMWPLPF-UHFFFAOYSA-N 0 0 340.471 3.412 10 10 EGCERN CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135821616 1377221272 /nfs/dbraw/zinc/22/12/72/1377221272.db2.gz CDYZRILXQGKYPH-UHFFFAOYSA-N 0 0 331.763 3.170 10 10 EGCERN Cc1cc(CCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)[nH]n1 ZINC001136705095 1377416415 /nfs/dbraw/zinc/41/64/15/1377416415.db2.gz AGLOAWIUROJRHB-UHFFFAOYSA-N 0 0 340.471 3.203 10 10 EGCERN Cc1csc([C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C2CC2)n1 ZINC001136972272 1377448055 /nfs/dbraw/zinc/44/80/55/1377448055.db2.gz GWKNMPRJHBPZCN-ZDUSSCGKSA-N 0 0 343.412 3.495 10 10 EGCERN CNc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC001137443312 1377548486 /nfs/dbraw/zinc/54/84/86/1377548486.db2.gz KXPSIDCCCGUKHD-UHFFFAOYSA-N 0 0 340.301 3.088 10 10 EGCERN C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001138362351 1377710358 /nfs/dbraw/zinc/71/03/58/1377710358.db2.gz CTEZKKCQCWAOBF-AWEZNQCLSA-N 0 0 337.423 3.368 10 10 EGCERN O=C(NCCOc1cccc(F)c1)c1cc2cc(O)c(O)cc2s1 ZINC001141540069 1378341999 /nfs/dbraw/zinc/34/19/99/1378341999.db2.gz AOUPNDCDJUTDIE-UHFFFAOYSA-N 0 0 347.367 3.260 10 10 EGCERN Cc1cc(CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)no1 ZINC001142116590 1378413557 /nfs/dbraw/zinc/41/35/57/1378413557.db2.gz WORUIYBOIIRQTF-UHFFFAOYSA-N 0 0 337.379 3.133 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3cccc4nsnc43)ccc21 ZINC001142465795 1378445295 /nfs/dbraw/zinc/44/52/95/1378445295.db2.gz RFSSLECEYKZCHL-UHFFFAOYSA-N 0 0 338.436 3.004 10 10 EGCERN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001142844540 1378494657 /nfs/dbraw/zinc/49/46/57/1378494657.db2.gz SMJUQZCYFPLDQY-QZTJIDSGSA-N 0 0 330.472 3.497 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cncc3[nH]ccc32)cc1F ZINC001144978407 1378786331 /nfs/dbraw/zinc/78/63/31/1378786331.db2.gz PQKOJEWWBJZMGY-UHFFFAOYSA-N 0 0 340.402 3.478 10 10 EGCERN CCOC(=O)c1sc(NC(=O)c2ccc(C)c(O)c2O)cc1C ZINC001149480771 1379387324 /nfs/dbraw/zinc/38/73/24/1379387324.db2.gz VYBHUTJTIORKKX-UHFFFAOYSA-N 0 0 335.381 3.205 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cn(-c3ccccc3)cn2)c1 ZINC001150543117 1379565188 /nfs/dbraw/zinc/56/51/88/1379565188.db2.gz IOEQGVSIVCYUPO-CYBMUJFWSA-N 0 0 337.379 3.078 10 10 EGCERN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001151153163 1379668349 /nfs/dbraw/zinc/66/83/49/1379668349.db2.gz HZFZJKYGEOGHLQ-ZOCIIQOWSA-N 0 0 326.440 3.381 10 10 EGCERN Cc1nn(CC(=O)N[C@@H](C)c2ccccc2O)cc1-c1ccccc1 ZINC001151892731 1379812206 /nfs/dbraw/zinc/81/22/06/1379812206.db2.gz XXWSROIVCUPSCU-AWEZNQCLSA-N 0 0 335.407 3.442 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC(O)(C3CC3)C2)c1 ZINC001154408354 1380272346 /nfs/dbraw/zinc/27/23/46/1380272346.db2.gz MUEOZDTZIPWDGZ-UHFFFAOYSA-N 0 0 344.842 3.344 10 10 EGCERN C[C@H](COCC1CCCCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001156148466 1380531181 /nfs/dbraw/zinc/53/11/81/1380531181.db2.gz SNFNSTMRPOQFDQ-QQBNSCQMSA-N 0 0 333.428 3.213 10 10 EGCERN CC(C)Oc1ncc(Cl)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001157766523 1381028025 /nfs/dbraw/zinc/02/80/25/1381028025.db2.gz JTWQSOQVKZUELS-UHFFFAOYSA-N 0 0 336.775 3.115 10 10 EGCERN Cc1cc(CNC(=O)c2ccnc(C)n2)c(C)n1-c1cccc(C)c1 ZINC001287660949 1381320053 /nfs/dbraw/zinc/32/00/53/1381320053.db2.gz SILUIDSGAZYKGP-UHFFFAOYSA-N 0 0 334.423 3.431 10 10 EGCERN Cc1cc(C(=O)NCc2conc2C)c(C)n1-c1ccc(F)cc1 ZINC001159745489 1381887768 /nfs/dbraw/zinc/88/77/68/1381887768.db2.gz BTYIUBVDTHBDQH-UHFFFAOYSA-N 0 0 327.359 3.460 10 10 EGCERN COC(=O)c1ccc2c(c1)N(C(=O)/C(C)=C/c1cccnc1)CCC2 ZINC001289078113 1381975933 /nfs/dbraw/zinc/97/59/33/1381975933.db2.gz MUTYVKUUHIMVBT-SDNWHVSQSA-N 0 0 336.391 3.251 10 10 EGCERN COC(=O)Nc1ccc(OC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001291663247 1382146673 /nfs/dbraw/zinc/14/66/73/1382146673.db2.gz HANSYNHPUDTHLH-UHFFFAOYSA-N 0 0 342.311 3.247 10 10 EGCERN Cc1cc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[nH]n1 ZINC001291850105 1382159042 /nfs/dbraw/zinc/15/90/42/1382159042.db2.gz NXKDVVIZMAMRDH-UHFFFAOYSA-N 0 0 328.460 3.154 10 10 EGCERN CCc1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001292939755 1382234412 /nfs/dbraw/zinc/23/44/12/1382234412.db2.gz IFBZZKLSORFQTD-KBPBESRZSA-N 0 0 345.466 3.329 10 10 EGCERN COC(=O)[C@@H](C)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001161552950 1382438119 /nfs/dbraw/zinc/43/81/19/1382438119.db2.gz GLUULURJUYMZLO-YCGNWBHESA-N 0 0 341.363 3.026 10 10 EGCERN Cn1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c(Cl)n1 ZINC001294671831 1382482968 /nfs/dbraw/zinc/48/29/68/1382482968.db2.gz MEKMWQWKKPVCHB-UHFFFAOYSA-N 0 0 345.786 3.215 10 10 EGCERN Cc1ccc([C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(F)(F)F)o1 ZINC001163678089 1383104206 /nfs/dbraw/zinc/10/42/06/1383104206.db2.gz ROTOSKMFBMAFLI-NFBGWVBBSA-N 0 0 341.285 3.432 10 10 EGCERN CCN1CC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001297010660 1383104580 /nfs/dbraw/zinc/10/45/80/1383104580.db2.gz RNQGWFDPGJCCIP-RDTXWAMCSA-N 0 0 349.906 3.287 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1Cc1ccccc1F ZINC001165479403 1383300681 /nfs/dbraw/zinc/30/06/81/1383300681.db2.gz GLWYAYLGGGTBRG-INIZCTEOSA-N 0 0 343.398 3.403 10 10 EGCERN COC(=O)c1cc(OCC[C@H](O)c2ccccc2)ccc1N(C)C ZINC001166713241 1383465300 /nfs/dbraw/zinc/46/53/00/1383465300.db2.gz BDPGJZZXRHWLAH-SFHVURJKSA-N 0 0 329.396 3.042 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1ccc(Oc2ccccc2)o1 ZINC001299572098 1383573022 /nfs/dbraw/zinc/57/30/22/1383573022.db2.gz AOLVZSWDPAHSMR-UHFFFAOYSA-N 0 0 325.320 3.413 10 10 EGCERN O=C(COc1ccccc1Cl)NCc1ccc2cccnc2c1O ZINC001299721177 1383622715 /nfs/dbraw/zinc/62/27/15/1383622715.db2.gz DQMLGCSCYRCPKZ-UHFFFAOYSA-N 0 0 342.782 3.289 10 10 EGCERN CCc1cc(C(=O)NCc2ccc3cccnc3c2O)cc(Cl)n1 ZINC001299727032 1383624857 /nfs/dbraw/zinc/62/48/57/1383624857.db2.gz XFAGGATUMDSDDZ-UHFFFAOYSA-N 0 0 341.798 3.481 10 10 EGCERN Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)n(C4CC4)c3c2)c(O)c1O ZINC001302905184 1383772727 /nfs/dbraw/zinc/77/27/27/1383772727.db2.gz YVMJDUHSCZCVBC-UHFFFAOYSA-N 0 0 339.351 3.049 10 10 EGCERN Cc1ccc(OCCCC(=O)NCc2cc(O)ccc2O)cc1C ZINC001303225291 1383788525 /nfs/dbraw/zinc/78/85/25/1383788525.db2.gz FLYYIMAROUIMMK-UHFFFAOYSA-N 0 0 329.396 3.190 10 10 EGCERN Cc1onc(-c2ccccc2C)c1C(=O)NCc1cc(O)ccc1O ZINC001303226232 1383788894 /nfs/dbraw/zinc/78/88/94/1383788894.db2.gz ZRRNSAWBGQEAGA-UHFFFAOYSA-N 0 0 338.363 3.300 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)cccc2O)cc(C)c1OC(F)F ZINC001304050370 1383825084 /nfs/dbraw/zinc/82/50/84/1383825084.db2.gz LTLUEJOBUZTAGS-UHFFFAOYSA-N 0 0 337.322 3.246 10 10 EGCERN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1O ZINC001304051174 1383825456 /nfs/dbraw/zinc/82/54/56/1383825456.db2.gz VVMXXOYFTLQQGJ-UHFFFAOYSA-N 0 0 335.787 3.225 10 10 EGCERN Cn1nc(C(=O)NCc2c(O)ccc3ccccc32)c2ccccc21 ZINC001304090600 1383829073 /nfs/dbraw/zinc/82/90/73/1383829073.db2.gz KNLUGNMGHRUMHO-UHFFFAOYSA-N 0 0 331.375 3.362 10 10 EGCERN Cc1cc(C(=O)N[C@@H](CO)C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC001305992286 1383866013 /nfs/dbraw/zinc/86/60/13/1383866013.db2.gz XJNXAJIRPQDKFU-KRWDZBQOSA-N 0 0 334.847 3.494 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](OC)[C@@H](C)CC ZINC001306080595 1383871847 /nfs/dbraw/zinc/87/18/47/1383871847.db2.gz NRLSKUZEIHYDKH-YOEHRIQHSA-N 0 0 346.475 3.244 10 10 EGCERN CCc1nnc(N2CCC[C@@H]2CC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001306175487 1383882586 /nfs/dbraw/zinc/88/25/86/1383882586.db2.gz HKCCBFDQAXPYBM-HNNXBMFYSA-N 0 0 345.466 3.473 10 10 EGCERN CN(CCOc1ccccc1Cl)C(=O)c1c(F)ccc(O)c1O ZINC001306181790 1383883535 /nfs/dbraw/zinc/88/35/35/1383883535.db2.gz RBYPVODVNXTQGX-UHFFFAOYSA-N 0 0 339.750 3.041 10 10 EGCERN CCOc1cc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)nc(C)n1 ZINC001307149051 1383945546 /nfs/dbraw/zinc/94/55/46/1383945546.db2.gz VMBOHENZQVKPQV-OAHLLOKOSA-N 0 0 342.443 3.131 10 10 EGCERN CCc1cc(NCc2cccc(Cl)c2O)nc(-c2ccncc2)n1 ZINC001307230544 1383961973 /nfs/dbraw/zinc/96/19/73/1383961973.db2.gz WMAWZQOGKGWCPN-UHFFFAOYSA-N 0 0 340.814 3.494 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCC[C@@H](C)C3)C2)cc1 ZINC001312994066 1384385149 /nfs/dbraw/zinc/38/51/49/1384385149.db2.gz HTGDNBSMJVSIPB-HZPDHXFCSA-N 0 0 331.460 3.106 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC001313149088 1384399649 /nfs/dbraw/zinc/39/96/49/1384399649.db2.gz LYZQAHLOBQMGBM-IIDMSEBBSA-N 0 0 333.476 3.240 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC001313243542 1384405165 /nfs/dbraw/zinc/40/51/65/1384405165.db2.gz PJICKBMSHZAFPO-SFHVURJKSA-N 0 0 347.503 3.488 10 10 EGCERN C[C@@H]1CN(c2ccc(CNC(=O)C3(C)CC=CC3)cc2F)C[C@@H](C)O1 ZINC001335926090 1388968986 /nfs/dbraw/zinc/96/89/86/1388968986.db2.gz VYWUQBQMWZUVRZ-HUUCEWRRSA-N 0 0 346.446 3.412 10 10 EGCERN Cc1ccc2c(CC(=O)NCc3cccc(O)c3O)coc2c1C ZINC001176565989 1385627308 /nfs/dbraw/zinc/62/73/08/1385627308.db2.gz QVUKCBYYEUIRLS-UHFFFAOYSA-N 0 0 325.364 3.320 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1sccc1Br ZINC001178410085 1386209157 /nfs/dbraw/zinc/20/91/57/1386209157.db2.gz LMZFVRQFUMUZPV-UHFFFAOYSA-N 0 0 330.178 3.285 10 10 EGCERN CO[C@H]1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC001321777259 1386981688 /nfs/dbraw/zinc/98/16/88/1386981688.db2.gz LHQZXKVUWDXPEL-HOTGVXAUSA-N 0 0 344.411 3.265 10 10 EGCERN CSCc1cc(F)ccc1CNC(=O)c1c(F)ccc(O)c1O ZINC001182919359 1387246665 /nfs/dbraw/zinc/24/66/65/1387246665.db2.gz BLVTUHWVNMSTLG-UHFFFAOYSA-N 0 0 339.363 3.169 10 10 EGCERN COc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC001337483103 1389365434 /nfs/dbraw/zinc/36/54/34/1389365434.db2.gz PSBSUMTVJWEJOW-CYBMUJFWSA-N 0 0 329.396 3.118 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)CC(F)(F)C(F)F)CC2)cc1 ZINC001331924805 1389913088 /nfs/dbraw/zinc/91/30/88/1389913088.db2.gz YZBUPUKEQXQGRO-UHFFFAOYSA-N 0 0 348.340 3.024 10 10 EGCERN COc1nscc1CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001346413338 1390934513 /nfs/dbraw/zinc/93/45/13/1390934513.db2.gz UDDSUECMAKIRPD-LBPRGKRZSA-N 0 0 348.472 3.120 10 10 EGCERN COC(=O)c1sccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001349456487 1391332243 /nfs/dbraw/zinc/33/22/43/1391332243.db2.gz SWFJIJLGPUCLGV-NSHDSACASA-N 0 0 332.425 3.092 10 10 EGCERN COc1cc(Cl)c(F)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001350777154 1391529677 /nfs/dbraw/zinc/52/96/77/1391529677.db2.gz XCEMGBQEUAAHGW-UHFFFAOYSA-N 0 0 336.794 3.484 10 10 EGCERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351671874 1391668171 /nfs/dbraw/zinc/66/81/71/1391668171.db2.gz AZPLFAUILRRPLG-YYAJDYIMSA-N 0 0 330.472 3.305 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn(C2CCC2)c1 ZINC001351673203 1391668631 /nfs/dbraw/zinc/66/86/31/1391668631.db2.gz JNZLIVNPXQZRLU-UHFFFAOYSA-N 0 0 338.455 3.481 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cc3c(ccnc3Cl)o2)cc1 ZINC001353502769 1392025454 /nfs/dbraw/zinc/02/54/54/1392025454.db2.gz BODYDHNFNGSDLR-UHFFFAOYSA-N 0 0 329.787 3.477 10 10 EGCERN C[C@H](CSC(F)(F)F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001354371791 1392140779 /nfs/dbraw/zinc/14/07/79/1392140779.db2.gz SGTLHAPJXKEXRT-SNVBAGLBSA-N 0 0 348.390 3.367 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cc3c(cn2)OCCC3)cc1 ZINC001355015698 1392185938 /nfs/dbraw/zinc/18/59/38/1392185938.db2.gz QLPCWGRFJXWGLF-UHFFFAOYSA-N 0 0 339.439 3.183 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cn3cc(C)ccc3n2)cc1 ZINC001355014646 1392185945 /nfs/dbraw/zinc/18/59/45/1392185945.db2.gz CQAPICLAQANAFA-UHFFFAOYSA-N 0 0 336.439 3.419 10 10 EGCERN CN(C)c1ccc(CN(C(=O)NC[C@@]2(C)CCCCO2)C2CC2)cc1 ZINC001479466459 1392249752 /nfs/dbraw/zinc/24/97/52/1392249752.db2.gz ZXKRZIJYQBDATH-HXUWFJFHSA-N 0 0 345.487 3.386 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492800699 1396324437 /nfs/dbraw/zinc/32/44/37/1396324437.db2.gz JSUFBEABKLCHKW-STQMWFEESA-N 0 0 331.439 3.075 10 10 EGCERN CC[C@H](C)c1nnc(N(C)OC)n1CCCSc1nccs1 ZINC001495204299 1396523926 /nfs/dbraw/zinc/52/39/26/1396523926.db2.gz ZXCGLTKFZPGTAG-NSHDSACASA-N 0 0 341.506 3.428 10 10 EGCERN CC[C@H]1[C@H](C)CCN1c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694803894 1406069100 /nfs/dbraw/zinc/06/91/00/1406069100.db2.gz WPGCLXFZUUIVAW-DYVFJYSZSA-N 0 0 345.466 3.465 10 10 EGCERN CCCN(CC)c1nnc(C)n1CCCSc1nccs1 ZINC001695294926 1406088517 /nfs/dbraw/zinc/08/85/17/1406088517.db2.gz QEFJCVXYCZIXKM-UHFFFAOYSA-N 0 0 325.507 3.462 10 10 EGCERN CN(C)c1ccc(Cn2c(CC3CC3)nnc2N2CCCC2)cc1F ZINC001696609463 1406117220 /nfs/dbraw/zinc/11/72/20/1406117220.db2.gz AYJCPCFOBXCSRV-UHFFFAOYSA-N 0 0 343.450 3.084 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CCC1CC1 ZINC001696701259 1406119322 /nfs/dbraw/zinc/11/93/22/1406119322.db2.gz YXXUOTUBTUILPW-UHFFFAOYSA-N 0 0 326.444 3.373 10 10 EGCERN Cc1nnc(N2CCC[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001707894721 1417388371 /nfs/dbraw/zinc/38/83/71/1417388371.db2.gz FAGKMWIHWOGTFE-ZDUSSCGKSA-N 0 0 331.439 3.076 10 10 EGCERN CCN(C)c1nnc(CC(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709919313 1417456078 /nfs/dbraw/zinc/45/60/78/1417456078.db2.gz FIRLPTQDEKEOFQ-UHFFFAOYSA-N 0 0 333.455 3.186 10 10 EGCERN Cc1ccc(Cn2c(C)nnc2N(C)Cc2ccccc2O)s1 ZINC001724351773 1424847472 /nfs/dbraw/zinc/84/74/72/1424847472.db2.gz BNVOYDVZPJYTOF-UHFFFAOYSA-N 0 0 328.441 3.347 10 10 EGCERN CS[C@H](C)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001731039098 1427187576 /nfs/dbraw/zinc/18/75/76/1427187576.db2.gz HDUGZDKFSNFXHW-CYBMUJFWSA-N 0 0 346.500 3.324 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1Cc1nccs1 ZINC001750611322 1440107222 /nfs/dbraw/zinc/10/72/22/1440107222.db2.gz URXYAJAYAFZKPX-UHFFFAOYSA-N 0 0 343.456 3.248 10 10 EGCERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@H]1C[C@@H]1C ZINC001762514736 1441375929 /nfs/dbraw/zinc/37/59/29/1441375929.db2.gz WBGODTMGGKSWMC-YJBOKZPZSA-N 0 0 339.487 3.479 10 10 EGCERN Cc1ccc2oc(C(=O)NCc3ccc(N(C)C)cc3)cc(=O)c2c1 ZINC000012534323 201852286 /nfs/dbraw/zinc/85/22/86/201852286.db2.gz MJUHOYQBPCCKFP-UHFFFAOYSA-N 0 0 336.391 3.097 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccccc3)C2)cc1 ZINC000000263946 201454867 /nfs/dbraw/zinc/45/48/67/201454867.db2.gz VNWVBDVRTRNBSU-HNNXBMFYSA-N 0 0 325.412 3.343 10 10 EGCERN CCCc1ccc(S(=O)(=O)Nc2ccc(O)c(NC(C)=O)c2)cc1 ZINC000012536096 258054605 /nfs/dbraw/zinc/05/46/05/258054605.db2.gz DUMLZRKUFJYNDO-UHFFFAOYSA-N 0 0 348.424 3.104 10 10 EGCERN Cc1nc(-c2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)no1 ZINC000180708039 455231547 /nfs/dbraw/zinc/23/15/47/455231547.db2.gz KYXXFLMNRWKCCI-SOFGYWHQSA-N 0 0 337.335 3.108 10 10 EGCERN CC(=O)N(C)c1ccc(N2CCCC2)c2c1C(=O)c1ccccc1C2=O ZINC000004117232 452792925 /nfs/dbraw/zinc/79/29/25/452792925.db2.gz NKSOBBCSDBCLCP-UHFFFAOYSA-N 0 0 348.402 3.045 10 10 EGCERN Cc1cc(C(=O)OCC(=O)NC(C)(C)C)c(C)n1-c1ccccc1C ZINC000004270287 452798321 /nfs/dbraw/zinc/79/83/21/452798321.db2.gz XGAYCCWDVPYCKW-UHFFFAOYSA-N 0 0 342.439 3.474 10 10 EGCERN O=C1NC(=S)S/C1=C\C(Cl)=C/c1ccc([N+](=O)[O-])cc1 ZINC000005633050 452889026 /nfs/dbraw/zinc/88/90/26/452889026.db2.gz BDSAFOVDXBFDHY-QYEKGNEQSA-N 0 0 326.786 3.206 10 10 EGCERN O=C1c2ccccc2N[C@H](c2cc(O)c(O)c(Cl)c2)N1C1CC1 ZINC000007364412 453064672 /nfs/dbraw/zinc/06/46/72/453064672.db2.gz XEERWWMTHDIXGX-INIZCTEOSA-N 0 0 330.771 3.480 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3C)CC2)cc1 ZINC000043278099 454053002 /nfs/dbraw/zinc/05/30/02/454053002.db2.gz FFEWVZRAVNQZBR-UHFFFAOYSA-N 0 0 343.402 3.497 10 10 EGCERN CN1CCCc2cc(/C=C/C(=O)NC[C@H]3Cc4ccccc4O3)ccc21 ZINC000058245766 454174397 /nfs/dbraw/zinc/17/43/97/454174397.db2.gz IRHMXBGOYHJSOB-SINXNMPMSA-N 0 0 348.446 3.202 10 10 EGCERN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/C3CC3)cc2F)C[C@H](C)O1 ZINC000266286599 455425714 /nfs/dbraw/zinc/42/57/14/455425714.db2.gz XSMFDSOSTNKRSG-FZBZROKSSA-N 0 0 332.419 3.022 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000089782874 454198360 /nfs/dbraw/zinc/19/83/60/454198360.db2.gz QDYJQBCDOKCQII-MSOLQXFVSA-N 0 0 346.358 3.449 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H](C)[C@H](O)C2)c(C)n1-c1ccccc1C ZINC000095459355 454216000 /nfs/dbraw/zinc/21/60/00/454216000.db2.gz JXTRXGAGWWLPOO-IFXJQAMLSA-N 0 0 326.440 3.245 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000060587635 454304499 /nfs/dbraw/zinc/30/44/99/454304499.db2.gz IEMUYLHEUVVLCD-SFHVURJKSA-N 0 0 339.439 3.418 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1[O-] ZINC000093690936 454730769 /nfs/dbraw/zinc/73/07/69/454730769.db2.gz WYEVRMVYVBUBML-AWEZNQCLSA-N 0 0 349.774 3.002 10 10 EGCERN C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115638 455504067 /nfs/dbraw/zinc/50/40/67/455504067.db2.gz RPCPOJJVMMZYSG-NEPJUHHUSA-N 0 0 347.286 3.196 10 10 EGCERN COc1ccc(N2CCCN(C(=O)N[C@H](C)CC3CC3)CC2)cc1 ZINC000171855274 455099421 /nfs/dbraw/zinc/09/94/21/455099421.db2.gz LZKPIBPUMODAOQ-OAHLLOKOSA-N 0 0 331.460 3.106 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2c2ccco2)cc1 ZINC000172026200 455110779 /nfs/dbraw/zinc/11/07/79/455110779.db2.gz XJOGFPICSYPJHE-SFHVURJKSA-N 0 0 341.455 3.141 10 10 EGCERN Cc1nc(CN2CCC[N@H+](Cc3cc(C)ccc3O)CC2)cs1 ZINC000157256086 455177601 /nfs/dbraw/zinc/17/76/01/455177601.db2.gz INVZPWGXPCLRKC-UHFFFAOYSA-N 0 0 331.485 3.173 10 10 EGCERN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](c2ccc(F)cc2)O1 ZINC000172925848 455210825 /nfs/dbraw/zinc/21/08/25/455210825.db2.gz BSOOYXFKCRQALF-CWTRNNRKSA-N 0 0 345.370 3.222 10 10 EGCERN Cc1nc(CN(C)C(=O)c2sccc2-n2c(C)ccc2C)no1 ZINC000183333767 455278967 /nfs/dbraw/zinc/27/89/67/455278967.db2.gz HOXCPKSTBKHJPW-UHFFFAOYSA-N 0 0 330.413 3.119 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccccc1F ZINC000183449336 455294101 /nfs/dbraw/zinc/29/41/01/455294101.db2.gz SPVIPRRPJXXXOE-GFCCVEGCSA-N 0 0 331.387 3.262 10 10 EGCERN COc1cc(Cl)cc(CN2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000184694971 455429155 /nfs/dbraw/zinc/42/91/55/455429155.db2.gz AYRSXKGJDLTVNX-KRWDZBQOSA-N 0 0 349.814 3.333 10 10 EGCERN COc1ccc(O)c(CN2CC3(CCOCC3)c3ccccc32)c1 ZINC000191619366 455504312 /nfs/dbraw/zinc/50/43/12/455504312.db2.gz FWFVGLFDTLESMG-UHFFFAOYSA-N 0 0 325.408 3.469 10 10 EGCERN C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185333005 455541775 /nfs/dbraw/zinc/54/17/75/455541775.db2.gz ZPTICAFYCBHWTN-SECBINFHSA-N 0 0 333.215 3.192 10 10 EGCERN C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000185472879 455562671 /nfs/dbraw/zinc/56/26/71/455562671.db2.gz RMFFRMIVBBJUTO-DOXZYTNZSA-N 0 0 343.446 3.488 10 10 EGCERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000193080389 455742175 /nfs/dbraw/zinc/74/21/75/455742175.db2.gz FGOQMFWPHINJBU-GXTWGEPZSA-N 0 0 327.380 3.125 10 10 EGCERN COc1ccc(N(C)Cc2cccc(S(C)(=O)=O)c2)cc1Cl ZINC000295541355 455852278 /nfs/dbraw/zinc/85/22/78/455852278.db2.gz XKCHXNZMGITETG-UHFFFAOYSA-N 0 0 339.844 3.389 10 10 EGCERN COc1cc(N(C)Cc2ccc3c(c2)ncn3C)cc(OC)c1OC ZINC000272477411 455964528 /nfs/dbraw/zinc/96/45/28/455964528.db2.gz BLMBXALPGIBIGG-UHFFFAOYSA-N 0 0 341.411 3.236 10 10 EGCERN Cc1cc(Cl)cc(CNc2ccc(C(=O)NCCCO)cc2)c1O ZINC000280592542 456007633 /nfs/dbraw/zinc/00/76/33/456007633.db2.gz BKUSYASVEFLCPL-UHFFFAOYSA-N 0 0 348.830 3.078 10 10 EGCERN COc1cc(C)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000280721465 456038689 /nfs/dbraw/zinc/03/86/89/456038689.db2.gz CZLYGXNAWDDEFX-ZDUSSCGKSA-N 0 0 344.411 3.476 10 10 EGCERN Cc1cc(C)n(-c2cncc(NCCCSc3nccs3)n2)n1 ZINC000301766938 456209520 /nfs/dbraw/zinc/20/95/20/456209520.db2.gz HPDGWZHCCCJMJR-UHFFFAOYSA-N 0 0 346.485 3.330 10 10 EGCERN COC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000273347891 456224238 /nfs/dbraw/zinc/22/42/38/456224238.db2.gz BAYDSGFWXFYNJK-GUYCJALGSA-N 0 0 329.396 3.217 10 10 EGCERN CCOCc1nc([C@H](C)NCc2ccc(N3CCCCC3)cc2)no1 ZINC000290996099 456491330 /nfs/dbraw/zinc/49/13/30/456491330.db2.gz ALUVSJMBXHJCPY-HNNXBMFYSA-N 0 0 344.459 3.447 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cnc2cnccc2c1 ZINC000282931728 456666940 /nfs/dbraw/zinc/66/69/40/456666940.db2.gz YKUBVNQBNKAEQL-UHFFFAOYSA-N 0 0 333.391 3.144 10 10 EGCERN CCCN(CCC)c1ccc(CN2CCOC[C@H]2c2ncon2)cc1 ZINC000369830992 457420806 /nfs/dbraw/zinc/42/08/06/457420806.db2.gz IOXRNZPAGVNALM-SFHVURJKSA-N 0 0 344.459 3.270 10 10 EGCERN COC[C@@H]1CCCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000364156325 457503261 /nfs/dbraw/zinc/50/32/61/457503261.db2.gz PAIXAUONXAVKOT-LOWQCSRCSA-N 0 0 348.399 3.034 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCOCC1 ZINC000365123925 457727838 /nfs/dbraw/zinc/72/78/38/457727838.db2.gz WAXNKPSFLKENLC-SFHVURJKSA-N 0 0 330.472 3.452 10 10 EGCERN CS(=O)(=O)c1ccccc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000367397210 457951943 /nfs/dbraw/zinc/95/19/43/457951943.db2.gz RUJCGNGFUYNBHV-UHFFFAOYSA-N 0 0 348.855 3.432 10 10 EGCERN COC(=O)C[C@@H]1CN(C(=O)/C=C/c2cncc(C)c2)c2ccccc21 ZINC000372091058 458191047 /nfs/dbraw/zinc/19/10/47/458191047.db2.gz VWBVVIIJZVCMSN-KXPUMZMLSA-N 0 0 336.391 3.097 10 10 EGCERN O=C(NCc1ccccc1O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000528299832 459802343 /nfs/dbraw/zinc/80/23/43/459802343.db2.gz XQTUBARKHPCVJN-IAOVAPTHSA-N 0 0 328.799 3.183 10 10 EGCERN COc1ccc(CNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000529226457 459826408 /nfs/dbraw/zinc/82/64/08/459826408.db2.gz DOAGBHXBXMQDKN-IAGOWNOFSA-N 0 0 329.371 3.350 10 10 EGCERN O=C(c1ccnc2c1CC(=O)N2)N1CC2(CCCC2)c2ccccc21 ZINC000612062509 460524253 /nfs/dbraw/zinc/52/42/53/460524253.db2.gz CMNZOHKZMZBEIF-UHFFFAOYSA-N 0 0 333.391 3.048 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1OCc2ccccc21 ZINC000653672439 461799550 /nfs/dbraw/zinc/79/95/50/461799550.db2.gz OCMRGZVPCZSTFF-SFHVURJKSA-N 0 0 338.407 3.140 10 10 EGCERN Cc1cccc(CNC(=S)Nc2ccc3c(c2)OCCCO3)n1 ZINC000727276754 574657718 /nfs/dbraw/zinc/65/77/18/574657718.db2.gz MMGRPGQYSRAESF-UHFFFAOYSA-N 0 0 329.425 3.038 10 10 EGCERN CCN(Cc1nc(-c2ccoc2)no1)c1ccc(OC)c(OC)c1 ZINC000729850160 574890365 /nfs/dbraw/zinc/89/03/65/574890365.db2.gz ZZNQHRXEJMFZKE-UHFFFAOYSA-N 0 0 329.356 3.373 10 10 EGCERN Cc1cc(CCNC(=O)COc2cccnc2)c(C)n1-c1ccccc1 ZINC000732054084 575234688 /nfs/dbraw/zinc/23/46/88/575234688.db2.gz LGHKORDMNXRRCU-UHFFFAOYSA-N 0 0 349.434 3.227 10 10 EGCERN CN1CCCc2cc(CNC(=O)Nc3ccc4nccn4c3)ccc21 ZINC000738949975 576370245 /nfs/dbraw/zinc/37/02/45/576370245.db2.gz PAELNZWMHDPSEZ-UHFFFAOYSA-N 0 0 335.411 3.038 10 10 EGCERN CCOc1c(F)cccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000742565593 576789901 /nfs/dbraw/zinc/78/99/01/576789901.db2.gz BFSWZHIGCFHGIK-UHFFFAOYSA-N 0 0 344.386 3.313 10 10 EGCERN CC(C)N1C(=O)CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1(C)C ZINC000743379400 576807713 /nfs/dbraw/zinc/80/77/13/576807713.db2.gz BPLQWAGHRDRVPQ-UHFFFAOYSA-N 0 0 348.487 3.227 10 10 EGCERN COc1ccc(N2CCN(C(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000045038360 1291504428 /nfs/dbraw/zinc/50/44/28/1291504428.db2.gz XLBHRHVDSWPGHM-UHFFFAOYSA-N 0 0 339.439 3.035 10 10 EGCERN Cc1cc(/C=C\C(=O)N2CC(=O)Nc3ccccc32)c(C)n1C1CC1 ZINC000096871196 1292955293 /nfs/dbraw/zinc/95/52/93/1292955293.db2.gz WRPBXSPLTSBGQH-YFHOEESVSA-N 0 0 335.407 3.438 10 10 EGCERN c1cc(N2CCOCC2)ccc1CNc1ccc(N2CCCC2)nc1 ZINC000121777121 1293388810 /nfs/dbraw/zinc/38/88/10/1293388810.db2.gz UXJXVQNRSRSICG-UHFFFAOYSA-N 0 0 338.455 3.131 10 10 EGCERN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000172060647 1294426729 /nfs/dbraw/zinc/42/67/29/1294426729.db2.gz YNIVYHUDMUIYSP-UHFFFAOYSA-N 0 0 328.368 3.048 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[C@@H](OC)C3)c2C)cc1 ZINC000189167514 1295505467 /nfs/dbraw/zinc/50/54/67/1295505467.db2.gz IAZCWYMSCZDRIL-MAUKXSAKSA-N 0 0 342.439 3.400 10 10 EGCERN CC(C)COc1cccc(OCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871204301 1296271383 /nfs/dbraw/zinc/27/13/83/1296271383.db2.gz XNGLUCOWIPOUMA-UHFFFAOYSA-N 0 0 341.407 3.348 10 10 EGCERN CC(C)(C)Oc1cccc(CCC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000871203541 1296271710 /nfs/dbraw/zinc/27/17/10/1296271710.db2.gz NBITUMYBQKKPRW-UHFFFAOYSA-N 0 0 340.423 3.440 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC000923030632 1322679026 /nfs/dbraw/zinc/67/90/26/1322679026.db2.gz IFEWBXPSKGRVHD-BLLLJJGKSA-N 0 0 338.245 3.264 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCN(Cc3ccccc3)CC2)c1O ZINC000310332272 1297092923 /nfs/dbraw/zinc/09/29/23/1297092923.db2.gz FGNHHHZGYMRIIO-UHFFFAOYSA-N 0 0 342.414 3.052 10 10 EGCERN COc1ccc(N2CCN(c3nnc(Cl)c(C)c3C)CC2)cc1 ZINC000320493666 1297166309 /nfs/dbraw/zinc/16/63/09/1297166309.db2.gz BJSBKBYLYHQNSQ-UHFFFAOYSA-N 0 0 332.835 3.082 10 10 EGCERN COc1cc(C)cc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1O ZINC000894692351 1309024820 /nfs/dbraw/zinc/02/48/20/1309024820.db2.gz FQWFYTUTVGIMNL-UHFFFAOYSA-N 0 0 337.423 3.244 10 10 EGCERN COc1cccc([C@@H]2C[C@H]2NC(=O)NCc2cccc(Cl)c2O)c1 ZINC000895233031 1309250114 /nfs/dbraw/zinc/25/01/14/1309250114.db2.gz DDEBNUFYMGJURC-GOEBONIOSA-N 0 0 346.814 3.410 10 10 EGCERN COc1c(O)c(CN[C@H]2c3ccccc3CC[C@H]2F)ccc1[N+](=O)[O-] ZINC000895690695 1309466792 /nfs/dbraw/zinc/46/67/92/1309466792.db2.gz KKBRKQVPLVLFJC-ZBFHGGJFSA-N 0 0 346.358 3.424 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000895752004 1309504546 /nfs/dbraw/zinc/50/45/46/1309504546.db2.gz BIOHGCGVBBRGKK-CYBMUJFWSA-N 0 0 327.758 3.017 10 10 EGCERN Cc1nc(CC(F)(F)F)sc1CC(=O)NCc1ccccc1O ZINC000896015114 1309652629 /nfs/dbraw/zinc/65/26/29/1309652629.db2.gz HXXMQOMGSUANJV-UHFFFAOYSA-N 0 0 344.358 3.121 10 10 EGCERN C[C@H](CCc1cccn1C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896685885 1309974054 /nfs/dbraw/zinc/97/40/54/1309974054.db2.gz KSTDTASYGWNDOK-LLVKDONJSA-N 0 0 344.436 3.402 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@@H]1c1ncon1 ZINC000896846282 1310049186 /nfs/dbraw/zinc/04/91/86/1310049186.db2.gz AUKGXTKTOHPQPN-SNVBAGLBSA-N 0 0 345.380 3.063 10 10 EGCERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC2(CCCC2)O1 ZINC000898107364 1310594615 /nfs/dbraw/zinc/59/46/15/1310594615.db2.gz SKCNNANSKZPKED-LLVKDONJSA-N 0 0 347.436 3.486 10 10 EGCERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCc3ccccc32)C1 ZINC000858108266 1328684416 /nfs/dbraw/zinc/68/44/16/1328684416.db2.gz ZZGIWBTWBZWCQV-OAHLLOKOSA-N 0 0 328.412 3.189 10 10 EGCERN CN(C)c1cc(F)c(CNCc2nccn2CC(F)(F)F)cc1F ZINC000858121567 1328688907 /nfs/dbraw/zinc/68/89/07/1328688907.db2.gz DNHQIOQFILNGOV-UHFFFAOYSA-N 0 0 348.319 3.079 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3ccc(C(F)F)o3)CC2)cc1 ZINC000858128685 1328690422 /nfs/dbraw/zinc/69/04/22/1328690422.db2.gz YEDFYLLYRYCSGH-UHFFFAOYSA-N 0 0 336.338 3.188 10 10 EGCERN CCOc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1OC ZINC000929779833 1328698349 /nfs/dbraw/zinc/69/83/49/1328698349.db2.gz LKDDEWQQYVJCBU-UHFFFAOYSA-N 0 0 328.368 3.347 10 10 EGCERN C[C@@H](O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1F ZINC000858185802 1328706608 /nfs/dbraw/zinc/70/66/08/1328706608.db2.gz YLEQVVDUGUNXJB-ZMZPIMSZSA-N 0 0 338.373 3.382 10 10 EGCERN C[C@H](O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1F ZINC000858185800 1328706657 /nfs/dbraw/zinc/70/66/57/1328706657.db2.gz YLEQVVDUGUNXJB-BBATYDOGSA-N 0 0 338.373 3.382 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2COc3cc(F)ccc3C2)cc1 ZINC000858199983 1328710517 /nfs/dbraw/zinc/71/05/17/1328710517.db2.gz WEFQVJJNJQZGCV-INIZCTEOSA-N 0 0 342.414 3.101 10 10 EGCERN COc1nnc(CN(Cc2ccco2)c2ccc(OC)c(F)c2)s1 ZINC000929990548 1328758532 /nfs/dbraw/zinc/75/85/32/1328758532.db2.gz FWEXXOFBQJHNPD-UHFFFAOYSA-N 0 0 349.387 3.494 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)[C@]12CCO[C@H]1CCCC2 ZINC000930206212 1328811511 /nfs/dbraw/zinc/81/15/11/1328811511.db2.gz SNDHQRVAJQHQMB-AZUAARDMSA-N 0 0 328.456 3.252 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000913926365 1319179391 /nfs/dbraw/zinc/17/93/91/1319179391.db2.gz ANTXFJVTHHRVEN-SFHVURJKSA-N 0 0 345.487 3.101 10 10 EGCERN CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000858650314 1328817205 /nfs/dbraw/zinc/81/72/05/1328817205.db2.gz OXFRZSYVISUHQF-AWEZNQCLSA-N 0 0 334.391 3.402 10 10 EGCERN C[C@@H](NC(=O)C[C@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930743824 1328955561 /nfs/dbraw/zinc/95/55/61/1328955561.db2.gz GDSRCLFVOIWQMH-SJORKVTESA-N 0 0 328.456 3.447 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)[C@H]2CCOC2)ccc1C ZINC000859264103 1328957282 /nfs/dbraw/zinc/95/72/82/1328957282.db2.gz SZHXUAWUQIKHJL-SFHVURJKSA-N 0 0 340.423 3.076 10 10 EGCERN Cc1cc(C)n([C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000920344320 1322166252 /nfs/dbraw/zinc/16/62/52/1322166252.db2.gz JXBVOIHYZXJPSK-MRXNPFEDSA-N 0 0 340.471 3.318 10 10 EGCERN C[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCS1 ZINC000921447607 1322317311 /nfs/dbraw/zinc/31/73/11/1322317311.db2.gz NMOOTRURLVTUHG-WDEREUQCSA-N 0 0 331.532 3.209 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCCOc2cc(F)ccc21 ZINC000921823479 1322405502 /nfs/dbraw/zinc/40/55/02/1322405502.db2.gz DNSWVVPPLHIWAR-HNNXBMFYSA-N 0 0 348.349 3.384 10 10 EGCERN CN(C)Cc1csc(CNC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000922487580 1322540792 /nfs/dbraw/zinc/54/07/92/1322540792.db2.gz TYTOJDTVCHUFRV-WAYWQWQTSA-N 0 0 330.501 3.074 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)NC[C@]34C[C@H]3CCC4)C2)cc1 ZINC000922950290 1322657587 /nfs/dbraw/zinc/65/75/87/1322657587.db2.gz HEAYKVNARGBPCA-YRNRMSPPSA-N 0 0 343.471 3.011 10 10 EGCERN Cc1nn(C)c(NC(=O)N[C@@H](C)c2ccccc2O)c1C(F)(F)F ZINC000931368714 1329103810 /nfs/dbraw/zinc/10/38/10/1329103810.db2.gz LEAOQBIVAHRPQZ-QMMMGPOBSA-N 0 0 342.321 3.336 10 10 EGCERN COc1ccc(N2CCN([C@H](C)c3ccc(F)nc3)CC2)c(OC)c1 ZINC000931530519 1329136990 /nfs/dbraw/zinc/13/69/90/1329136990.db2.gz IFDAJXFIGAZGSQ-CQSZACIVSA-N 0 0 345.418 3.121 10 10 EGCERN C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000860348342 1329307798 /nfs/dbraw/zinc/30/77/98/1329307798.db2.gz XAYGBQAABSGMOF-GXTWGEPZSA-N 0 0 345.361 3.488 10 10 EGCERN C[C@H](NC(=O)[C@@H]1C[C@@]1(C)Br)c1ccc(N(C)C)cc1 ZINC000860951108 1329372396 /nfs/dbraw/zinc/37/23/96/1329372396.db2.gz YPBYPTHSSFBEHU-VZJVUDMVSA-N 0 0 325.250 3.103 10 10 EGCERN CCO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])CN(C)C ZINC000926958283 1327797488 /nfs/dbraw/zinc/79/74/88/1327797488.db2.gz GCPYQPPBHJUXAM-MNOVXSKESA-N 0 0 335.275 3.316 10 10 EGCERN Cc1cnn(C)c1NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000861206915 1329397468 /nfs/dbraw/zinc/39/74/68/1329397468.db2.gz KSHFFYLDEHLBHL-UHFFFAOYSA-N 0 0 337.427 3.458 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCO[C@@H](C)CC2)c1 ZINC000928526625 1328349697 /nfs/dbraw/zinc/34/96/97/1328349697.db2.gz KPERNGYQWUDFAZ-HNNXBMFYSA-N 0 0 340.423 3.158 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H]2C2CC2)cc1 ZINC000861875959 1329447260 /nfs/dbraw/zinc/44/72/60/1329447260.db2.gz XOKHUZHBXJTUNV-FQEVSTJZSA-N 0 0 336.435 3.460 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000862027374 1329455936 /nfs/dbraw/zinc/45/59/36/1329455936.db2.gz PXMVFLHLUXFEEJ-AVRDEDQJSA-N 0 0 344.414 3.461 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000862129520 1329460794 /nfs/dbraw/zinc/46/07/94/1329460794.db2.gz QYIHOLJOVQJXNB-ZWKOTPCHSA-N 0 0 344.480 3.455 10 10 EGCERN Cc1cc(Cl)cc(CN[C@H](c2cnn(C)c2)C(F)(F)F)c1O ZINC000862365359 1329478430 /nfs/dbraw/zinc/47/84/30/1329478430.db2.gz PQUSCMBGRWDEJA-CYBMUJFWSA-N 0 0 333.741 3.481 10 10 EGCERN CN(C)c1cc(F)c(CN2CCc3cc(Cl)nnc3C2)cc1F ZINC000862398221 1329482821 /nfs/dbraw/zinc/48/28/21/1329482821.db2.gz BKKCOIPQOOKOBK-UHFFFAOYSA-N 0 0 338.789 3.033 10 10 EGCERN Cc1cc(CC(=O)N[C@@H]2CO[C@H](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000863281722 1329543630 /nfs/dbraw/zinc/54/36/30/1329543630.db2.gz KBZQKNIPFORMGC-ICSRJNTNSA-N 0 0 338.451 3.320 10 10 EGCERN Cc1cc(CC(=O)N[C@H]2CO[C@H](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000863281723 1329543752 /nfs/dbraw/zinc/54/37/52/1329543752.db2.gz KBZQKNIPFORMGC-QUCCMNQESA-N 0 0 338.451 3.320 10 10 EGCERN Cc1cnc(F)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000865031588 1329663005 /nfs/dbraw/zinc/66/30/05/1329663005.db2.gz MNWDODKLUOXHMR-UHFFFAOYSA-N 0 0 327.403 3.449 10 10 EGCERN C[C@H](O)c1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000865468555 1329701616 /nfs/dbraw/zinc/70/16/16/1329701616.db2.gz BEIVEXKGFBNAKW-GJZGRUSLSA-N 0 0 327.428 3.145 10 10 EGCERN O=C(NCCCSc1nccs1)c1c(Cl)n[nH]c1C1CC1 ZINC000865784254 1329738291 /nfs/dbraw/zinc/73/82/91/1329738291.db2.gz FGEDLOJZXOLQRI-UHFFFAOYSA-N 0 0 342.877 3.309 10 10 EGCERN Cc1cc(Br)c(O)c(CNc2ccn(CCF)n2)c1 ZINC000865835957 1329743550 /nfs/dbraw/zinc/74/35/50/1329743550.db2.gz LKDISXSQGGYJLC-UHFFFAOYSA-N 0 0 328.185 3.241 10 10 EGCERN COc1ccc(N2CC[C@@H](CNc3ccc([C@@H](C)O)cn3)C2)cc1 ZINC000865888687 1329749285 /nfs/dbraw/zinc/74/92/85/1329749285.db2.gz TUPVCAVFJSERIM-CABCVRRESA-N 0 0 327.428 3.082 10 10 EGCERN COc1cccc([C@@H](C)NCc2ncc(Br)s2)c1O ZINC000866620913 1330134063 /nfs/dbraw/zinc/13/40/63/1330134063.db2.gz WLYRFVZUARXBGB-MRVPVSSYSA-N 0 0 343.246 3.471 10 10 EGCERN COc1cc(C)cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000867301819 1330192576 /nfs/dbraw/zinc/19/25/76/1330192576.db2.gz FQBCQRCRZNWHNB-LBPRGKRZSA-N 0 0 329.396 3.084 10 10 EGCERN C[C@H](NS(=O)(=O)CCC1Cc2ccccc2C1)c1ccccc1O ZINC000867836245 1330222875 /nfs/dbraw/zinc/22/28/75/1330222875.db2.gz KZNDUCOPTGQCMR-AWEZNQCLSA-N 0 0 345.464 3.178 10 10 EGCERN CCOc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1OC ZINC000868052021 1330244115 /nfs/dbraw/zinc/24/41/15/1330244115.db2.gz VFGHWDAGCMTYPT-ZDUSSCGKSA-N 0 0 344.411 3.360 10 10 EGCERN C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000868110246 1330250557 /nfs/dbraw/zinc/25/05/57/1330250557.db2.gz WWNMHPJTSOOYPK-JKSUJKDBSA-N 0 0 339.439 3.279 10 10 EGCERN C[C@H](NC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1O ZINC000868756024 1330334019 /nfs/dbraw/zinc/33/40/19/1330334019.db2.gz ZORFNDMQUAYULS-COPLHBTASA-N 0 0 346.349 3.252 10 10 EGCERN C[C@@H](CC1CCC1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000868983613 1330386871 /nfs/dbraw/zinc/38/68/71/1330386871.db2.gz DVKFVXAVYDITIR-INIZCTEOSA-N 0 0 345.487 3.243 10 10 EGCERN CCOC(=O)c1cc(N(CC)Cc2ccc(N(C)C)cc2)nc(C)n1 ZINC001185726619 1387785141 /nfs/dbraw/zinc/78/51/41/1387785141.db2.gz ORDQASNOLRLKHV-UHFFFAOYSA-N 0 0 342.443 3.054 10 10 EGCERN COC(=O)CN(CCCC(C)(F)F)Cc1cc(Cl)ccc1O ZINC001191681588 1367559458 /nfs/dbraw/zinc/55/94/58/1367559458.db2.gz DUWDLSFMCFDIAR-UHFFFAOYSA-N 0 0 335.778 3.456 10 10 EGCERN CN(CCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC001192281688 1367738543 /nfs/dbraw/zinc/73/85/43/1367738543.db2.gz AAJKAGNMTJNMSC-UHFFFAOYSA-N 0 0 330.340 3.229 10 10 EGCERN CO[C@@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCC1 ZINC001118392575 1371173210 /nfs/dbraw/zinc/17/32/10/1371173210.db2.gz FPWWQSROIZMAQJ-INIZCTEOSA-N 0 0 346.452 3.288 10 10 EGCERN CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)ccc21 ZINC001118532854 1371194484 /nfs/dbraw/zinc/19/44/84/1371194484.db2.gz YUXKWWIAEJPRDH-OAGGEKHMSA-N 0 0 349.425 3.302 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)c3c(C)cccc3F)C2)cc1 ZINC001326636034 1388263908 /nfs/dbraw/zinc/26/39/08/1388263908.db2.gz FTNHJTNFAVKHLV-OAHLLOKOSA-N 0 0 342.414 3.399 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)OCCC(C)C)cc1 ZINC001130744512 1373587298 /nfs/dbraw/zinc/58/72/98/1373587298.db2.gz BYDBZPDDCVJGDN-MRXNPFEDSA-N 0 0 336.476 3.041 10 10 EGCERN CCCC[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032318 1375107581 /nfs/dbraw/zinc/10/75/81/1375107581.db2.gz RVFIDGTUPPOQQF-OAHLLOKOSA-N 0 0 334.460 3.179 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2ncc3ccccn32)cc1 ZINC001135735897 1377198145 /nfs/dbraw/zinc/19/81/45/1377198145.db2.gz VQZDDZHHYJBLGG-UHFFFAOYSA-N 0 0 336.439 3.453 10 10 EGCERN C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136366916 1377383238 /nfs/dbraw/zinc/38/32/38/1377383238.db2.gz CDGGUKWWRSIVPN-LLVKDONJSA-N 0 0 344.346 3.185 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)NC2CC(C)C2)CCCC1 ZINC001137213452 1377497759 /nfs/dbraw/zinc/49/77/59/1377497759.db2.gz DNHUEKDGRONRKE-UHFFFAOYSA-N 0 0 326.440 3.443 10 10 EGCERN CCCOc1ccc2c(c1)CCN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001137696812 1377596665 /nfs/dbraw/zinc/59/66/65/1377596665.db2.gz GFLKMVSKHSAWSM-UHFFFAOYSA-N 0 0 341.407 3.014 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H](CO)[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC001139270574 1377860823 /nfs/dbraw/zinc/86/08/23/1377860823.db2.gz ZGASCZAPEBGXAG-DOTOQJQBSA-N 0 0 326.440 3.245 10 10 EGCERN CC(C)[C@@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)CCO1 ZINC001141105369 1378240998 /nfs/dbraw/zinc/24/09/98/1378240998.db2.gz MJHLBBNIHLOQHV-DOMZBBRYSA-N 0 0 332.404 3.030 10 10 EGCERN CCCCCc1cc(C(=O)NCc2ccc(N(C)C)cc2C)[nH]n1 ZINC001146198632 1378793656 /nfs/dbraw/zinc/79/36/56/1378793656.db2.gz YLFOPQZKBMXFKD-UHFFFAOYSA-N 0 0 328.460 3.447 10 10 EGCERN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001147218291 1378989490 /nfs/dbraw/zinc/98/94/90/1378989490.db2.gz OGWKOSGKEZULDJ-ADLMAVQZSA-N 0 0 349.814 3.186 10 10 EGCERN CN(C)c1ccc(CN(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C2CC2)cc1 ZINC001327771091 1388594884 /nfs/dbraw/zinc/59/48/84/1388594884.db2.gz UGFHYOYQKUUCJY-AYGBPOKTSA-N 0 0 349.425 3.470 10 10 EGCERN O=C(c1cc(F)c[nH]c1=O)N(Cc1ccco1)Cc1ccccc1O ZINC001149857812 1379457398 /nfs/dbraw/zinc/45/73/98/1379457398.db2.gz PSFPKSZKKZPJBY-UHFFFAOYSA-N 0 0 342.326 3.068 10 10 EGCERN O=C(NCc1c(Cl)cccc1OC(F)F)c1cccc(O)c1O ZINC001151873239 1379806798 /nfs/dbraw/zinc/80/67/98/1379806798.db2.gz YHICFZHMJRTECS-UHFFFAOYSA-N 0 0 343.713 3.283 10 10 EGCERN C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001151885889 1379810261 /nfs/dbraw/zinc/81/02/61/1379810261.db2.gz MEYSGXRVPJFQQZ-SNVBAGLBSA-N 0 0 336.294 3.270 10 10 EGCERN O=C(CCCOc1ccccc1Cl)NCc1cc(O)ccc1O ZINC001153879447 1380148270 /nfs/dbraw/zinc/14/82/70/1380148270.db2.gz PFAOXVDHGOJUEO-UHFFFAOYSA-N 0 0 335.787 3.227 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1ncsc1-c1ccccc1 ZINC001153886135 1380149513 /nfs/dbraw/zinc/14/95/13/1380149513.db2.gz XNOFDTBXQVUNGW-UHFFFAOYSA-N 0 0 326.377 3.151 10 10 EGCERN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041318 1380757894 /nfs/dbraw/zinc/75/78/94/1380757894.db2.gz DAMGTPMTDUCQBR-GFCCVEGCSA-N 0 0 337.423 3.380 10 10 EGCERN CCc1nc2c(nccc2C(=O)NCc2c(O)ccc3ccccc32)[nH]1 ZINC001157049621 1380760993 /nfs/dbraw/zinc/76/09/93/1380760993.db2.gz APANIEXOIJETCE-UHFFFAOYSA-N 0 0 346.390 3.309 10 10 EGCERN CC1(C)CCC[C@@](O)(C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001157050456 1380761213 /nfs/dbraw/zinc/76/12/13/1380761213.db2.gz GZPVNMYUMUUIQN-FQEVSTJZSA-N 0 0 327.424 3.493 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)cc(Cl)c1N ZINC001157107480 1380777710 /nfs/dbraw/zinc/77/77/10/1380777710.db2.gz FAZAXUIBUVCUFL-UHFFFAOYSA-N 0 0 343.782 3.183 10 10 EGCERN Cc1cc(CNC(=O)c2cnn3ncccc23)c(C)n1-c1ccccc1 ZINC001287661614 1381319942 /nfs/dbraw/zinc/31/99/42/1381319942.db2.gz UALYMZVROQPTSL-UHFFFAOYSA-N 0 0 345.406 3.067 10 10 EGCERN Cc1cc(C(=O)Nc2c3n[nH]nc3ccc2C)c(C)n1-c1ccccn1 ZINC001159304646 1381757810 /nfs/dbraw/zinc/75/78/10/1381757810.db2.gz KTAZHXHRAHIQHJ-UHFFFAOYSA-N 0 0 346.394 3.321 10 10 EGCERN Cc1ccc(/C=C\C(=O)N2CCCc3c4ncn(C)c4ccc32)cn1 ZINC001159677371 1381865766 /nfs/dbraw/zinc/86/57/66/1381865766.db2.gz OWMDVTDABFGBME-YFHOEESVSA-N 0 0 332.407 3.269 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2sc3ncccc3c2N)cc1 ZINC001290289478 1382079255 /nfs/dbraw/zinc/07/92/55/1382079255.db2.gz DZTZBPSAKOAQSW-UHFFFAOYSA-N 0 0 340.452 3.217 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccc(OC)c(F)c2N)cc1 ZINC001291711856 1382151549 /nfs/dbraw/zinc/15/15/49/1382151549.db2.gz WARVQSKCULNWQF-UHFFFAOYSA-N 0 0 345.418 3.193 10 10 EGCERN CO[C@@H](CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(C)C ZINC001294016706 1382407516 /nfs/dbraw/zinc/40/75/16/1382407516.db2.gz KPONDAVUQUKYHL-IBGZPJMESA-N 0 0 342.439 3.307 10 10 EGCERN COC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC001294678059 1382482837 /nfs/dbraw/zinc/48/28/37/1382482837.db2.gz JKXWPHHFGFEARR-UHFFFAOYSA-N 0 0 328.368 3.151 10 10 EGCERN CC(C)(C)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] ZINC001162271853 1382718154 /nfs/dbraw/zinc/71/81/54/1382718154.db2.gz UCNOLPZQJYKZPV-UHFFFAOYSA-N 0 0 344.367 3.234 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1Cc1ccccc1F ZINC001165479405 1383301209 /nfs/dbraw/zinc/30/12/09/1383301209.db2.gz GLWYAYLGGGTBRG-MRXNPFEDSA-N 0 0 343.398 3.403 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(O)cc1O ZINC001299571244 1383572275 /nfs/dbraw/zinc/57/22/75/1383572275.db2.gz SFYAMDYTBKSPIA-UHFFFAOYSA-N 0 0 342.420 3.497 10 10 EGCERN COCCN(CCF)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001300452393 1383665518 /nfs/dbraw/zinc/66/55/18/1383665518.db2.gz VJABMHCCIOUKTD-UHFFFAOYSA-N 0 0 332.419 3.461 10 10 EGCERN Cc1nc2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)c1ccccc1O ZINC001302537919 1383756991 /nfs/dbraw/zinc/75/69/91/1383756991.db2.gz AGPFYXBMWWLEJU-JTQLQIEISA-N 0 0 345.349 3.206 10 10 EGCERN C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001302538024 1383757320 /nfs/dbraw/zinc/75/73/20/1383757320.db2.gz DFLVDHAQMGYONL-MELADBBJSA-N 0 0 333.428 3.327 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cc(-c2ccccc2Cl)on1 ZINC001304050546 1383825005 /nfs/dbraw/zinc/82/50/05/1383825005.db2.gz NODYWXORRQMKHJ-UHFFFAOYSA-N 0 0 344.754 3.336 10 10 EGCERN O=C(Cc1nc(C2CCCC2)cs1)NCc1c(O)cccc1O ZINC001304054077 1383826204 /nfs/dbraw/zinc/82/62/04/1383826204.db2.gz CUOZGDGXSFQSLX-UHFFFAOYSA-N 0 0 332.425 3.071 10 10 EGCERN O=C(CSC[C@H]1CCCCO1)NCc1c(O)ccc2ccccc21 ZINC001304089587 1383829216 /nfs/dbraw/zinc/82/92/16/1383829216.db2.gz CGVINZBRBSUKKT-OAHLLOKOSA-N 0 0 345.464 3.464 10 10 EGCERN Cc1cc(C(=O)Nc2cccc(NC=O)c2)c(C)n1-c1ccccn1 ZINC001304101557 1383830434 /nfs/dbraw/zinc/83/04/34/1383830434.db2.gz GZLUETGUCFRJNH-UHFFFAOYSA-N 0 0 334.379 3.310 10 10 EGCERN CCc1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001306125523 1383877719 /nfs/dbraw/zinc/87/77/19/1383877719.db2.gz PVVPCWZOADBPHQ-HOCLYGCPSA-N 0 0 341.503 3.498 10 10 EGCERN CCOC(=O)c1ncc(Br)c(Sc2nccs2)n1 ZINC001306938867 1383923833 /nfs/dbraw/zinc/92/38/33/1383923833.db2.gz LSHYOXGPLJBBCP-UHFFFAOYSA-N 0 0 346.231 3.024 10 10 EGCERN CCc1nnc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)nc1CC ZINC001307144127 1383945038 /nfs/dbraw/zinc/94/50/38/1383945038.db2.gz VPHFLBDBXATVER-AWEZNQCLSA-N 0 0 327.476 3.414 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H]2O)c1 ZINC001168717523 1383979617 /nfs/dbraw/zinc/97/96/17/1383979617.db2.gz ZTIFVIINNXLEFP-IRXDYDNUSA-N 0 0 332.831 3.391 10 10 EGCERN CCN(CC(F)(F)F)C(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC001169253460 1384128033 /nfs/dbraw/zinc/12/80/33/1384128033.db2.gz UGPHGWHJMVVCHI-UHFFFAOYSA-N 0 0 332.366 3.321 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H](C(C)(C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC001176981382 1385763172 /nfs/dbraw/zinc/76/31/72/1385763172.db2.gz OKENZTNGKAGTOG-OAHLLOKOSA-N 0 0 344.430 3.466 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H](C(C)(C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC001176981379 1385763844 /nfs/dbraw/zinc/76/38/44/1385763844.db2.gz OKENZTNGKAGTOG-HNNXBMFYSA-N 0 0 344.430 3.466 10 10 EGCERN CCOc1c(Cl)cccc1CC(=O)NCc1c(O)cccc1F ZINC001178412597 1386210096 /nfs/dbraw/zinc/21/00/96/1386210096.db2.gz BFEUNSUQDQHQKY-UHFFFAOYSA-N 0 0 337.778 3.442 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc(Br)c(F)c1 ZINC001178413619 1386210206 /nfs/dbraw/zinc/21/02/06/1386210206.db2.gz VFGHXMRUXDVFJP-UHFFFAOYSA-N 0 0 342.139 3.363 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)CCC(C)(C)C(C)=O)CC2)cc1 ZINC001320394643 1386598385 /nfs/dbraw/zinc/59/83/85/1386598385.db2.gz NSSHZSWYTJEDCR-UHFFFAOYSA-N 0 0 346.471 3.129 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCCC[C@H]2N(C)C)c1 ZINC001320822561 1386728798 /nfs/dbraw/zinc/72/87/98/1386728798.db2.gz LZLZZGFULWHSHY-LSDHHAIUSA-N 0 0 341.293 3.426 10 10 EGCERN O=C([O-])C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC001322234718 1387113534 /nfs/dbraw/zinc/11/35/34/1387113534.db2.gz UQSOTBSCNLCFPK-IBGZPJMESA-N 0 0 346.471 3.036 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCOC[C@H]2C)c1 ZINC001331542526 1389790862 /nfs/dbraw/zinc/79/08/62/1389790862.db2.gz PWEJNECWOSNTJF-BFUOFWGJSA-N 0 0 340.423 3.061 10 10 EGCERN CCOc1ccc(N2CCN(Cc3nc(C(C)C)ns3)CC2)cc1 ZINC001334624608 1390562572 /nfs/dbraw/zinc/56/25/72/1390562572.db2.gz DKDMJOSJCMOTSM-UHFFFAOYSA-N 0 0 346.500 3.382 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](CCCO)c2ccccc2)c1 ZINC001346694224 1390970815 /nfs/dbraw/zinc/97/08/15/1390970815.db2.gz BAJDUODVZOUXNY-YOEHRIQHSA-N 0 0 343.423 3.134 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)NCc3nocc3C)ccc21 ZINC001347294234 1391049125 /nfs/dbraw/zinc/04/91/25/1391049125.db2.gz ZQWMFUBLYRHCHM-UHFFFAOYSA-N 0 0 341.411 3.131 10 10 EGCERN CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC001348173889 1391182380 /nfs/dbraw/zinc/18/23/80/1391182380.db2.gz YSXCYDGAYRTELZ-GFCCVEGCSA-N 0 0 333.457 3.425 10 10 EGCERN COc1ccc([C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)c(OC)c1 ZINC001348507994 1391229863 /nfs/dbraw/zinc/22/98/63/1391229863.db2.gz ZPJWBULDDOFJEI-GFCCVEGCSA-N 0 0 342.395 3.196 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC001348645711 1391247988 /nfs/dbraw/zinc/24/79/88/1391247988.db2.gz LVLNEISOWFPOKJ-BBWFWOEESA-N 0 0 328.456 3.170 10 10 EGCERN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)c2nnn(C)n2)cc1 ZINC001349199784 1391310315 /nfs/dbraw/zinc/31/03/15/1391310315.db2.gz ARAYOHCLWAODCZ-UHFFFAOYSA-N 0 0 335.371 3.495 10 10 EGCERN COc1nc(C)ccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351163686 1391606124 /nfs/dbraw/zinc/60/61/24/1391606124.db2.gz RAXKGJLREANOBM-UHFFFAOYSA-N 0 0 339.439 3.271 10 10 EGCERN COc1cncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001351673043 1391668709 /nfs/dbraw/zinc/66/87/09/1391668709.db2.gz HOALCLQKZMZGGH-UHFFFAOYSA-N 0 0 339.439 3.271 10 10 EGCERN CC[C@@H]1[C@H](C)CCN1c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694803891 1406069090 /nfs/dbraw/zinc/06/90/90/1406069090.db2.gz WPGCLXFZUUIVAW-CXAGYDPISA-N 0 0 345.466 3.465 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@]1(C)CCCO1 ZINC001696700040 1406119445 /nfs/dbraw/zinc/11/94/45/1406119445.db2.gz PBPRCABGGZIYOW-IBGZPJMESA-N 0 0 342.443 3.067 10 10 EGCERN CC[C@H]1CCCN1c1nnc(C)n1Cc1ccc2c(c1)CCCN2C ZINC001709274512 1417431753 /nfs/dbraw/zinc/43/17/53/1417431753.db2.gz XUGZQJJOKSDLKO-SFHVURJKSA-N 0 0 339.487 3.396 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CC(F)(F)F ZINC001711095944 1417477826 /nfs/dbraw/zinc/47/78/26/1417477826.db2.gz CTTJAFINWMEILH-UHFFFAOYSA-N 0 0 342.365 3.480 10 10 EGCERN O=S(=O)(/C=C/c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000030419022 202195671 /nfs/dbraw/zinc/19/56/71/202195671.db2.gz OUPLCSSCBKXJQW-NTCAYCPXSA-N 0 0 342.464 3.377 10 10 EGCERN CCCCNC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000005660284 201658707 /nfs/dbraw/zinc/65/87/07/201658707.db2.gz WKRZGAQWWSHQNH-UHFFFAOYSA-N 0 0 328.412 3.167 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000071792530 203112629 /nfs/dbraw/zinc/11/26/29/203112629.db2.gz GSCITYOHUUYSBE-UHFFFAOYSA-N 0 0 332.227 3.474 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nnc3ccccn32)cc1 ZINC000007735247 453108757 /nfs/dbraw/zinc/10/87/57/453108757.db2.gz IILVXYHBFGXBIR-UHFFFAOYSA-N 0 0 345.406 3.067 10 10 EGCERN Cc1cc(C(=O)O[C@H](C)C(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000016047196 453592140 /nfs/dbraw/zinc/59/21/40/453592140.db2.gz MPLWKKIFLAASQG-OAHLLOKOSA-N 0 0 328.412 3.164 10 10 EGCERN COc1cc(C)c(NC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000031726589 453852884 /nfs/dbraw/zinc/85/28/84/453852884.db2.gz ITRAABCHZVKZJH-UHFFFAOYSA-N 0 0 343.427 3.400 10 10 EGCERN CC(=O)Nc1ccc(O)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000055289975 453975020 /nfs/dbraw/zinc/97/50/20/453975020.db2.gz DXFGXORVEQPFOC-UHFFFAOYSA-N 0 0 339.395 3.203 10 10 EGCERN COc1cc(C=C2SC(NC3CCCC3)=NC2=O)cc(OC)c1 ZINC000096288910 454315773 /nfs/dbraw/zinc/31/57/73/454315773.db2.gz UPAKYRMBCPAUQT-OQLLNIDSSA-N 0 0 332.425 3.206 10 10 EGCERN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C\c3cccnc3)NC(=O)CCN21 ZINC000104089406 454574341 /nfs/dbraw/zinc/57/43/41/454574341.db2.gz SPXSHOYQYPZLDR-FLJMFPIGSA-N 0 0 333.435 3.417 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000136004763 454714186 /nfs/dbraw/zinc/71/41/86/454714186.db2.gz LVDNZZZWEBKVFH-YIONKMFJSA-N 0 0 330.453 3.284 10 10 EGCERN COc1cccc(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1O ZINC000093637628 454725493 /nfs/dbraw/zinc/72/54/93/454725493.db2.gz ORUNBVQBQIEJQJ-GOSISDBHSA-N 0 0 331.387 3.422 10 10 EGCERN COCCN(Cc1nccn1C(C)C)c1ccc(OC)c(OC)c1 ZINC000177131508 454826761 /nfs/dbraw/zinc/82/67/61/454826761.db2.gz HBAAVKQGMXNVPM-UHFFFAOYSA-N 0 0 333.432 3.134 10 10 EGCERN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c(O)c1O ZINC000177676563 454890992 /nfs/dbraw/zinc/89/09/92/454890992.db2.gz JQFHVPDWTMBQJC-KRWDZBQOSA-N 0 0 334.375 3.321 10 10 EGCERN CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156504670 455126329 /nfs/dbraw/zinc/12/63/29/455126329.db2.gz BTHSFEFFSHAGSD-SKDRFNHKSA-N 0 0 341.242 3.346 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCOc2ccccc21 ZINC000183460978 455295504 /nfs/dbraw/zinc/29/55/04/455295504.db2.gz CCUHLSLRNRRIRQ-DZGCQCFKSA-N 0 0 341.407 3.101 10 10 EGCERN Cc1[nH]nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000265291339 455303044 /nfs/dbraw/zinc/30/30/44/455303044.db2.gz ZSOIWAIQJFFSJL-UHFFFAOYSA-N 0 0 326.444 3.289 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c1O ZINC000181927815 455401064 /nfs/dbraw/zinc/40/10/64/455401064.db2.gz HJIFGYNSMNOQFT-UGSOOPFHSA-N 0 0 340.423 3.442 10 10 EGCERN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185172529 455516093 /nfs/dbraw/zinc/51/60/93/455516093.db2.gz VMZXHZHHPUJZME-AWEZNQCLSA-N 0 0 342.414 3.487 10 10 EGCERN C[C@H](CCC(=O)N(C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000192434098 455614830 /nfs/dbraw/zinc/61/48/30/455614830.db2.gz FIVLMQQZFUEENW-CYBMUJFWSA-N 0 0 336.432 3.044 10 10 EGCERN Nc1c(Cl)cc(N2C(=O)[C@@H]3[C@H]4CCC[C@@H]4CN3C2=O)cc1Cl ZINC000278274017 455803253 /nfs/dbraw/zinc/80/32/53/455803253.db2.gz YRTDOCCNGIODEQ-CERSQZSQSA-N 0 0 340.210 3.143 10 10 EGCERN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC[C@H]1C ZINC000294410541 455814882 /nfs/dbraw/zinc/81/48/82/455814882.db2.gz WKKKFRINJJUXLL-MNOVXSKESA-N 0 0 328.815 3.064 10 10 EGCERN C[C@H]1C[C@@H](C(=O)NCc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000280036462 455881783 /nfs/dbraw/zinc/88/17/83/455881783.db2.gz VDQKHURPIWVKDK-KBPBESRZSA-N 0 0 348.443 3.044 10 10 EGCERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1O ZINC000188382957 456054284 /nfs/dbraw/zinc/05/42/84/456054284.db2.gz LFRLTYBKCKPQMI-INIZCTEOSA-N 0 0 327.380 3.090 10 10 EGCERN Brc1cncc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000236588396 456157026 /nfs/dbraw/zinc/15/70/26/456157026.db2.gz CKUVINUZQLSUGA-UHFFFAOYSA-N 0 0 348.244 3.293 10 10 EGCERN C[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1ccc(N(C)C)cc1 ZINC000324254111 456664906 /nfs/dbraw/zinc/66/49/06/456664906.db2.gz IKYZOPIQNAFOMY-CABCVRRESA-N 0 0 327.476 3.482 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000370366574 457630543 /nfs/dbraw/zinc/63/05/43/457630543.db2.gz KXJFWDYTEJLUKZ-YRKRUQKISA-N 0 0 339.391 3.005 10 10 EGCERN Cc1cc(C(=O)N[C@H]2CCc3[nH]cnc3C2)c(C)n1-c1cccc(C)c1 ZINC000361278411 457677056 /nfs/dbraw/zinc/67/70/56/457677056.db2.gz MBNUBNGFRRCXSZ-INIZCTEOSA-N 0 0 348.450 3.413 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@@H]2CCCc3nc(C)sc32)c1 ZINC000374745355 457699516 /nfs/dbraw/zinc/69/95/16/457699516.db2.gz WVHRLASJGQWSJL-CQSZACIVSA-N 0 0 347.440 3.043 10 10 EGCERN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000368886541 458064485 /nfs/dbraw/zinc/06/44/85/458064485.db2.gz CUKJHHSUOQPWHK-OAHLLOKOSA-N 0 0 343.379 3.092 10 10 EGCERN Cc1noc2ncnc(N3CC=C(c4ccc(Cl)nc4)CC3)c12 ZINC000369117568 458087766 /nfs/dbraw/zinc/08/77/66/458087766.db2.gz QWXJUICTQBFWJZ-UHFFFAOYSA-N 0 0 327.775 3.268 10 10 EGCERN CC[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(F)cc1[O-] ZINC000527998829 459791816 /nfs/dbraw/zinc/79/18/16/459791816.db2.gz COOBYEPTYQKPEW-DLBZAZTESA-N 0 0 328.387 3.399 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCC(F)(F)CC1 ZINC000528996098 459819993 /nfs/dbraw/zinc/81/99/93/459819993.db2.gz LQKKLVFSAKZSER-LLVKDONJSA-N 0 0 327.371 3.361 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]3C(F)F)ccc21 ZINC000633243558 461018481 /nfs/dbraw/zinc/01/84/81/461018481.db2.gz CRNUSAUFNJBWSJ-MRXNPFEDSA-N 0 0 336.382 3.384 10 10 EGCERN Cc1ccc(-c2nnc(COC(=O)c3ccc(C)c(O)c3O)o2)cc1 ZINC000727003584 574630435 /nfs/dbraw/zinc/63/04/35/574630435.db2.gz BCLOVCHIALUTDC-UHFFFAOYSA-N 0 0 340.335 3.122 10 10 EGCERN CCOCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000728346630 574741742 /nfs/dbraw/zinc/74/17/42/574741742.db2.gz BWYBPLZVEAPCLN-UHFFFAOYSA-N 0 0 347.386 3.386 10 10 EGCERN C[C@@H]1CN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2O1 ZINC000732035216 575232623 /nfs/dbraw/zinc/23/26/23/575232623.db2.gz QPQBXVZIQQEVSX-PLSXKVAHSA-N 0 0 331.375 3.457 10 10 EGCERN CCCN(CCC)c1ccc(CN2CCN(C(=O)C3CC3)CC2)cc1 ZINC000732592147 575278573 /nfs/dbraw/zinc/27/85/73/575278573.db2.gz UUDMVGWGGGHOJD-UHFFFAOYSA-N 0 0 343.515 3.367 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3cc[nH]n3)c2C)cc1 ZINC000732660673 575281313 /nfs/dbraw/zinc/28/13/13/575281313.db2.gz GVMCBLGBOMULBC-UHFFFAOYSA-N 0 0 338.411 3.098 10 10 EGCERN COc1cccc(C[C@H](C)NC(=O)N(C)Cc2ccccc2O)c1 ZINC000733042266 575303497 /nfs/dbraw/zinc/30/34/97/575303497.db2.gz JOBJJXNCERMWLR-AWEZNQCLSA-N 0 0 328.412 3.173 10 10 EGCERN Cc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000741899443 576732232 /nfs/dbraw/zinc/73/22/32/576732232.db2.gz GFPCHUMQEYZCOY-UHFFFAOYSA-N 0 0 344.846 3.309 10 10 EGCERN Cc1cc(C(=O)OCCOc2cccnc2)c(C)n1-c1ccccn1 ZINC000744141895 576821393 /nfs/dbraw/zinc/82/13/93/576821393.db2.gz HWBXRXUFEQYGNP-UHFFFAOYSA-N 0 0 337.379 3.120 10 10 EGCERN COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000054062441 1291741957 /nfs/dbraw/zinc/74/19/57/1291741957.db2.gz KBVNOCVNGHJTBZ-INIZCTEOSA-N 0 0 339.439 3.288 10 10 EGCERN CC(=O)N1C[C@H](C)CN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC000078935507 1292534093 /nfs/dbraw/zinc/53/40/93/1292534093.db2.gz PANVGWZYGSZEDH-FEAKQIBJSA-N 0 0 335.407 3.131 10 10 EGCERN COC[C@@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000103615530 1293010895 /nfs/dbraw/zinc/01/08/95/1293010895.db2.gz ZWCHYBXETCJZDW-SUMWQHHRSA-N 0 0 344.411 3.149 10 10 EGCERN COc1cc(N(C)Cc2c(C)nc3ccccn32)cc(OC)c1OC ZINC000160603242 1294271821 /nfs/dbraw/zinc/27/18/21/1294271821.db2.gz FSVOZTNTTRFGAJ-UHFFFAOYSA-N 0 0 341.411 3.305 10 10 EGCERN CC(C)Oc1ncc(C(=O)N2Cc3cccc(O)c3C2)cc1Cl ZINC000871201157 1296269855 /nfs/dbraw/zinc/26/98/55/1296269855.db2.gz QNAIDCLYDWADNQ-UHFFFAOYSA-N 0 0 332.787 3.384 10 10 EGCERN C[C@H](C(=O)N1Cc2cccc(O)c2C1)[C@@H]1OCCc2sccc21 ZINC000871205183 1296272840 /nfs/dbraw/zinc/27/28/40/1296272840.db2.gz QMGRXYZCMSWIGH-GTNSWQLSSA-N 0 0 329.421 3.246 10 10 EGCERN COC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000243549107 1296292165 /nfs/dbraw/zinc/29/21/65/1296292165.db2.gz OJFOUVNNTBMKJM-UHFFFAOYSA-N 0 0 341.411 3.200 10 10 EGCERN CN(Cc1ccccc1O)S(=O)(=O)c1cccc2ccccc21 ZINC000323753598 1297202159 /nfs/dbraw/zinc/20/21/59/1297202159.db2.gz ZYDGZRKLNGXDKJ-UHFFFAOYSA-N 0 0 327.405 3.366 10 10 EGCERN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000708216427 1298237501 /nfs/dbraw/zinc/23/75/01/1298237501.db2.gz SHMJIZWYQSTHEZ-LLVKDONJSA-N 0 0 334.641 3.419 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000880056812 1300905320 /nfs/dbraw/zinc/90/53/20/1300905320.db2.gz KVRJXUKUMFLEAL-XPTSAGLGSA-N 0 0 349.324 3.276 10 10 EGCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)O2 ZINC000886338003 1303440178 /nfs/dbraw/zinc/44/01/78/1303440178.db2.gz FXJRDPQDVRXOFO-UZTWBRENSA-N 0 0 343.826 3.247 10 10 EGCERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1cccc(Cl)c1O ZINC000890760717 1304872532 /nfs/dbraw/zinc/87/25/32/1304872532.db2.gz XNVUBXYERQHXAG-UHFFFAOYSA-N 0 0 349.843 3.240 10 10 EGCERN Cc1cc(O)c(CN2CCc3nc[nH]c3C23CCOCC3)cc1Cl ZINC000895071277 1309179925 /nfs/dbraw/zinc/17/99/25/1309179925.db2.gz ZPDABSOLXORXPF-UHFFFAOYSA-N 0 0 347.846 3.141 10 10 EGCERN O=C(NCCOC1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895824083 1309538595 /nfs/dbraw/zinc/53/85/95/1309538595.db2.gz VZTHAFIJKBVNJK-UHFFFAOYSA-N 0 0 335.425 3.392 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845892 1309554171 /nfs/dbraw/zinc/55/41/71/1309554171.db2.gz RGSBDAGGDMHUQZ-QMTHXVAHSA-N 0 0 344.224 3.295 10 10 EGCERN O=C(NC[C@H](CO)C1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897854601 1310492055 /nfs/dbraw/zinc/49/20/55/1310492055.db2.gz XFSVUDMMWGKGCK-CYBMUJFWSA-N 0 0 349.452 3.231 10 10 EGCERN CC(C)[C@H]1C[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897900963 1310511836 /nfs/dbraw/zinc/51/18/36/1310511836.db2.gz MDWXANYKSAATAQ-XHDPSFHLSA-N 0 0 349.452 3.494 10 10 EGCERN CC1(C)C[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897941951 1310524915 /nfs/dbraw/zinc/52/49/15/1310524915.db2.gz IDZMBLQBIXPJGP-JTQLQIEISA-N 0 0 335.425 3.248 10 10 EGCERN CO[C@](C)([C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000897974627 1310535687 /nfs/dbraw/zinc/53/56/87/1310535687.db2.gz WMNATFSLWSWLPT-HUTHGQBESA-N 0 0 335.425 3.246 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CCCCO2)CC1 ZINC000899222756 1310986183 /nfs/dbraw/zinc/98/61/83/1310986183.db2.gz MORHCEUZLGUTBV-UHFFFAOYSA-N 0 0 347.436 3.488 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000858274555 1328726809 /nfs/dbraw/zinc/72/68/09/1328726809.db2.gz VSQMMJFTKSPQRN-KSMMKXTCSA-N 0 0 340.423 3.453 10 10 EGCERN O=C(NCc1c(O)cccc1F)Nc1cccc(N2CCCC2)c1 ZINC000929973284 1328753649 /nfs/dbraw/zinc/75/36/49/1328753649.db2.gz JCRXRTGBKCIUQW-UHFFFAOYSA-N 0 0 329.375 3.453 10 10 EGCERN Cc1nc2sccn2c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858452299 1328766370 /nfs/dbraw/zinc/76/63/70/1328766370.db2.gz JHHZYBHSCAMBJH-UHFFFAOYSA-N 0 0 340.452 3.234 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)Cc2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000915213537 1319444375 /nfs/dbraw/zinc/44/43/75/1319444375.db2.gz AURCUDQHRKVFTR-VURMDHGXSA-N 0 0 345.355 3.022 10 10 EGCERN C/C=C/C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000858864416 1328879627 /nfs/dbraw/zinc/87/96/27/1328879627.db2.gz YPFHRFCQWFSWIK-QAVQXKDTSA-N 0 0 331.372 3.108 10 10 EGCERN COc1ccc(N2CCC(NC(=O)C[C@H](C)C(F)(F)F)CC2)cc1 ZINC000859096551 1328922500 /nfs/dbraw/zinc/92/25/00/1328922500.db2.gz FYSXUBHSFWCDRA-LBPRGKRZSA-N 0 0 344.377 3.369 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1c(Cl)nn(C)c1Cl ZINC000859421107 1328985104 /nfs/dbraw/zinc/98/51/04/1328985104.db2.gz LNHPSIVWABYEGE-UHFFFAOYSA-N 0 0 341.242 3.031 10 10 EGCERN CCN(CC(=O)Nc1cccc(C)c1)c1ccc(OC)c(OC)c1 ZINC000921061096 1322250588 /nfs/dbraw/zinc/25/05/88/1322250588.db2.gz NRCHUOZSFISTAI-UHFFFAOYSA-N 0 0 328.412 3.477 10 10 EGCERN CC(C)n1cc2c(n1)[C@H](NC(=O)NCc1c(O)cccc1F)CCC2 ZINC000921997040 1322436796 /nfs/dbraw/zinc/43/67/96/1322436796.db2.gz PHKYAVZFBGHKFN-OAHLLOKOSA-N 0 0 346.406 3.186 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)NCCC3CC=CC3)C2)cc1 ZINC000922950246 1322657601 /nfs/dbraw/zinc/65/76/01/1322657601.db2.gz GKSJHPMRDGXJTN-KRWDZBQOSA-N 0 0 343.471 3.177 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923027802 1322677604 /nfs/dbraw/zinc/67/76/04/1322677604.db2.gz JDAJLWRWYWYVQZ-ZDUSSCGKSA-N 0 0 344.224 3.485 10 10 EGCERN CC/C=C(/F)C(=O)NCc1cc(NC(=O)/C(F)=C/CC)ccc1O ZINC000923119724 1322695854 /nfs/dbraw/zinc/69/58/54/1322695854.db2.gz QVIKSBUZNAMXRS-LSMSNJBFSA-N 0 0 338.354 3.474 10 10 EGCERN Cc1cnc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000926743241 1327694418 /nfs/dbraw/zinc/69/44/18/1327694418.db2.gz AWFUZZXPLNTHFT-UHFFFAOYSA-N 0 0 326.444 3.106 10 10 EGCERN CC[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000926977968 1327805017 /nfs/dbraw/zinc/80/50/17/1327805017.db2.gz FDDHSKDPMXSIKM-RNCFNFMXSA-N 0 0 331.243 3.266 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCC3(CCC3)O2)c1 ZINC000927157017 1327897408 /nfs/dbraw/zinc/89/74/08/1327897408.db2.gz COEDVPYOFFGMAT-DZGCQCFKSA-N 0 0 348.443 3.253 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC000927293398 1327960221 /nfs/dbraw/zinc/96/02/21/1327960221.db2.gz LAXNQPAFQZIXQO-BEFAXECRSA-N 0 0 334.379 3.263 10 10 EGCERN O=C(NC[C@@]1(c2ccccc2)CCCO1)N1Cc2cccc(O)c2C1 ZINC000927679766 1328103199 /nfs/dbraw/zinc/10/31/99/1328103199.db2.gz GUERIHGGIVCALW-HXUWFJFHSA-N 0 0 338.407 3.123 10 10 EGCERN CCc1onc(C)c1CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000927825562 1328145064 /nfs/dbraw/zinc/14/50/64/1328145064.db2.gz HCDCOUWDJZBMRH-UHFFFAOYSA-N 0 0 344.459 3.343 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](Cc2nccs2)C1 ZINC000928271999 1328269054 /nfs/dbraw/zinc/26/90/54/1328269054.db2.gz IOURMZSIYKXURI-KXQLTZBTSA-N 0 0 344.436 3.049 10 10 EGCERN COc1ccccc1C[C@H](C)CC(=O)NCc1c(O)cccc1F ZINC000928710385 1328405871 /nfs/dbraw/zinc/40/58/71/1328405871.db2.gz CQILNBWTDUDISE-ZDUSSCGKSA-N 0 0 331.387 3.425 10 10 EGCERN CC(=O)c1ccc(OCCCC(=O)NCc2c(O)cccc2F)cc1 ZINC000928711056 1328406435 /nfs/dbraw/zinc/40/64/35/1328406435.db2.gz ZKZAAJKRPGOWSN-UHFFFAOYSA-N 0 0 345.370 3.209 10 10 EGCERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC000928712018 1328407370 /nfs/dbraw/zinc/40/73/70/1328407370.db2.gz NCNAWNUYAXTUBS-RISCZKNCSA-N 0 0 342.370 3.056 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000861379301 1329414719 /nfs/dbraw/zinc/41/47/19/1329414719.db2.gz ITEBPNMMVRMPKM-CEQLMSFQSA-N 0 0 336.435 3.364 10 10 EGCERN CC(C)[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1cccnc1 ZINC000862025939 1329455895 /nfs/dbraw/zinc/45/58/95/1329455895.db2.gz CDKMRRZFZDRTAI-QGZVFWFLSA-N 0 0 335.407 3.391 10 10 EGCERN Cc1cc(C(=O)NCc2ccc3cccnc3c2O)nn1C(C)(C)C ZINC000862028486 1329456007 /nfs/dbraw/zinc/45/60/07/1329456007.db2.gz AUKIUBYOBHJYLO-UHFFFAOYSA-N 0 0 338.411 3.130 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)C(F)(F)F)cc1 ZINC000862129660 1329460825 /nfs/dbraw/zinc/46/08/25/1329460825.db2.gz SWBVIEYOMAUMEZ-LBPRGKRZSA-N 0 0 332.366 3.178 10 10 EGCERN CC(C)n1ncc(C(=O)NCc2cc(Cl)ccc2O)c1Cl ZINC000862131250 1329460866 /nfs/dbraw/zinc/46/08/66/1329460866.db2.gz VVFUJVLPVCFDSN-UHFFFAOYSA-N 0 0 328.199 3.406 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000862435207 1329486700 /nfs/dbraw/zinc/48/67/00/1329486700.db2.gz RHOUQCBSFCGIFN-LBPRGKRZSA-N 0 0 337.704 3.274 10 10 EGCERN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1[C@@H]1CCCOC1 ZINC000862753765 1329506434 /nfs/dbraw/zinc/50/64/34/1329506434.db2.gz GSOJENPNTRNUHV-QGZVFWFLSA-N 0 0 342.439 3.400 10 10 EGCERN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1[C@H]1CCOC1 ZINC000862754469 1329506529 /nfs/dbraw/zinc/50/65/29/1329506529.db2.gz YUFSHPGVUFDVED-INIZCTEOSA-N 0 0 328.412 3.010 10 10 EGCERN CCOCCOc1ccccc1C(=O)NCc1cc(C)ccc1O ZINC000862758485 1329506996 /nfs/dbraw/zinc/50/69/96/1329506996.db2.gz AWSYRFNBJCPVND-UHFFFAOYSA-N 0 0 329.396 3.046 10 10 EGCERN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC000863255451 1329539815 /nfs/dbraw/zinc/53/98/15/1329539815.db2.gz VTTUVCQKJRPFOG-AWEZNQCLSA-N 0 0 349.434 3.441 10 10 EGCERN CCO[C@@H](CS(=O)(=O)Nc1cc(C(C)C)c(O)cc1C)C1CC1 ZINC000863406008 1329552550 /nfs/dbraw/zinc/55/25/50/1329552550.db2.gz QDCDQKFLDVCBQK-KRWDZBQOSA-N 0 0 341.473 3.381 10 10 EGCERN Cc1cc(CN2C(=O)N[C@H](CCF)C2=O)c(C)n1-c1cccc(C)c1 ZINC000863532592 1329561154 /nfs/dbraw/zinc/56/11/54/1329561154.db2.gz JYVIPMKXSUJIML-QGZVFWFLSA-N 0 0 343.402 3.183 10 10 EGCERN Cc1cc(CCNC(=O)[C@@H](C)c2cncnc2)c(C)n1-c1ccccc1 ZINC000863834625 1329583964 /nfs/dbraw/zinc/58/39/64/1329583964.db2.gz LHCGDDLOVXTQCV-INIZCTEOSA-N 0 0 348.450 3.347 10 10 EGCERN O=C(c1c(F)ccc(O)c1O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863941397 1329590092 /nfs/dbraw/zinc/59/00/92/1329590092.db2.gz ZIYHBXTZGAFGQS-MELADBBJSA-N 0 0 327.355 3.113 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1c(Cl)n[nH]c1C1CC1 ZINC000864863937 1329647108 /nfs/dbraw/zinc/64/71/08/1329647108.db2.gz SBLSWQBQXYGUDH-UHFFFAOYSA-N 0 0 344.846 3.471 10 10 EGCERN COC(=O)c1cnc(S[C@H](C(=O)OC(C)(C)C)C2CC2)s1 ZINC000865368855 1329689419 /nfs/dbraw/zinc/68/94/19/1329689419.db2.gz FLJAVBQPOIDDAU-JTQLQIEISA-N 0 0 329.443 3.142 10 10 EGCERN C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)O1 ZINC000865604091 1329718843 /nfs/dbraw/zinc/71/88/43/1329718843.db2.gz REMQQLVWHDVKDN-TXPKVOOTSA-N 0 0 330.472 3.353 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)O1 ZINC000865604089 1329718886 /nfs/dbraw/zinc/71/88/86/1329718886.db2.gz REMQQLVWHDVKDN-GPMSIDNRSA-N 0 0 330.472 3.353 10 10 EGCERN O=C(NCCCSc1nccs1)C1([C@@H]2CCCCO2)CCC1 ZINC000865782953 1329738119 /nfs/dbraw/zinc/73/81/19/1329738119.db2.gz IDLYBAFRGPKPDR-ZDUSSCGKSA-N 0 0 340.514 3.481 10 10 EGCERN Oc1cccc2c1CN(c1nc(-c3ccccn3)nc3c1CCC3)C2 ZINC000866119881 1330067516 /nfs/dbraw/zinc/06/75/16/1330067516.db2.gz SXCDXNRFZOSLPW-UHFFFAOYSA-N 0 0 330.391 3.253 10 10 EGCERN COc1ccc(CNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)c(O)c1 ZINC000935771704 1330082138 /nfs/dbraw/zinc/08/21/38/1330082138.db2.gz ZLYMTXQBTZTZFJ-SJORKVTESA-N 0 0 325.408 3.286 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)[C@H](C)O1 ZINC000866595962 1330131040 /nfs/dbraw/zinc/13/10/40/1330131040.db2.gz YIUWJICBANVBKW-JKIFEVAISA-N 0 0 329.396 3.328 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@H](C)O1 ZINC000868433011 1330280177 /nfs/dbraw/zinc/28/01/77/1330280177.db2.gz HSCKOGOVMSXSSA-HZSPNIEDSA-N 0 0 336.395 3.148 10 10 EGCERN C[C@@H](NC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)c1ccc(N(C)C)cc1 ZINC000868514463 1330288797 /nfs/dbraw/zinc/28/87/97/1330288797.db2.gz CNTGBNWUNUJBLK-RNJTYBCJSA-N 0 0 345.487 3.005 10 10 EGCERN C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1O ZINC000868676605 1330313156 /nfs/dbraw/zinc/31/31/56/1330313156.db2.gz ZKWAPSZPEJGBPP-DHSIGJKJSA-N 0 0 341.411 3.068 10 10 EGCERN C[C@H](NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1O ZINC000868773675 1330339625 /nfs/dbraw/zinc/33/96/25/1330339625.db2.gz MSGWFTPSYXBNDZ-XIRDDKMYSA-N 0 0 340.423 3.325 10 10 EGCERN Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc(C)n1 ZINC001323990461 1387505210 /nfs/dbraw/zinc/50/52/10/1387505210.db2.gz MBMPFYJPSFNEOI-UHFFFAOYSA-N 0 0 345.786 3.026 10 10 EGCERN CC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H](O)C(F)F ZINC001324779116 1387769738 /nfs/dbraw/zinc/76/97/38/1387769738.db2.gz WBLSEDQLWWBTAO-HZPDHXFCSA-N 0 0 336.382 3.229 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])c1 ZINC001118864990 1371243540 /nfs/dbraw/zinc/24/35/40/1371243540.db2.gz VZBQIKZHVNSHFL-LLXBWVHRSA-N 0 0 348.424 3.255 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCC[C@H](F)C1 ZINC001326299054 1388145683 /nfs/dbraw/zinc/14/56/83/1388145683.db2.gz MOSSGSTYCGFJGH-RYUDHWBXSA-N 0 0 345.212 3.235 10 10 EGCERN C[C@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccc(N(C)C)cc1 ZINC001123637664 1372534837 /nfs/dbraw/zinc/53/48/37/1372534837.db2.gz JKDAESKVLUYGBG-YOEHRIQHSA-N 0 0 331.460 3.215 10 10 EGCERN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cc(F)ccc1N(C)C ZINC001123787499 1372589102 /nfs/dbraw/zinc/58/91/02/1372589102.db2.gz MXVPLXFPPNAESF-LBPRGKRZSA-N 0 0 343.402 3.384 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)Cc2ccc(C)c(C)c2)cc1 ZINC001130543857 1373557796 /nfs/dbraw/zinc/55/77/96/1373557796.db2.gz FNFTWHSCQCEYHL-UHFFFAOYSA-N 0 0 340.467 3.449 10 10 EGCERN CC(=O)c1cccc(CNC(=O)NCc2cccc(Cl)c2O)c1 ZINC001230561698 1376079606 /nfs/dbraw/zinc/07/96/06/1376079606.db2.gz APVDFXLKCLGQTB-UHFFFAOYSA-N 0 0 332.787 3.248 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC001136348281 1377380539 /nfs/dbraw/zinc/38/05/39/1377380539.db2.gz DLHFHLLXWDBNSI-INIZCTEOSA-N 0 0 329.371 3.013 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2nccnc2SC)cc1F ZINC001136730484 1377418419 /nfs/dbraw/zinc/41/84/19/1377418419.db2.gz QWBKYYKFDHSPGS-UHFFFAOYSA-N 0 0 348.447 3.114 10 10 EGCERN CCCN1CCN(C(=O)/C=C/c2cncc(O)c2)c2ccc(F)cc21 ZINC001138217427 1377690328 /nfs/dbraw/zinc/69/03/28/1377690328.db2.gz HFFJHUOTQMZUHH-ZZXKWVIFSA-N 0 0 341.386 3.203 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2cc(C)cn2c1 ZINC001140198498 1378030518 /nfs/dbraw/zinc/03/05/18/1378030518.db2.gz GCSAATKOCGRPBE-UHFFFAOYSA-N 0 0 329.396 3.369 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccccn2)cc1 ZINC001141298683 1378294547 /nfs/dbraw/zinc/29/45/47/1378294547.db2.gz BZRBNTKTDCBVAP-UHFFFAOYSA-N 0 0 333.391 3.483 10 10 EGCERN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H](C)C(C)(C)C ZINC001142234843 1378423078 /nfs/dbraw/zinc/42/30/78/1378423078.db2.gz FKZILNCSTRTLQX-HOTGVXAUSA-N 0 0 332.488 3.458 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCOC(C)(C)C ZINC001142516949 1378452125 /nfs/dbraw/zinc/45/21/25/1378452125.db2.gz VYBMHRZRRMNPMC-UHFFFAOYSA-N 0 0 342.439 3.452 10 10 EGCERN COc1cccc2c1OCC(C(=O)NCc1cc(Cl)ccc1O)=C2 ZINC001146231219 1378799838 /nfs/dbraw/zinc/79/98/38/1378799838.db2.gz CNMIEIPCOZOMMC-UHFFFAOYSA-N 0 0 345.782 3.146 10 10 EGCERN C=CC(=O)Nc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC001150544025 1379564772 /nfs/dbraw/zinc/56/47/72/1379564772.db2.gz XOPCEIFAWFOZHO-GFCCVEGCSA-N 0 0 340.379 3.016 10 10 EGCERN CC[C@H](C)c1ccccc1OCC(=O)NCc1cc(O)ccc1O ZINC001153879324 1380148424 /nfs/dbraw/zinc/14/84/24/1380148424.db2.gz KCRXFHOKWYQILR-ZDUSSCGKSA-N 0 0 329.396 3.307 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1cnc(Cl)cc1C(F)(F)F ZINC001153884669 1380149503 /nfs/dbraw/zinc/14/95/03/1380149503.db2.gz FGOUJQJVDHZKOE-UHFFFAOYSA-N 0 0 346.692 3.095 10 10 EGCERN Cc1cc(C)c2cc(C(=O)NCc3c(O)cccc3O)sc2n1 ZINC001156886290 1380717337 /nfs/dbraw/zinc/71/73/37/1380717337.db2.gz XRGBMZIJHMFDOJ-UHFFFAOYSA-N 0 0 328.393 3.254 10 10 EGCERN CSCCCN(C(=O)/C=C\c1cncc(F)c1)c1cccnc1 ZINC001287236313 1381151925 /nfs/dbraw/zinc/15/19/25/1381151925.db2.gz RYMXMBZZTRBZJF-WAYWQWQTSA-N 0 0 331.416 3.415 10 10 EGCERN Cc1ccc(C(=O)NC2(C(=O)OC(C)(C)C)CCCCC2)c(O)c1O ZINC001158530529 1381284146 /nfs/dbraw/zinc/28/41/46/1381284146.db2.gz HORQSZHCARLHFW-UHFFFAOYSA-N 0 0 349.427 3.181 10 10 EGCERN COC(=O)c1cc(C)cc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001159041714 1381537176 /nfs/dbraw/zinc/53/71/76/1381537176.db2.gz ZELTVDMPCDJJLU-UHFFFAOYSA-N 0 0 333.771 3.071 10 10 EGCERN Cc1cc(CC(=O)Nc2ccn(CCF)n2)c(C)n1-c1ccccc1 ZINC001288049158 1381540997 /nfs/dbraw/zinc/54/09/97/1381540997.db2.gz AHEWYTIHIFAYFI-UHFFFAOYSA-N 0 0 340.402 3.441 10 10 EGCERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001160557243 1382140962 /nfs/dbraw/zinc/14/09/62/1382140962.db2.gz UGXUAFWSBOFCEW-XBXARRHUSA-N 0 0 344.323 3.057 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/[C@H]1COC(C)(C)O1 ZINC001291849086 1382158631 /nfs/dbraw/zinc/15/86/31/1382158631.db2.gz AJMSUHRJYYJWJD-DXRVJIQQSA-N 0 0 346.471 3.197 10 10 EGCERN Cc1ccc(C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)c(O)c1O ZINC001160910236 1382231081 /nfs/dbraw/zinc/23/10/81/1382231081.db2.gz YVJGSPOUCNHEAW-UHFFFAOYSA-N 0 0 345.305 3.327 10 10 EGCERN COc1nccc2c(NC(=O)/C=C/c3ccc(O)c(O)c3)cccc12 ZINC001161199726 1382338540 /nfs/dbraw/zinc/33/85/40/1382338540.db2.gz AFPIUIAMAHVTRG-SOFGYWHQSA-N 0 0 336.347 3.307 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(SC2CC2)cc1 ZINC001294908193 1382522215 /nfs/dbraw/zinc/52/22/15/1382522215.db2.gz DCWQVSIBTDFFNK-UHFFFAOYSA-N 0 0 329.421 3.325 10 10 EGCERN COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CCC2 ZINC001295856439 1382844820 /nfs/dbraw/zinc/84/48/20/1382844820.db2.gz SBYCOCKQPKWBRS-DKISHCGFSA-N 0 0 339.391 3.313 10 10 EGCERN CC(C)CCOc1ccccc1CNC(=O)c1cccc(O)c1O ZINC001296357436 1382975423 /nfs/dbraw/zinc/97/54/23/1382975423.db2.gz BJZABOHAVKWFNV-UHFFFAOYSA-N 0 0 329.396 3.453 10 10 EGCERN C[C@H](Cc1cccc(F)c1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001299160413 1383478204 /nfs/dbraw/zinc/47/82/04/1383478204.db2.gz JMQKSCPWFCYFAX-BUUCAEBMSA-N 0 0 329.371 3.340 10 10 EGCERN CO[C@@H](C)Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001299560775 1383568755 /nfs/dbraw/zinc/56/87/55/1383568755.db2.gz WEMAMRGNZLNCJB-AWEZNQCLSA-N 0 0 344.459 3.313 10 10 EGCERN CNc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1F ZINC001299724089 1383623779 /nfs/dbraw/zinc/62/37/79/1383623779.db2.gz BLNIQDZCPHSYQM-UHFFFAOYSA-N 0 0 325.343 3.051 10 10 EGCERN O=C(Cc1cncc2ccccc21)NCc1ccc2cccnc2c1O ZINC001299724086 1383623849 /nfs/dbraw/zinc/62/38/49/1383623849.db2.gz BLFQTAGFHJGLQH-UHFFFAOYSA-N 0 0 343.386 3.348 10 10 EGCERN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1O ZINC001299788517 1383628606 /nfs/dbraw/zinc/62/86/06/1383628606.db2.gz SCXMYIGWUPDVOW-UHFFFAOYSA-N 0 0 328.387 3.452 10 10 EGCERN C[C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccccc1O ZINC001302530672 1383756957 /nfs/dbraw/zinc/75/69/57/1383756957.db2.gz VVIISSCFUHCUJL-CYBMUJFWSA-N 0 0 335.363 3.466 10 10 EGCERN O=C(Cc1cc2cc(Cl)ccc2[nH]1)NCc1cc(O)ccc1O ZINC001303225728 1383788679 /nfs/dbraw/zinc/78/86/79/1383788679.db2.gz ONLQPPJMGDQYCX-UHFFFAOYSA-N 0 0 330.771 3.091 10 10 EGCERN C[C@@]12CSC[C@@H]1CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC001304650839 1383852261 /nfs/dbraw/zinc/85/22/61/1383852261.db2.gz VXFMWFZMHYXYHI-MGPLVRAMSA-N 0 0 335.450 3.138 10 10 EGCERN C[C@](O)(CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C1CC1 ZINC001306964728 1383927050 /nfs/dbraw/zinc/92/70/50/1383927050.db2.gz OEWQDSHSKKZKSR-IBGZPJMESA-N 0 0 340.379 3.399 10 10 EGCERN COC(=O)c1cc(OCc2ccc3nccnc3c2)ccc1N(C)C ZINC001307388718 1383981351 /nfs/dbraw/zinc/98/13/51/1383981351.db2.gz IBXASVYHFABZKN-UHFFFAOYSA-N 0 0 337.379 3.061 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2Cc1ncccc1Br ZINC001168858653 1384036097 /nfs/dbraw/zinc/03/60/97/1384036097.db2.gz DHTGRBZOXRCTPA-UHFFFAOYSA-N 0 0 348.244 3.309 10 10 EGCERN CCC[C@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001312758482 1384369126 /nfs/dbraw/zinc/36/91/26/1384369126.db2.gz OITVTJNNMIPSFU-CRAIPNDOSA-N 0 0 335.492 3.106 10 10 EGCERN C[C@H]1CCC[C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001313028598 1384388482 /nfs/dbraw/zinc/38/84/82/1384388482.db2.gz JTJXLTPHWNKCNL-QFBILLFUSA-N 0 0 345.487 3.386 10 10 EGCERN Cc1cc(CNC(=O)c2ccc(C(N)=O)cc2)c(C)n1-c1ccccc1 ZINC001170858012 1384400491 /nfs/dbraw/zinc/40/04/91/1384400491.db2.gz LUVMWHVCGKIPRF-UHFFFAOYSA-N 0 0 347.418 3.123 10 10 EGCERN C[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccccc1O ZINC001171716905 1384612339 /nfs/dbraw/zinc/61/23/39/1384612339.db2.gz DSBIMGKYWHCMQC-GFCCVEGCSA-N 0 0 342.420 3.396 10 10 EGCERN C[C@H](NC(=O)c1cnc(-c2cccnc2)s1)c1ccccc1O ZINC001171729393 1384616422 /nfs/dbraw/zinc/61/64/22/1384616422.db2.gz BNHRXQPERLWRRG-NSHDSACASA-N 0 0 325.393 3.402 10 10 EGCERN Cc1c(Br)scc1C(=O)NCc1cc(O)ccc1O ZINC001176748394 1385681460 /nfs/dbraw/zinc/68/14/60/1385681460.db2.gz RDWSCKHTSDBWMG-UHFFFAOYSA-N 0 0 342.214 3.160 10 10 EGCERN COc1ccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)C2CCC2)cc1 ZINC001179762583 1386575161 /nfs/dbraw/zinc/57/51/61/1386575161.db2.gz PHCSXQXSDNUAAM-FQEVSTJZSA-N 0 0 341.407 3.307 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CO)c(C)n1-c1ccc(F)cc1 ZINC001181496904 1387005422 /nfs/dbraw/zinc/00/54/22/1387005422.db2.gz LPJWWLPKZALZCI-BFUOFWGJSA-N 0 0 344.430 3.466 10 10 EGCERN COC(=O)c1c(CN(C)CCC(F)(F)F)c2cc(F)ccc2n1C ZINC001331989264 1389935613 /nfs/dbraw/zinc/93/56/13/1389935613.db2.gz JNJUUCYBGGZKHW-UHFFFAOYSA-N 0 0 346.324 3.488 10 10 EGCERN Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001332022408 1389949495 /nfs/dbraw/zinc/94/94/95/1389949495.db2.gz WZAJCXKORYKVMT-CQSZACIVSA-N 0 0 332.350 3.262 10 10 EGCERN CN(C)c1cc(F)c(CNCc2cn(C)nc2C(F)(F)F)cc1F ZINC001334891570 1390614184 /nfs/dbraw/zinc/61/41/84/1390614184.db2.gz XSJDDDQJGSRJTL-UHFFFAOYSA-N 0 0 348.319 3.073 10 10 EGCERN CN(C)c1cc(F)c(CNC2(C(=O)Nc3ccccc3)CC2)cc1F ZINC001334902256 1390616692 /nfs/dbraw/zinc/61/66/92/1390616692.db2.gz LACNEEBGXSPGMK-UHFFFAOYSA-N 0 0 345.393 3.292 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001346211117 1390915545 /nfs/dbraw/zinc/91/55/45/1390915545.db2.gz RVZDELZRRIRGND-RBUKOAKNSA-N 0 0 345.487 3.304 10 10 EGCERN O=C(NCCCSc1nccs1)NC[C@@H]1OCc2ccccc21 ZINC001346249307 1390918122 /nfs/dbraw/zinc/91/81/22/1390918122.db2.gz BYXNPTZAIZLWBW-AWEZNQCLSA-N 0 0 349.481 3.196 10 10 EGCERN O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001347235916 1391035463 /nfs/dbraw/zinc/03/54/63/1391035463.db2.gz ZZGGANIZPOOHPL-UONOGXRCSA-N 0 0 349.333 3.119 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001687575365 1396412934 /nfs/dbraw/zinc/41/29/34/1396412934.db2.gz NUAARQZZWSQHGE-GFCCVEGCSA-N 0 0 329.356 3.169 10 10 EGCERN CCOc1ccc(CCNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001687774501 1396488636 /nfs/dbraw/zinc/48/86/36/1396488636.db2.gz KWGCPEFXJAMNCF-UHFFFAOYSA-N 0 0 348.830 3.486 10 10 EGCERN CC(C)c1nnc(N2CC=CCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001706289778 1417146361 /nfs/dbraw/zinc/14/63/61/1417146361.db2.gz JROWMTTVRAMDPI-UHFFFAOYSA-N 0 0 343.450 3.421 10 10 EGCERN CCc1nnc(N2C[C@@H]3CCC[C@H]32)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709068411 1417420541 /nfs/dbraw/zinc/42/05/41/1417420541.db2.gz YAXUYEFHEKNHDI-GOEBONIOSA-N 0 0 343.450 3.083 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CCSC(C)C ZINC001744549006 1439663926 /nfs/dbraw/zinc/66/39/26/1439663926.db2.gz NBMXOOWQZVXHQY-UHFFFAOYSA-N 0 0 334.489 3.324 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCS1 ZINC001764722192 1441391303 /nfs/dbraw/zinc/39/13/03/1441391303.db2.gz ANQZDPIUNABKEG-AWEZNQCLSA-N 0 0 332.473 3.078 10 10 EGCERN CC(C)CC(=O)NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000003079111 209961299 /nfs/dbraw/zinc/96/12/99/209961299.db2.gz MTKCDFVNYVHHPJ-WQLSENKSSA-N 0 0 338.429 3.104 10 10 EGCERN CCn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccco2)cn1 ZINC000035678550 213044694 /nfs/dbraw/zinc/04/46/94/213044694.db2.gz OSZGRZHIRDELLS-WJDWOHSUSA-N 0 0 332.363 3.331 10 10 EGCERN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(N)cc1 ZINC000022211825 212282556 /nfs/dbraw/zinc/28/25/56/212282556.db2.gz OOXNHDGHAALRJY-JTQLQIEISA-N 0 0 335.201 3.437 10 10 EGCERN COc1ccc(N2CCC(N(C)C(=O)CCOCC(C)C)CC2)cc1 ZINC000069462962 258063397 /nfs/dbraw/zinc/06/33/97/258063397.db2.gz HQBIUPGOOPCNFZ-UHFFFAOYSA-N 0 0 348.487 3.185 10 10 EGCERN CC(=O)O[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1c1cc(C)ccc1O ZINC000006426431 452943756 /nfs/dbraw/zinc/94/37/56/452943756.db2.gz BJIJSSPSGFSVOC-UYAOXDASSA-N 0 0 339.391 3.106 10 10 EGCERN COc1ccccc1[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000031726302 453852642 /nfs/dbraw/zinc/85/26/42/453852642.db2.gz ZEOABKWGPNZOGX-AWEZNQCLSA-N 0 0 327.428 3.322 10 10 EGCERN O=C1N=C(N2CCCCCC2)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000033299757 453913842 /nfs/dbraw/zinc/91/38/42/453913842.db2.gz PFEIPBUFIZKDBX-KAMYIIQDSA-N 0 0 331.397 3.441 10 10 EGCERN Cc1cc(O)c(CN(C)Cc2ccc(Br)o2)cc1O ZINC000095996997 454257728 /nfs/dbraw/zinc/25/77/28/454257728.db2.gz RNFYIFHRKUHPHZ-UHFFFAOYSA-N 0 0 326.190 3.394 10 10 EGCERN C/C=C/CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000629034200 460630690 /nfs/dbraw/zinc/63/06/90/460630690.db2.gz SKVSWTGKELSMIV-SNAWJCMRSA-N 0 0 325.456 3.100 10 10 EGCERN COC(=O)C1=CN(c2cc(F)ccc2C)c2ccccc2S1(=O)=O ZINC000064979163 454521855 /nfs/dbraw/zinc/52/18/55/454521855.db2.gz XHHBXINMMUCMJT-UHFFFAOYSA-N 0 0 347.367 3.074 10 10 EGCERN CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000175506669 455455284 /nfs/dbraw/zinc/45/52/84/455455284.db2.gz OSTVTSPOOWLYJL-DZGCQCFKSA-N 0 0 348.443 3.044 10 10 EGCERN COc1cc(O)c(CN2CCO[C@H](c3cccs3)C2)cc1OC ZINC000160412941 455455946 /nfs/dbraw/zinc/45/59/46/455455946.db2.gz WNIGEUFZHBTTAZ-INIZCTEOSA-N 0 0 335.425 3.044 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c(C)n1-c1ccccn1 ZINC000246576191 455509147 /nfs/dbraw/zinc/50/91/47/455509147.db2.gz ASGBNUDQHIVHMQ-JQHSSLGASA-N 0 0 339.439 3.177 10 10 EGCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000268075042 455589260 /nfs/dbraw/zinc/58/92/60/455589260.db2.gz BJQFELNUFPEWHB-UHFFFAOYSA-N 0 0 348.805 3.246 10 10 EGCERN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](c2ccccc2)CO1 ZINC000247504087 455614342 /nfs/dbraw/zinc/61/43/42/455614342.db2.gz XSNAIEWSBTXUQT-XJKSGUPXSA-N 0 0 327.380 3.083 10 10 EGCERN C[C@H](C1CCCC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000278043022 455742508 /nfs/dbraw/zinc/74/25/08/455742508.db2.gz WDHIDCBEXOQJLJ-LLVKDONJSA-N 0 0 336.819 3.389 10 10 EGCERN COc1ccc([C@H](CCO)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000293547673 455790055 /nfs/dbraw/zinc/79/00/55/455790055.db2.gz GQDNTVINVPJVTP-INIZCTEOSA-N 0 0 339.794 3.407 10 10 EGCERN Nc1c(Cl)cc(N2C(=O)[C@@H]3[C@H]4CCC[C@H]4CN3C2=O)cc1Cl ZINC000278274025 455803432 /nfs/dbraw/zinc/80/34/32/455803432.db2.gz YRTDOCCNGIODEQ-XICLSFFLSA-N 0 0 340.210 3.143 10 10 EGCERN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295384769 455847922 /nfs/dbraw/zinc/84/79/22/455847922.db2.gz PHODFIPPFQIZJE-LBPRGKRZSA-N 0 0 342.842 3.313 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc2[nH]cnc21 ZINC000272256306 455893520 /nfs/dbraw/zinc/89/35/20/455893520.db2.gz PTQARFGNUQBWBQ-UHFFFAOYSA-N 0 0 349.438 3.220 10 10 EGCERN COc1cc(N(C)Cc2cccc(O)c2OC)cc(OC)c1OC ZINC000272478483 455964931 /nfs/dbraw/zinc/96/49/31/455964931.db2.gz BOUMDWMUGXVHHR-UHFFFAOYSA-N 0 0 333.384 3.063 10 10 EGCERN CN(Cc1ncc(C2CC2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000270598357 455993619 /nfs/dbraw/zinc/99/36/19/455993619.db2.gz LJYLBRJRYDOXIU-UHFFFAOYSA-N 0 0 327.428 3.021 10 10 EGCERN CC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000286222819 456002802 /nfs/dbraw/zinc/00/28/02/456002802.db2.gz SMDSSULZTDWINL-QZTJIDSGSA-N 0 0 344.430 3.272 10 10 EGCERN CCN(C(=O)c1cccc(O)c1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000296803460 456041693 /nfs/dbraw/zinc/04/16/93/456041693.db2.gz FGEQCILSIRYBRT-ZDUSSCGKSA-N 0 0 329.396 3.200 10 10 EGCERN Cn1ccc(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)n1 ZINC000270856445 456053663 /nfs/dbraw/zinc/05/36/63/456053663.db2.gz YXPGPHMBTMEZIW-UHFFFAOYSA-N 0 0 341.436 3.460 10 10 EGCERN CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287582992 456072626 /nfs/dbraw/zinc/07/26/26/456072626.db2.gz HMZDMFWAWCKEAP-GXFFZTMASA-N 0 0 331.243 3.361 10 10 EGCERN CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)ccc1O ZINC000229549224 456129091 /nfs/dbraw/zinc/12/90/91/456129091.db2.gz OQRGPDDYLOUEDD-KOLCDFICSA-N 0 0 342.155 3.119 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(F)ccc2OC)c1 ZINC000275287229 456272404 /nfs/dbraw/zinc/27/24/04/456272404.db2.gz FSFCEHJNRPYRLJ-LLVKDONJSA-N 0 0 333.359 3.177 10 10 EGCERN COc1cc2c(cc1F)ncnc2N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000302498360 456350538 /nfs/dbraw/zinc/35/05/38/456350538.db2.gz UVNJHXCPGCMZAN-JTQLQIEISA-N 0 0 343.358 3.232 10 10 EGCERN CCN(CC)c1ccc(CN[C@@H](C(=O)OC)c2cccc(O)c2)cc1 ZINC000276770670 456574882 /nfs/dbraw/zinc/57/48/82/456574882.db2.gz ORICXMWNDVXGOA-LJQANCHMSA-N 0 0 342.439 3.242 10 10 EGCERN OC[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2ccccc2)cc1O ZINC000364843800 457703627 /nfs/dbraw/zinc/70/36/27/457703627.db2.gz METBRMBJVPVSOP-INIZCTEOSA-N 0 0 349.377 3.173 10 10 EGCERN Cn1cc(-c2c[nH]cc2C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cn1 ZINC000427809543 458038269 /nfs/dbraw/zinc/03/82/69/458038269.db2.gz ACWMBOONZXOTHY-GFCCVEGCSA-N 0 0 346.390 3.136 10 10 EGCERN Cn1ncc2c1nccc2N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000376450265 458303910 /nfs/dbraw/zinc/30/39/10/458303910.db2.gz PVFYXDRLAYCQFZ-UHFFFAOYSA-N 0 0 325.803 3.310 10 10 EGCERN COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000527939330 459777366 /nfs/dbraw/zinc/77/73/66/459777366.db2.gz NVQYJTBKXIUFHA-YGRLFVJLSA-N 0 0 329.322 3.052 10 10 EGCERN COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000527967284 459784249 /nfs/dbraw/zinc/78/42/49/459784249.db2.gz JBDXPMAZZUUXMX-YOEHRIQHSA-N 0 0 344.430 3.465 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000728979220 574790711 /nfs/dbraw/zinc/79/07/11/574790711.db2.gz CWHJZIYPXMKNKD-PIGZYNQJSA-N 0 0 329.421 3.295 10 10 EGCERN C[C@@H]1CCCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000734008601 575423645 /nfs/dbraw/zinc/42/36/45/575423645.db2.gz HEBIVDMTRMDBMF-OAHLLOKOSA-N 0 0 349.450 3.136 10 10 EGCERN c1ncn(CCN2CCCc3cc(OCc4ccccc4)ccc32)n1 ZINC000734485447 575492817 /nfs/dbraw/zinc/49/28/17/575492817.db2.gz ISKKEVWBLDPYLU-UHFFFAOYSA-N 0 0 334.423 3.310 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc1 ZINC000735832318 575720522 /nfs/dbraw/zinc/72/05/22/575720522.db2.gz OZYFGKKMZHTTDD-HNNXBMFYSA-N 0 0 340.345 3.137 10 10 EGCERN COc1ccc2c(c1)CCCN2CC(=O)Nc1nc2c(s1)CCC2 ZINC000736307797 575931537 /nfs/dbraw/zinc/93/15/37/575931537.db2.gz CUILLXYDLIFMMX-UHFFFAOYSA-N 0 0 343.452 3.032 10 10 EGCERN C[C@H]1CC[C@H]([NH3+])CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133127 1298234631 /nfs/dbraw/zinc/23/46/31/1298234631.db2.gz HQEBFYIJNUTQDS-KWQFWETISA-N 0 0 333.657 3.120 10 10 EGCERN COc1ccc(C=C2SC(NCc3ccccc3)=NC2=O)cc1O ZINC000096663300 1292952917 /nfs/dbraw/zinc/95/29/17/1292952917.db2.gz QWDFGSPQYRHEMY-MHWRWJLKSA-N 0 0 340.404 3.161 10 10 EGCERN CCN(CC)c1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000179273015 1294783375 /nfs/dbraw/zinc/78/33/75/1294783375.db2.gz ZYAQLTKBFSHVGL-UHFFFAOYSA-N 0 0 340.387 3.096 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2Cc1noc(-c2ccccc2)n1 ZINC000181133514 1294940868 /nfs/dbraw/zinc/94/08/68/1294940868.db2.gz JWPASYKMTRIXTN-UHFFFAOYSA-N 0 0 336.395 3.202 10 10 EGCERN COc1ccc(CNC(=O)CNc2ccccc2NC(C)C)cc1 ZINC000871846787 1296564500 /nfs/dbraw/zinc/56/45/00/1296564500.db2.gz AEGZCXHKAJMUHP-UHFFFAOYSA-N 0 0 327.428 3.244 10 10 EGCERN Cn1c(-c2ccccc2)cnc1SC[C@H](O)C[C@](C)(O)C1CC1 ZINC000871967732 1296635459 /nfs/dbraw/zinc/63/54/59/1296635459.db2.gz FGUUQKFELREVLB-QAPCUYQASA-N 0 0 332.469 3.091 10 10 EGCERN COc1ccc(N2CCC(NC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000878633394 1300118328 /nfs/dbraw/zinc/11/83/28/1300118328.db2.gz SFXMBKYRVSMPRV-KXBFYZLASA-N 0 0 328.456 3.216 10 10 EGCERN CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000880750330 1301255230 /nfs/dbraw/zinc/25/52/30/1301255230.db2.gz JYHIICUEZKVWQO-UWJYYQICSA-N 0 0 344.499 3.480 10 10 EGCERN COC(=O)c1c(CN2CC3(CC(F)C3)C2)c2cc(F)ccc2n1C ZINC000894975478 1309140750 /nfs/dbraw/zinc/14/07/50/1309140750.db2.gz AKRSJIZTGFFEIV-UHFFFAOYSA-N 0 0 334.366 3.038 10 10 EGCERN O=C(C[C@H]1CCC2(CCC2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000895711679 1309481995 /nfs/dbraw/zinc/48/19/95/1309481995.db2.gz UMSZKCMPOYFWNQ-GOSISDBHSA-N 0 0 328.456 3.395 10 10 EGCERN C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)cc(F)c3[O-])O2)[C@H]1C ZINC000895819585 1309535045 /nfs/dbraw/zinc/53/50/45/1309535045.db2.gz BLMTXOLZIODJTF-PMOCNGQXSA-N 0 0 343.826 3.247 10 10 EGCERN C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cccc(Cl)c3[O-])O2)[C@H]1C ZINC000895819513 1309535168 /nfs/dbraw/zinc/53/51/68/1309535168.db2.gz AETDRRGXLXBQLA-NOSGZIGASA-N 0 0 325.836 3.108 10 10 EGCERN C[C@H]1C[C@H]1c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 ZINC000895991586 1309635906 /nfs/dbraw/zinc/63/59/06/1309635906.db2.gz WESXSUFLXAAUGW-IONNQARKSA-N 0 0 329.381 3.411 10 10 EGCERN CC(C)OC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896251431 1309769429 /nfs/dbraw/zinc/76/94/29/1309769429.db2.gz NNTIKBCQBQJPDA-UHFFFAOYSA-N 0 0 335.425 3.342 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CCOCC2)CC1 ZINC000897698193 1310438461 /nfs/dbraw/zinc/43/84/61/1310438461.db2.gz PSETYEDNZLTCIU-UHFFFAOYSA-N 0 0 347.436 3.345 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(OC2CCC2)CC1 ZINC000897988019 1310542678 /nfs/dbraw/zinc/54/26/78/1310542678.db2.gz LOLBSYSUCSJWSD-UHFFFAOYSA-N 0 0 347.436 3.486 10 10 EGCERN O=C(NCCC1SCCS1)c1cc2cc(O)c(O)cc2s1 ZINC000898982459 1310899029 /nfs/dbraw/zinc/89/90/29/1310899029.db2.gz CMBWDZFAXFVBJL-UHFFFAOYSA-N 0 0 341.479 3.239 10 10 EGCERN O=C(C[C@H]1CCc2sccc2C1=O)N1Cc2cccc(O)c2C1 ZINC000899174620 1310967626 /nfs/dbraw/zinc/96/76/26/1310967626.db2.gz XTPBCRBIUWWHNB-LLVKDONJSA-N 0 0 327.405 3.131 10 10 EGCERN C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000857875100 1328612008 /nfs/dbraw/zinc/61/20/08/1328612008.db2.gz GIKAJVKHPDHNIG-HWPZZCPQSA-N 0 0 332.350 3.034 10 10 EGCERN Cc1cc(CNC(=O)N[C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000858235469 1328718737 /nfs/dbraw/zinc/71/87/37/1328718737.db2.gz RVYSNCIHQYWSSZ-QGZVFWFLSA-N 0 0 327.428 3.072 10 10 EGCERN COc1ccc(N(Cc2ccco2)C[C@@H]2C[C@H]3COC[C@H]3O2)cc1F ZINC000929990083 1328758277 /nfs/dbraw/zinc/75/82/77/1328758277.db2.gz BHWUPVVFWIKQCF-IYJAJMOOSA-N 0 0 347.386 3.238 10 10 EGCERN C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000858449566 1328765408 /nfs/dbraw/zinc/76/54/08/1328765408.db2.gz OHJPBUPAYAGXDO-QPUJVOFHSA-N 0 0 335.276 3.321 10 10 EGCERN C[C@H](NC(=O)[C@@H]1CCCC12CC2)c1ccc(N2CCOCC2)cc1 ZINC000858786510 1328860249 /nfs/dbraw/zinc/86/02/49/1328860249.db2.gz RESBTFWBQHJZAM-YJBOKZPZSA-N 0 0 328.456 3.281 10 10 EGCERN CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000858882801 1328882710 /nfs/dbraw/zinc/88/27/10/1328882710.db2.gz HAQQQCWPMTXEOX-UHFFFAOYSA-N 0 0 348.459 3.244 10 10 EGCERN COCCN(CCF)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000858906816 1328887541 /nfs/dbraw/zinc/88/75/41/1328887541.db2.gz QVQVWEJVSMJCQC-UHFFFAOYSA-N 0 0 347.434 3.222 10 10 EGCERN Cc1c(C)n(C)c2ccc(OS(=O)(=O)[C@H]3COC(C)(C)C3)cc12 ZINC000859194715 1328942803 /nfs/dbraw/zinc/94/28/03/1328942803.db2.gz HNGCQRSHNZNRAI-CQSZACIVSA-N 0 0 337.441 3.071 10 10 EGCERN C[C@@H](NC(=O)C[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930743822 1328954921 /nfs/dbraw/zinc/95/49/21/1328954921.db2.gz GDSRCLFVOIWQMH-IAGOWNOFSA-N 0 0 328.456 3.447 10 10 EGCERN COC[C@H]1C[C@@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000921348850 1322298834 /nfs/dbraw/zinc/29/88/34/1322298834.db2.gz DQZUQXBLTLVQSF-IYBDPMFKSA-N 0 0 342.439 3.258 10 10 EGCERN O=C(c1cccc(O)c1O)N1CCCSC[C@H]1c1ccccc1 ZINC000921643285 1322369059 /nfs/dbraw/zinc/36/90/59/1322369059.db2.gz MDTYVXANBUXACC-HNNXBMFYSA-N 0 0 329.421 3.418 10 10 EGCERN Cc1cnc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000922056398 1322446339 /nfs/dbraw/zinc/44/63/39/1322446339.db2.gz ZQUXWLRVJKCCCH-OAHLLOKOSA-N 0 0 326.444 3.325 10 10 EGCERN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000922056190 1322446656 /nfs/dbraw/zinc/44/66/56/1322446656.db2.gz WACYQCUSZHCSFT-RDTXWAMCSA-N 0 0 341.459 3.094 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000922780840 1322616079 /nfs/dbraw/zinc/61/60/79/1322616079.db2.gz LQTUZKGPSWBYIR-XTKXOIQPSA-N 0 0 345.439 3.166 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000923029397 1322678804 /nfs/dbraw/zinc/67/88/04/1322678804.db2.gz CJHAJBHUTGNXTC-ZUZCIYMTSA-N 0 0 342.208 3.095 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OC(C)(C)C)n1 ZINC000860696737 1329345534 /nfs/dbraw/zinc/34/55/34/1329345534.db2.gz DRFGAJHBDNHPIA-LBPRGKRZSA-N 0 0 344.411 3.031 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCC3(CCC3)O2)cc1 ZINC000927154719 1327896277 /nfs/dbraw/zinc/89/62/77/1327896277.db2.gz GGPPETJVBXEZEX-SFHVURJKSA-N 0 0 345.487 3.386 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCC3(CCC3)O2)c1 ZINC000927157018 1327897698 /nfs/dbraw/zinc/89/76/98/1327897698.db2.gz COEDVPYOFFGMAT-HIFRSBDPSA-N 0 0 348.443 3.253 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCc3cccnc32)c1 ZINC000927385265 1327997611 /nfs/dbraw/zinc/99/76/11/1327997611.db2.gz PUNYRUMVWWOLPT-LRDDRELGSA-N 0 0 341.411 3.234 10 10 EGCERN O=C(NCC[C@H]1CCC2(CCC2)O1)NCc1cc(Cl)ccc1O ZINC000927738570 1328126338 /nfs/dbraw/zinc/12/63/38/1328126338.db2.gz JKLRTJBZWPAVDO-CQSZACIVSA-N 0 0 338.835 3.337 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000928272005 1328269246 /nfs/dbraw/zinc/26/92/46/1328269246.db2.gz IOURMZSIYKXURI-YVZNUBBCSA-N 0 0 344.436 3.049 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](Cc2nccs2)C1 ZINC000928272003 1328269414 /nfs/dbraw/zinc/26/94/14/1328269414.db2.gz IOURMZSIYKXURI-YVARQFDVSA-N 0 0 344.436 3.049 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@H]2c2ccnn2C)c(C)n1-c1ccccn1 ZINC000928373546 1328293706 /nfs/dbraw/zinc/29/37/06/1328293706.db2.gz AWTGJFNSJFSBEX-SFHVURJKSA-N 0 0 349.438 3.200 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc([C@@H]2CCCOC2)cc1 ZINC000928709216 1328404523 /nfs/dbraw/zinc/40/45/23/1328404523.db2.gz YUSIHNZHXGGWLU-OAHLLOKOSA-N 0 0 329.371 3.355 10 10 EGCERN COc1cc(OC2CC2)ccc1C(=O)NCc1c(O)cccc1F ZINC000928708545 1328404588 /nfs/dbraw/zinc/40/45/88/1328404588.db2.gz ONPMDXHGQFFEBX-UHFFFAOYSA-N 0 0 331.343 3.011 10 10 EGCERN Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(C2CC2)n1 ZINC000862024577 1329455680 /nfs/dbraw/zinc/45/56/80/1329455680.db2.gz BLPODTNPNYPNRS-UHFFFAOYSA-N 0 0 333.391 3.451 10 10 EGCERN Cc1cc(CC(=O)N2CCO[C@@H](CCF)C2)c(C)n1-c1ccccc1 ZINC000863069923 1329527584 /nfs/dbraw/zinc/52/75/84/1329527584.db2.gz GJJUTDFKMNMDRV-IBGZPJMESA-N 0 0 344.430 3.224 10 10 EGCERN O=C([O-])C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000864519678 1329622048 /nfs/dbraw/zinc/62/20/48/1329622048.db2.gz VPDZJTSKWXLZPP-LJQANCHMSA-N 0 0 346.471 3.036 10 10 EGCERN CCOCCCCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000864635084 1329632726 /nfs/dbraw/zinc/63/27/26/1329632726.db2.gz RMBIQYSZAREABZ-UHFFFAOYSA-N 0 0 348.487 3.079 10 10 EGCERN COc1ccc(CCNC(=S)N[C@@H](C)c2ccccc2O)cc1 ZINC000865269746 1329681722 /nfs/dbraw/zinc/68/17/22/1329681722.db2.gz YPIRDMDGOFHOKT-ZDUSSCGKSA-N 0 0 330.453 3.169 10 10 EGCERN COc1ccc(CCNC(=O)N[C@@H](C)c2ccccc2O)cc1OC ZINC000866161872 1330072514 /nfs/dbraw/zinc/07/25/14/1330072514.db2.gz YOURQMONRNMMTF-ZDUSSCGKSA-N 0 0 344.411 3.012 10 10 EGCERN CCOC(=O)c1cc(CN[C@@H](C)c2ccc(N(C)CC)cc2)on1 ZINC000866514688 1330120612 /nfs/dbraw/zinc/12/06/12/1330120612.db2.gz PPSVGGXYLXKYKR-ZDUSSCGKSA-N 0 0 331.416 3.158 10 10 EGCERN CC(C)C1(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000866559358 1330126616 /nfs/dbraw/zinc/12/66/16/1330126616.db2.gz GCQHZGNSWZPZFF-UHFFFAOYSA-N 0 0 336.501 3.235 10 10 EGCERN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000866597462 1330131287 /nfs/dbraw/zinc/13/12/87/1330131287.db2.gz TVNBWFUBHZDIPO-CYBMUJFWSA-N 0 0 329.371 3.399 10 10 EGCERN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000866633270 1330136112 /nfs/dbraw/zinc/13/61/12/1330136112.db2.gz HDRZQSIYEXWBIE-WCABBAIRSA-N 0 0 334.229 3.494 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCCSCCC(F)(F)F)c1 ZINC000869067328 1330407734 /nfs/dbraw/zinc/40/77/34/1330407734.db2.gz WHZYROAMKAJUCB-UHFFFAOYSA-N 0 0 336.379 3.185 10 10 EGCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c1 ZINC000869411281 1330485657 /nfs/dbraw/zinc/48/56/57/1330485657.db2.gz TWTXEXIMMIDECP-MJGOQNOKSA-N 0 0 325.408 3.107 10 10 EGCERN CCCOc1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(C)c1 ZINC001183176524 1387272163 /nfs/dbraw/zinc/27/21/63/1387272163.db2.gz PNXPICNEASPPGU-UHFFFAOYSA-N 0 0 333.359 3.264 10 10 EGCERN C[C@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001326156247 1388120437 /nfs/dbraw/zinc/12/04/37/1388120437.db2.gz MWWCXKYOSAGFQG-XIRDDKMYSA-N 0 0 334.435 3.229 10 10 EGCERN O=C(C1=CC(=O)CS1)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001118773307 1371224210 /nfs/dbraw/zinc/22/42/10/1371224210.db2.gz ILCCEUOGWGROST-MRXNPFEDSA-N 0 0 331.437 3.257 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001124031779 1372660859 /nfs/dbraw/zinc/66/08/59/1372660859.db2.gz RRISROHUAZLITR-SWLSCSKDSA-N 0 0 347.436 3.486 10 10 EGCERN CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Br)cc1 ZINC001124828638 1372734009 /nfs/dbraw/zinc/73/40/09/1372734009.db2.gz OTGSGZFKYBRFNV-TWGQIWQCSA-N 0 0 334.217 3.249 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001126079530 1372928306 /nfs/dbraw/zinc/92/83/06/1372928306.db2.gz CPPYEPKIJWJTLL-UHFFFAOYSA-N 0 0 337.345 3.405 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2cc(=O)[nH]cc21 ZINC001126081507 1372929665 /nfs/dbraw/zinc/92/96/65/1372929665.db2.gz CEIPMAHWNPLEOQ-UHFFFAOYSA-N 0 0 335.407 3.245 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)CC2(C(F)(F)F)CC2)cc1 ZINC001326754004 1388300078 /nfs/dbraw/zinc/30/00/78/1388300078.db2.gz XWWDWVDBMMYOBR-UHFFFAOYSA-N 0 0 344.377 3.322 10 10 EGCERN C[C@H](NC(=O)NCc1ccc([Si](C)(C)C)cc1)c1ccccc1O ZINC001230483490 1376037232 /nfs/dbraw/zinc/03/72/32/1376037232.db2.gz BERHDTUKQSKOMV-AWEZNQCLSA-N 0 0 342.515 3.498 10 10 EGCERN Cc1cc(CNC(=O)NC[C@H](O)C(C)C)c(C)n1-c1cccc(C)c1 ZINC001234327326 1376811603 /nfs/dbraw/zinc/81/16/03/1376811603.db2.gz PHENAERAGAVXRN-IBGZPJMESA-N 0 0 343.471 3.219 10 10 EGCERN CN(C)c1ccnc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001135800704 1377214429 /nfs/dbraw/zinc/21/44/29/1377214429.db2.gz MIWZHUYBVYCIAT-UHFFFAOYSA-N 0 0 338.455 3.020 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cccc(-c3cnco3)c2)cc1F ZINC001136454365 1377394902 /nfs/dbraw/zinc/39/49/02/1377394902.db2.gz VMHWAXAJGBZANG-UHFFFAOYSA-N 0 0 339.370 3.477 10 10 EGCERN CN(Cc1cc(Cl)cn1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137386396 1377537612 /nfs/dbraw/zinc/53/76/12/1377537612.db2.gz CGCGRZKITKLVIK-UHFFFAOYSA-N 0 0 333.779 3.113 10 10 EGCERN COc1cccc(CNC(=O)c2c(OC)cccc2C(F)F)c1O ZINC001137473381 1377553881 /nfs/dbraw/zinc/55/38/81/1377553881.db2.gz HQKQFPSAOFRFCN-UHFFFAOYSA-N 0 0 337.322 3.277 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(cccc3OC)[nH]2)c1 ZINC001137473345 1377554069 /nfs/dbraw/zinc/55/40/69/1377554069.db2.gz GKQYZKCXBVYARW-NSHDSACASA-N 0 0 340.379 3.382 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC001138080644 1377674246 /nfs/dbraw/zinc/67/42/46/1377674246.db2.gz LFHRQEYKRTVMPJ-HXUWFJFHSA-N 0 0 348.446 3.428 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCOCC(F)F ZINC001138262646 1377695718 /nfs/dbraw/zinc/69/57/18/1377695718.db2.gz OYMPTWMBGITBNT-UHFFFAOYSA-N 0 0 336.382 3.414 10 10 EGCERN CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1F ZINC001138663215 1377764169 /nfs/dbraw/zinc/76/41/69/1377764169.db2.gz ACUJDEAPMSOMAZ-UHFFFAOYSA-N 0 0 337.778 3.484 10 10 EGCERN Cc1cc(C=O)c(O)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC001141538613 1378341764 /nfs/dbraw/zinc/34/17/64/1378341764.db2.gz RZKZOJICHFFRQD-UHFFFAOYSA-N 0 0 338.407 3.043 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cncn1-c1ccccc1 ZINC001142728340 1378482718 /nfs/dbraw/zinc/48/27/18/1378482718.db2.gz RLHZWBNMUSKQEL-UHFFFAOYSA-N 0 0 344.374 3.056 10 10 EGCERN Cc1ccc(-c2cc(NC(=O)Cc3ccc(O)c(O)c3)n[nH]2)s1 ZINC001143991553 1378667577 /nfs/dbraw/zinc/66/75/77/1378667577.db2.gz RMLOPRIEWZGYPE-UHFFFAOYSA-N 0 0 329.381 3.039 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)C2(CC(C)=O)CCC2)cc1F ZINC001144977157 1378785565 /nfs/dbraw/zinc/78/55/65/1378785565.db2.gz CQMCUUJFTIGNDW-UHFFFAOYSA-N 0 0 334.435 3.438 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC001150893225 1379628018 /nfs/dbraw/zinc/62/80/18/1379628018.db2.gz DRWDELZCVSLMAS-OAHLLOKOSA-N 0 0 344.415 3.461 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1csc(-c2ccccc2F)n1 ZINC001153885357 1380149564 /nfs/dbraw/zinc/14/95/64/1380149564.db2.gz MICXUQBQXZNTAA-UHFFFAOYSA-N 0 0 344.367 3.290 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(Cl)c1Cl ZINC001154027552 1380185018 /nfs/dbraw/zinc/18/50/18/1380185018.db2.gz WOESISFYFCEBDC-QMMMGPOBSA-N 0 0 341.194 3.161 10 10 EGCERN Cc1cc(OCC(=O)NCc2c(O)cccc2O)cc(C)c1Cl ZINC001156881215 1380715713 /nfs/dbraw/zinc/71/57/13/1380715713.db2.gz UXFZDBGFRXWYTK-UHFFFAOYSA-N 0 0 335.787 3.063 10 10 EGCERN CN(CC(=O)NCc1c(O)ccc2ccccc21)Cc1ccccc1 ZINC001157041690 1380758156 /nfs/dbraw/zinc/75/81/56/1380758156.db2.gz LLVZHOLIEQSYSB-UHFFFAOYSA-N 0 0 334.419 3.294 10 10 EGCERN Cc1cc(CNC(=O)COC(F)(F)F)c(C)n1-c1ccccc1 ZINC001287661257 1381319664 /nfs/dbraw/zinc/31/96/64/1381319664.db2.gz RAWAFWPYFPTYIR-UHFFFAOYSA-N 0 0 326.318 3.247 10 10 EGCERN O=C(NCc1ccc2[nH]cnc2c1)c1cc2cc(O)c(O)cc2s1 ZINC001158844142 1381429081 /nfs/dbraw/zinc/42/90/81/1381429081.db2.gz BLFUXUFLMOXCSL-UHFFFAOYSA-N 0 0 339.376 3.119 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1nccc(N)n1 ZINC001159441977 1381795533 /nfs/dbraw/zinc/79/55/33/1381795533.db2.gz PQWUHAGOHNWAJX-GFCCVEGCSA-N 0 0 341.440 3.019 10 10 EGCERN Nc1c(Cl)cccc1C(=O)NCCCSc1nccs1 ZINC001292997931 1382243376 /nfs/dbraw/zinc/24/33/76/1382243376.db2.gz VNYGIOHXNBBLJL-UHFFFAOYSA-N 0 0 327.862 3.291 10 10 EGCERN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c(F)ccc(O)c1O ZINC001161230105 1382349865 /nfs/dbraw/zinc/34/98/65/1382349865.db2.gz JYXGMLWJJDSGHH-RDDDGLTNSA-N 0 0 339.725 3.315 10 10 EGCERN COC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)cc1 ZINC001294050530 1382411879 /nfs/dbraw/zinc/41/18/79/1382411879.db2.gz LURKJMYANOUDCZ-OAHLLOKOSA-N 0 0 344.346 3.106 10 10 EGCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(N2CCCC2)c1 ZINC001294598659 1382476498 /nfs/dbraw/zinc/47/64/98/1382476498.db2.gz LDHZVRGUUQKVAJ-CQSZACIVSA-N 0 0 340.423 3.118 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)/C(F)=C(/C)C3CC3)CC2)cc1 ZINC001295275387 1382592945 /nfs/dbraw/zinc/59/29/45/1382592945.db2.gz RAXLSLHERHVTOL-NBVRZTHBSA-N 0 0 332.419 3.387 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cc(Cl)ncc1F ZINC001162612489 1382809583 /nfs/dbraw/zinc/80/95/83/1382809583.db2.gz KTPODSYLJLWZQZ-UHFFFAOYSA-N 0 0 331.734 3.058 10 10 EGCERN CO[C@@](C)(C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001162612455 1382809624 /nfs/dbraw/zinc/80/96/24/1382809624.db2.gz JOBSXLMCSAMXLS-HXUWFJFHSA-N 0 0 336.391 3.118 10 10 EGCERN Cc1cc2sc(NC(=O)Cc3ccc(O)c(O)c3)nc2cc1F ZINC001297358684 1383150103 /nfs/dbraw/zinc/15/01/03/1383150103.db2.gz RMTASFCENKLHQR-UHFFFAOYSA-N 0 0 332.356 3.336 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001297562331 1383185368 /nfs/dbraw/zinc/18/53/68/1383185368.db2.gz HNXSQPHUATYMHY-LBPRGKRZSA-N 0 0 349.383 3.206 10 10 EGCERN CS(C)(=O)=Nc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001299204769 1383485542 /nfs/dbraw/zinc/48/55/42/1383485542.db2.gz BCZGTQTXVGQDOG-CLFYSBASSA-N 0 0 346.408 3.109 10 10 EGCERN CC(=O)c1ccc(CC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001299721833 1383622898 /nfs/dbraw/zinc/62/28/98/1383622898.db2.gz RYQMRYLCQPVGMA-UHFFFAOYSA-N 0 0 334.375 3.002 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001299748001 1383626329 /nfs/dbraw/zinc/62/63/29/1383626329.db2.gz DZWFZSMWDNANEC-WMLDXEAASA-N 0 0 326.331 3.216 10 10 EGCERN CC(=O)c1cccc(O[C@H](C)C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001300397764 1383662016 /nfs/dbraw/zinc/66/20/16/1383662016.db2.gz AZULBXZLWMVLHF-GFCCVEGCSA-N 0 0 347.798 3.332 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cn(C)nc2-c2cccs2)c1 ZINC001301047108 1383692232 /nfs/dbraw/zinc/69/22/32/1383692232.db2.gz RKWVKLKVBVVNLY-UHFFFAOYSA-N 0 0 327.409 3.093 10 10 EGCERN Cc1cc(CC(=O)N2CC[C@@H](C)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC001167671051 1383706333 /nfs/dbraw/zinc/70/63/33/1383706333.db2.gz KRUBERCMCPDBIA-BEFAXECRSA-N 0 0 340.467 3.114 10 10 EGCERN C[C@@H](NC(=O)c1cc(C(=O)c2ccccc2)c[nH]1)c1ccccc1O ZINC001302532807 1383757053 /nfs/dbraw/zinc/75/70/53/1383757053.db2.gz RQANMBFJFYKFHQ-CYBMUJFWSA-N 0 0 334.375 3.442 10 10 EGCERN CCn1cc(Br)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001302530747 1383757061 /nfs/dbraw/zinc/75/70/61/1383757061.db2.gz YPFJUTRLJFBGHN-SNVBAGLBSA-N 0 0 337.217 3.467 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)[C@H]1COc2ccccc2O1 ZINC001304089835 1383828860 /nfs/dbraw/zinc/82/88/60/1383828860.db2.gz NRYKXPDTDGJGFT-LJQANCHMSA-N 0 0 335.359 3.002 10 10 EGCERN C[C@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307076396 1383936938 /nfs/dbraw/zinc/93/69/38/1383936938.db2.gz CAZPOKPWKXWDOP-OLZOCXBDSA-N 0 0 328.368 3.397 10 10 EGCERN Oc1c(CNc2ncnc(F)c2Br)ccc2cccnc12 ZINC001307146541 1383945555 /nfs/dbraw/zinc/94/55/55/1383945555.db2.gz UCPLVXGEEAOENH-UHFFFAOYSA-N 0 0 349.163 3.244 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCC(F)(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001307224504 1383960641 /nfs/dbraw/zinc/96/06/41/1383960641.db2.gz FHGKXHKKURBTMP-CLTKARDFSA-N 0 0 348.374 3.500 10 10 EGCERN CCN(CC(F)(F)F)C(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC001307555540 1384001961 /nfs/dbraw/zinc/00/19/61/1384001961.db2.gz LVQBMWGPMQEXGT-UHFFFAOYSA-N 0 0 338.757 3.196 10 10 EGCERN C[C@@H]1C[C@H]1N(CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC001307838299 1384039678 /nfs/dbraw/zinc/03/96/78/1384039678.db2.gz TUABEGSCRXXHBZ-OXQOHEQNSA-N 0 0 337.467 3.284 10 10 EGCERN CCC1(CC)[C@H](NC(=O)NCc2cc(Cl)ccc2O)C[C@@H]1OC ZINC001312347837 1384341469 /nfs/dbraw/zinc/34/14/69/1384341469.db2.gz HUGMQWTWWJXYGC-CABCVRRESA-N 0 0 340.851 3.439 10 10 EGCERN Cc1cc(CNC(=O)N[C@@H](C)C[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC001313132081 1384398825 /nfs/dbraw/zinc/39/88/25/1384398825.db2.gz LPPSFXFESMLOCD-GOEBONIOSA-N 0 0 343.471 3.361 10 10 EGCERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001171722765 1384613996 /nfs/dbraw/zinc/61/39/96/1384613996.db2.gz DFLVDHAQMGYONL-HZSPNIEDSA-N 0 0 333.428 3.327 10 10 EGCERN Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1-c1ccc(C)cc1 ZINC001175030395 1385183941 /nfs/dbraw/zinc/18/39/41/1385183941.db2.gz REJWEIHYOCWWQZ-UHFFFAOYSA-N 0 0 333.391 3.351 10 10 EGCERN C[C@H](CSc1ccc(F)cc1)C(=O)NCc1cc(O)ccc1O ZINC001176747898 1385681130 /nfs/dbraw/zinc/68/11/30/1385681130.db2.gz DPIWOIUCMGNVIR-LLVKDONJSA-N 0 0 335.400 3.282 10 10 EGCERN Cc1cc(C(=O)CCC(=O)NCc2cc(O)ccc2O)c(C)s1 ZINC001176748125 1385681263 /nfs/dbraw/zinc/68/12/63/1385681263.db2.gz KVXRZKDTYRQXTP-UHFFFAOYSA-N 0 0 333.409 3.055 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(C3CCCC3)c2)cc1 ZINC001178317161 1386187133 /nfs/dbraw/zinc/18/71/33/1386187133.db2.gz MVLONKRPZIWDNI-UHFFFAOYSA-N 0 0 326.360 3.413 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1cc(-c2c(F)cccc2F)no1 ZINC001178412595 1386209898 /nfs/dbraw/zinc/20/98/98/1386209898.db2.gz AZSXPHJKRAZVEQ-UHFFFAOYSA-N 0 0 348.280 3.395 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cc(F)ccc1-c1ccoc1 ZINC001178911889 1386346204 /nfs/dbraw/zinc/34/62/04/1386346204.db2.gz QKPUIHMNYRNVQP-UHFFFAOYSA-N 0 0 327.311 3.427 10 10 EGCERN CN(CC(=O)NCc1c(O)ccc2ccccc21)C(=O)OC(C)(C)C ZINC001179032764 1386383055 /nfs/dbraw/zinc/38/30/55/1386383055.db2.gz NEBLLAIFMOXXMV-UHFFFAOYSA-N 0 0 344.411 3.029 10 10 EGCERN CC/C=C/[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC001345070978 1390835141 /nfs/dbraw/zinc/83/51/41/1390835141.db2.gz CNUZZLWWRMHRGS-AUNFYEFLSA-N 0 0 342.443 3.030 10 10 EGCERN O=C(CCNc1ccccc1)NCc1cc(Br)ccc1O ZINC001346119275 1390909106 /nfs/dbraw/zinc/90/91/06/1390909106.db2.gz UNCQKQLCZNONHM-UHFFFAOYSA-N 0 0 349.228 3.273 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Nc2cc(C3CC3)nn2C)cc1 ZINC001347997141 1391156863 /nfs/dbraw/zinc/15/68/63/1391156863.db2.gz FMHWAKWQOCEELT-UHFFFAOYSA-N 0 0 341.459 3.465 10 10 EGCERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349106722 1391303130 /nfs/dbraw/zinc/30/31/30/1391303130.db2.gz QAAAOCFTYMABHL-DNVCBOLYSA-N 0 0 328.456 3.251 10 10 EGCERN CCN(c1nnc(C2SC=CC2=O)n1Cc1cc(C)on1)C(C)C ZINC001349744683 1391361649 /nfs/dbraw/zinc/36/16/49/1391361649.db2.gz NNRPOYKYJHIDKC-UHFFFAOYSA-N 0 0 347.444 3.292 10 10 EGCERN CC1=C(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)SCCO1 ZINC001351164023 1391606385 /nfs/dbraw/zinc/60/63/85/1391606385.db2.gz SBDWWMOSPRWHIT-UHFFFAOYSA-N 0 0 332.469 3.240 10 10 EGCERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351671869 1391667873 /nfs/dbraw/zinc/66/78/73/1391667873.db2.gz AZPLFAUILRRPLG-YIOZNXECSA-N 0 0 330.472 3.305 10 10 EGCERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1-n1cccn1 ZINC001353505272 1392026143 /nfs/dbraw/zinc/02/61/43/1392026143.db2.gz XLPRTUOXLLSOJC-UHFFFAOYSA-N 0 0 334.423 3.177 10 10 EGCERN CO[C@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354113221 1392121013 /nfs/dbraw/zinc/12/10/13/1392121013.db2.gz ABPMTZSUOFNFCQ-WMZOPIPTSA-N 0 0 349.386 3.216 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCc1ccc(-c2cnco2)cc1 ZINC001479492922 1392255946 /nfs/dbraw/zinc/25/59/46/1392255946.db2.gz HCPJJZGIVNIILJ-UHFFFAOYSA-N 0 0 337.379 3.389 10 10 EGCERN COC[C@@H](C)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC001712137599 1417486309 /nfs/dbraw/zinc/48/63/09/1417486309.db2.gz ATSJUSWKZMAQJW-HNNXBMFYSA-N 0 0 346.475 3.101 10 10 EGCERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1[C@@H]1C[C@@H]1C ZINC001726354551 1427048249 /nfs/dbraw/zinc/04/82/49/1427048249.db2.gz JZXJYLBCKKMUIB-KBXCAEBGSA-N 0 0 325.460 3.404 10 10 EGCERN CCc1nnc(N(C)CC(C)C)n1Cc1ccc2c(c1)CCCN2C ZINC001727501853 1427106446 /nfs/dbraw/zinc/10/64/46/1427106446.db2.gz QBEAGALFHSUKHY-UHFFFAOYSA-N 0 0 341.503 3.363 10 10 EGCERN CC[C@@H](C)c1nnc(N(C)OC)n1Cc1ccc2c(c1)CCCN2C ZINC001752636254 1440197427 /nfs/dbraw/zinc/19/74/27/1440197427.db2.gz QRPASBRBMGEZMU-CQSZACIVSA-N 0 0 343.475 3.220 10 10 EGCERN Cc1cccc(-c2nnc(N(C)Cc3ccccc3O)n2C2CC2)n1 ZINC001761915833 1441373750 /nfs/dbraw/zinc/37/37/50/1441373750.db2.gz ADOCWWQRYSPDOU-UHFFFAOYSA-N 0 0 335.411 3.325 10 10 EGCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1CC1CCCC1 ZINC001766236303 1441400552 /nfs/dbraw/zinc/40/05/52/1441400552.db2.gz PUWCEHHATYCCGT-UHFFFAOYSA-N 0 0 344.459 3.347 10 10 EGCERN COCCCNC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000101842600 219166864 /nfs/dbraw/zinc/16/68/64/219166864.db2.gz GJVKGNNUIPQYMO-KNTRCKAVSA-N 0 0 349.434 3.338 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)cc1 ZINC000023055398 212345672 /nfs/dbraw/zinc/34/56/72/212345672.db2.gz XQMYCOOIKMMUBA-GJZGRUSLSA-N 0 0 342.439 3.352 10 10 EGCERN CN(C)/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000012368590 281897742 /nfs/dbraw/zinc/89/77/42/281897742.db2.gz BIYUTJFEUGPKRP-YFHOEESVSA-N 0 0 343.271 3.217 10 10 EGCERN CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000527958842 312984102 /nfs/dbraw/zinc/98/41/02/312984102.db2.gz XAZHKCPJCKLCDH-IHRRRGAJSA-N 0 0 334.243 3.280 10 10 EGCERN CC/C(=C/C(=O)NCCc1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000157822205 455236086 /nfs/dbraw/zinc/23/60/86/455236086.db2.gz VLRLCWLUBZMDME-SQFISAMPSA-N 0 0 341.407 3.259 10 10 EGCERN COc1ccc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000006546416 452952804 /nfs/dbraw/zinc/95/28/04/452952804.db2.gz ZXTIGEXVFDAIFR-UHFFFAOYSA-N 0 0 339.439 3.035 10 10 EGCERN CCOc1ccccc1OCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000018215158 453648614 /nfs/dbraw/zinc/64/86/14/453648614.db2.gz OKSQAXDJYMFLFJ-UHFFFAOYSA-N 0 0 342.439 3.237 10 10 EGCERN Cc1cc(C)n(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000053176923 453863148 /nfs/dbraw/zinc/86/31/48/453863148.db2.gz YJXCVKAZFCCSEV-UHFFFAOYSA-N 0 0 340.471 3.149 10 10 EGCERN COC(=O)c1c(N)ccc2nc3ccc4c(OC)cccc4c3nc21 ZINC000036463072 453927828 /nfs/dbraw/zinc/92/78/28/453927828.db2.gz VHYKSKYYVAYLKU-UHFFFAOYSA-N 0 0 333.347 3.314 10 10 EGCERN O=C(NCc1ccc(N2CCCCC2)cc1)NCc1cccc(O)c1 ZINC000058166075 454167308 /nfs/dbraw/zinc/16/73/08/454167308.db2.gz GPRXFNWKNCXMRU-UHFFFAOYSA-N 0 0 339.439 3.382 10 10 EGCERN Oc1ccc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000119596313 454205912 /nfs/dbraw/zinc/20/59/12/454205912.db2.gz ANGOXZUJUUKAEM-UHFFFAOYSA-N 0 0 327.380 3.206 10 10 EGCERN CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000103799345 454568704 /nfs/dbraw/zinc/56/87/04/454568704.db2.gz LBBKMNQDYDYXGA-FOWTUZBSSA-N 0 0 338.338 3.175 10 10 EGCERN O=C(CCCc1ccc(F)c(F)c1)NCCc1ccc(O)c(O)c1 ZINC000122793647 454569389 /nfs/dbraw/zinc/56/93/89/454569389.db2.gz AMMSVNKOAFWYQY-UHFFFAOYSA-N 0 0 335.350 3.058 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000109080795 454819928 /nfs/dbraw/zinc/81/99/28/454819928.db2.gz YORSOFRXCVHZOS-JKSUJKDBSA-N 0 0 330.378 3.451 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000155013223 454953910 /nfs/dbraw/zinc/95/39/10/454953910.db2.gz PNALTIPJMXDIQS-UHFFFAOYSA-N 0 0 340.301 3.001 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c(O)c1O ZINC000179526856 455055719 /nfs/dbraw/zinc/05/57/19/455055719.db2.gz WRZHNJHMMSDDSB-WBVHZDCISA-N 0 0 341.407 3.135 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000172695156 455174097 /nfs/dbraw/zinc/17/40/97/455174097.db2.gz DWVVWQPVFMVJDL-IBGZPJMESA-N 0 0 349.434 3.386 10 10 EGCERN COc1ccc(O)c(CNC2(c3noc(C(C)C)n3)CCCC2)c1 ZINC000181799760 455382995 /nfs/dbraw/zinc/38/29/95/455382995.db2.gz CRBTWYYFBRIESO-UHFFFAOYSA-N 0 0 331.416 3.466 10 10 EGCERN Cc1cc(C(=O)Nc2nnc(C3CCC3)[nH]2)c(C)n1-c1ccccn1 ZINC000184613652 455412959 /nfs/dbraw/zinc/41/29/59/455412959.db2.gz QEYXNWSNJKIENK-UHFFFAOYSA-N 0 0 336.399 3.127 10 10 EGCERN C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(F)c(F)c1[O-] ZINC000191199338 455462647 /nfs/dbraw/zinc/46/26/47/455462647.db2.gz GNCNXRYPUSKNJW-LLVKDONJSA-N 0 0 330.338 3.102 10 10 EGCERN Cc1nnc([C@H](N[C@H](C)c2cc(F)ccc2O)c2ccccc2)[nH]1 ZINC000185325019 455540699 /nfs/dbraw/zinc/54/06/99/455540699.db2.gz LTXAFVPUWKGVRI-PIGZYNQJSA-N 0 0 326.375 3.398 10 10 EGCERN COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000185711845 455603463 /nfs/dbraw/zinc/60/34/63/455603463.db2.gz IRINEXFTGQBCLB-UKRRQHHQSA-N 0 0 330.403 3.469 10 10 EGCERN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000186111134 455695850 /nfs/dbraw/zinc/69/58/50/455695850.db2.gz DRIRNRLVBGTWFV-UWVGGRQHSA-N 0 0 346.258 3.153 10 10 EGCERN C[C@H]([NH2+]CCCN1CCOC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192815800 455699891 /nfs/dbraw/zinc/69/98/91/455699891.db2.gz RSLDZVXLZDVVGU-VIFPVBQESA-N 0 0 333.215 3.192 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000248521354 455718137 /nfs/dbraw/zinc/71/81/37/455718137.db2.gz RMFFRMIVBBJUTO-YZVOILCLSA-N 0 0 343.446 3.488 10 10 EGCERN CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccnc1 ZINC000293518550 455789261 /nfs/dbraw/zinc/78/92/61/455789261.db2.gz ATRADJYIMRWDOV-INIZCTEOSA-N 0 0 338.810 3.429 10 10 EGCERN CC1CCC(OC2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000262653424 456051359 /nfs/dbraw/zinc/05/13/59/456051359.db2.gz WEXYRUKCIDDDAA-UHFFFAOYSA-N 0 0 330.472 3.398 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2ccc(F)cc2)CC1 ZINC000188906338 456167395 /nfs/dbraw/zinc/16/73/95/456167395.db2.gz GBDRGSRSPDDPAH-UHFFFAOYSA-N 0 0 340.398 3.349 10 10 EGCERN CN(c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CCC(C)(C)CC1 ZINC000301647858 456173575 /nfs/dbraw/zinc/17/35/75/456173575.db2.gz DZRZNVPYLMJZHK-UHFFFAOYSA-N 0 0 333.388 3.331 10 10 EGCERN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000273388040 456226757 /nfs/dbraw/zinc/22/67/57/456226757.db2.gz KBRPMPUSRDFIOQ-VXGBXAGGSA-N 0 0 344.367 3.483 10 10 EGCERN CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000275142155 456271292 /nfs/dbraw/zinc/27/12/92/456271292.db2.gz ORBPIPMUVIHUJG-UHFFFAOYSA-N 0 0 336.407 3.188 10 10 EGCERN COc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccccc3C)C2)c(O)c1 ZINC000374278505 457563689 /nfs/dbraw/zinc/56/36/89/457563689.db2.gz QNLMJZMASMDFEY-WKILWMFISA-N 0 0 340.423 3.455 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC([C@H]2CCOC2)C1 ZINC000375107509 457794617 /nfs/dbraw/zinc/79/46/17/457794617.db2.gz BNEYKBRESPDYQM-AWEZNQCLSA-N 0 0 330.453 3.264 10 10 EGCERN CN(C)C(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 ZINC000367397145 457952450 /nfs/dbraw/zinc/95/24/50/457952450.db2.gz RDLCJYWFLHRHAV-UHFFFAOYSA-N 0 0 342.830 3.126 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](c3ccccc3C)C2)c1 ZINC000375990817 458153507 /nfs/dbraw/zinc/15/35/07/458153507.db2.gz YWAMUQLXJHFLHQ-KOMQPUFPSA-N 0 0 340.423 3.455 10 10 EGCERN Cc1cc(-c2nc(C3(C)CC3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000453331695 458524989 /nfs/dbraw/zinc/52/49/89/458524989.db2.gz ZVNBROBPIXYORE-UHFFFAOYSA-N 0 0 339.420 3.313 10 10 EGCERN Cc1cc(-c2nc(CC3CC3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000534693142 459346592 /nfs/dbraw/zinc/34/65/92/459346592.db2.gz VYFVLMOBTPVDQD-UHFFFAOYSA-N 0 0 339.420 3.214 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000527803230 459741289 /nfs/dbraw/zinc/74/12/89/459741289.db2.gz DLQYLIZVKCDSLK-ZHPDPMBESA-N 0 0 328.250 3.365 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528858238 459815641 /nfs/dbraw/zinc/81/56/41/459815641.db2.gz SBRUKJFDXNBRSM-CVEARBPZSA-N 0 0 329.371 3.089 10 10 EGCERN Cc1c(Cl)cccc1NNC(=S)Nc1ccc(C(N)=O)cc1 ZINC000726460181 574556857 /nfs/dbraw/zinc/55/68/57/574556857.db2.gz ZRAXOPDRLPSRJN-UHFFFAOYSA-N 0 0 334.832 3.061 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000729705903 574881223 /nfs/dbraw/zinc/88/12/23/574881223.db2.gz PCVHMKNRRQKUFI-HNNXBMFYSA-N 0 0 348.468 3.425 10 10 EGCERN COc1cccc([C@H]2C[C@@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000730177525 574930640 /nfs/dbraw/zinc/93/06/40/574930640.db2.gz NHQUKIGSFOZUIE-SJORKVTESA-N 0 0 342.414 3.320 10 10 EGCERN Cc1cc(C(=O)CS[C@@H](C)CO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000742460699 576785628 /nfs/dbraw/zinc/78/56/28/576785628.db2.gz XHYFUSRNMFCMEL-LBPRGKRZSA-N 0 0 347.436 3.120 10 10 EGCERN CCOc1c(F)cccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000742596842 576791348 /nfs/dbraw/zinc/79/13/48/576791348.db2.gz DKKGGTLUORNMKV-UHFFFAOYSA-N 0 0 334.366 3.360 10 10 EGCERN C[C@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000743564058 576812215 /nfs/dbraw/zinc/81/22/15/576812215.db2.gz CLFGLMIQIUXEMZ-IKGGRYGDSA-N 0 0 345.487 3.414 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000041334769 1291414858 /nfs/dbraw/zinc/41/48/58/1291414858.db2.gz QDGHBARBUPBYFI-KRWDZBQOSA-N 0 0 338.451 3.223 10 10 EGCERN COc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ccc(C)cc2)c1 ZINC000159985427 1294254308 /nfs/dbraw/zinc/25/43/08/1294254308.db2.gz VFLRHVXKDBDMIC-CQSZACIVSA-N 0 0 328.412 3.312 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3cc(C)cc(F)c3)CC2)cc1 ZINC000178262725 1294726486 /nfs/dbraw/zinc/72/64/86/1294726486.db2.gz DQPJFTLPFKPKQH-UHFFFAOYSA-N 0 0 343.402 3.497 10 10 EGCERN COc1ccc(O)c([C@@H](C)NCc2noc(-c3ccccc3)n2)c1 ZINC000182445687 1295047625 /nfs/dbraw/zinc/04/76/25/1295047625.db2.gz ZEUHJGDEPSRMGP-GFCCVEGCSA-N 0 0 325.368 3.302 10 10 EGCERN CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000191378216 1295673265 /nfs/dbraw/zinc/67/32/65/1295673265.db2.gz DPUAJUHZUMMKMA-MJGOQNOKSA-N 0 0 345.487 3.290 10 10 EGCERN CC1CCN(c2ccc(C(=O)N3Cc4cccc(O)c4C3)cn2)CC1 ZINC000871200426 1296269572 /nfs/dbraw/zinc/26/95/72/1296269572.db2.gz BUMQPYVNGJWRJI-UHFFFAOYSA-N 0 0 337.423 3.180 10 10 EGCERN O=C([C@H]1CCCN1Cc1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000871202811 1296271283 /nfs/dbraw/zinc/27/12/83/1296271283.db2.gz GSLOLQWCLLZUAT-GOSISDBHSA-N 0 0 340.398 3.038 10 10 EGCERN COCCOc1ccc(Cl)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203011 1296271923 /nfs/dbraw/zinc/27/19/23/1296271923.db2.gz JVGSLXSNPONQQH-UHFFFAOYSA-N 0 0 347.798 3.227 10 10 EGCERN CC1(C)OC(=O)c2ccccc2[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000872171366 1296793938 /nfs/dbraw/zinc/79/39/38/1296793938.db2.gz SFADQLOYNJTWER-KRWDZBQOSA-N 0 0 349.390 3.324 10 10 EGCERN Nc1ccc(CCNC(=O)Nc2cccc(Br)c2)cc1 ZINC000398380073 1297717427 /nfs/dbraw/zinc/71/74/27/1297717427.db2.gz MNWPLGUJHKMTSQ-UHFFFAOYSA-N 0 0 334.217 3.396 10 10 EGCERN CC(=O)c1cc(Cl)cc(Cn2cc([C@H]3CCCC(=O)C3)nn2)c1O ZINC000880999973 1301383388 /nfs/dbraw/zinc/38/33/88/1301383388.db2.gz WMIJLRWDXQJGEN-NSHDSACASA-N 0 0 347.802 3.115 10 10 EGCERN COc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)n(C)n1 ZINC000882934972 1302172213 /nfs/dbraw/zinc/17/22/13/1302172213.db2.gz AGUHMDQQXKQGOR-UHFFFAOYSA-N 0 0 330.413 3.150 10 10 EGCERN C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3c([O-])ccc(Cl)c3F)O2)[C@H]1C ZINC000886338001 1303440339 /nfs/dbraw/zinc/44/03/39/1303440339.db2.gz FXJRDPQDVRXOFO-GUUCOKDPSA-N 0 0 343.826 3.247 10 10 EGCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000895752056 1309504301 /nfs/dbraw/zinc/50/43/01/1309504301.db2.gz CNQAWUVVFCSKNH-AWEZNQCLSA-N 0 0 327.758 3.017 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000895752005 1309504411 /nfs/dbraw/zinc/50/44/11/1309504411.db2.gz BIOHGCGVBBRGKK-ZDUSSCGKSA-N 0 0 327.758 3.017 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776272 1309513810 /nfs/dbraw/zinc/51/38/10/1309513810.db2.gz AYLJMNMNDPLQJI-AOOOYVTPSA-N 0 0 332.238 3.089 10 10 EGCERN C[C@H](COCC(F)(F)F)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895936468 1309598236 /nfs/dbraw/zinc/59/82/36/1309598236.db2.gz LOEWKUMYCDXPMA-SSDOTTSWSA-N 0 0 349.330 3.010 10 10 EGCERN O=C(NCCCOC1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895982359 1309629176 /nfs/dbraw/zinc/62/91/76/1309629176.db2.gz JPLNYUDODIBJCT-UHFFFAOYSA-N 0 0 335.425 3.392 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000896071438 1309687249 /nfs/dbraw/zinc/68/72/49/1309687249.db2.gz NJYZKKLHZNHBBL-WBVHZDCISA-N 0 0 346.814 3.375 10 10 EGCERN CC(C)[C@H](O)C(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897193271 1310218532 /nfs/dbraw/zinc/21/85/32/1310218532.db2.gz YJKFSIVWQWMDNO-HNNXBMFYSA-N 0 0 337.441 3.085 10 10 EGCERN O=C(NCCC[C@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000897396249 1310319260 /nfs/dbraw/zinc/31/92/60/1310319260.db2.gz UIANGSDUNLTISH-GFCCVEGCSA-N 0 0 335.425 3.392 10 10 EGCERN CC1(C)C[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897941952 1310525561 /nfs/dbraw/zinc/52/55/61/1310525561.db2.gz IDZMBLQBIXPJGP-SNVBAGLBSA-N 0 0 335.425 3.248 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000898075972 1310580175 /nfs/dbraw/zinc/58/01/75/1310580175.db2.gz KSZTXOQEQQSRNW-YPMHNXCESA-N 0 0 347.436 3.344 10 10 EGCERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCCO1 ZINC000898438303 1310734378 /nfs/dbraw/zinc/73/43/78/1310734378.db2.gz FJRSVEIHWLKIGY-FZMZJTMJSA-N 0 0 335.425 3.390 10 10 EGCERN COc1ncc(C(=O)NCc2cc(Cl)ccc2O)cc1Cl ZINC000857548175 1328547120 /nfs/dbraw/zinc/54/71/20/1328547120.db2.gz HHOUWJLIZTVBNF-UHFFFAOYSA-N 0 0 327.167 3.033 10 10 EGCERN O=C(Nc1ccc2c(c1)OCCCO2)N1Cc2cccc(O)c2C1 ZINC000929316378 1328566111 /nfs/dbraw/zinc/56/61/11/1328566111.db2.gz SHEAGLQTOSJCHA-UHFFFAOYSA-N 0 0 326.352 3.101 10 10 EGCERN C[C@H](NC(=O)c1cn2c(n1)CC[C@H](C)C2)c1ccc(N(C)C)cc1 ZINC000857950657 1328638613 /nfs/dbraw/zinc/63/86/13/1328638613.db2.gz JWHKZYZTEJNBKW-KBPBESRZSA-N 0 0 326.444 3.022 10 10 EGCERN Cc1cc(C(=O)NC[C@@H]2CCc3cccnc32)c(C)n1-c1ccccn1 ZINC000857967376 1328643224 /nfs/dbraw/zinc/64/32/24/1328643224.db2.gz BTLBJBHOKGUYET-KRWDZBQOSA-N 0 0 346.434 3.344 10 10 EGCERN O=C(c1c(F)ccc(O)c1O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899420573 1317028113 /nfs/dbraw/zinc/02/81/13/1317028113.db2.gz LXTRZTBFBGHBRS-RTHLEPHNSA-N 0 0 333.281 3.042 10 10 EGCERN CC1(C)CO[C@H](CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899455522 1317043362 /nfs/dbraw/zinc/04/33/62/1317043362.db2.gz LBBOCRLYLXWECV-LLVKDONJSA-N 0 0 335.425 3.248 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCCCCOCc2ccccc2)c1 ZINC000858165226 1328700869 /nfs/dbraw/zinc/70/08/69/1328700869.db2.gz CXGGNXRSQXCPGI-UHFFFAOYSA-N 0 0 342.439 3.497 10 10 EGCERN Oc1ccccc1CN(Cc1c(F)cncc1F)C[C@@H]1CCCO1 ZINC000929971194 1328752433 /nfs/dbraw/zinc/75/24/33/1328752433.db2.gz NPLSFYFJEYNOGJ-AWEZNQCLSA-N 0 0 334.366 3.247 10 10 EGCERN C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858452536 1328765891 /nfs/dbraw/zinc/76/58/91/1328765891.db2.gz LANUSQXJSXVEAW-ZBFHGGJFSA-N 0 0 337.261 3.077 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCC12CC2 ZINC000858590386 1328802635 /nfs/dbraw/zinc/80/26/35/1328802635.db2.gz VYDOWZRZHRTRRV-QGZVFWFLSA-N 0 0 330.497 3.436 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(C)C[C@H]4C[C@H]4C3)C2)cc1 ZINC000858598080 1328806622 /nfs/dbraw/zinc/80/66/22/1328806622.db2.gz BODANWDWPUFBLX-UIVXKWKOSA-N 0 0 343.471 3.009 10 10 EGCERN CC[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc(OC)cc1 ZINC000913909768 1319172796 /nfs/dbraw/zinc/17/27/96/1319172796.db2.gz KGOUMZKNUQXVJW-INIZCTEOSA-N 0 0 332.375 3.490 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)cn2ccnc12 ZINC000858826919 1328869256 /nfs/dbraw/zinc/86/92/56/1328869256.db2.gz RAOVZBWLFHHOKC-UHFFFAOYSA-N 0 0 336.439 3.371 10 10 EGCERN C/C=C/CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000858888520 1328883401 /nfs/dbraw/zinc/88/34/01/1328883401.db2.gz NFCDHQPWLPLIIU-YWVDXFKGSA-N 0 0 339.386 3.132 10 10 EGCERN COc1ccc(N(C)Cc2ccncc2Br)c(OC)c1 ZINC000859204879 1328945052 /nfs/dbraw/zinc/94/50/52/1328945052.db2.gz OHTRLDCDHIGMKX-UHFFFAOYSA-N 0 0 337.217 3.498 10 10 EGCERN C[C@H](NS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000919116936 1322029189 /nfs/dbraw/zinc/02/91/89/1322029189.db2.gz ARNSMUCLGPNIHP-UXEPBGEESA-N 0 0 335.400 3.068 10 10 EGCERN CC(C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1cccnc1 ZINC000921366515 1322301866 /nfs/dbraw/zinc/30/18/66/1322301866.db2.gz NZWNRVLLMXDJIK-AWEZNQCLSA-N 0 0 331.391 3.165 10 10 EGCERN C[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCS1 ZINC000921447605 1322317258 /nfs/dbraw/zinc/31/72/58/1322317258.db2.gz NMOOTRURLVTUHG-MNOVXSKESA-N 0 0 331.532 3.209 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000922691214 1322591777 /nfs/dbraw/zinc/59/17/77/1322591777.db2.gz FPUAKXYDSYSFEM-PWSUYJOCSA-N 0 0 325.277 3.260 10 10 EGCERN Cc1ccc(C(=O)N2CCCC[C@@H](C3CCOCC3)C2)c(O)c1O ZINC000922781730 1322616558 /nfs/dbraw/zinc/61/65/58/1322616558.db2.gz SKRJKUXLPXWSRQ-OAHLLOKOSA-N 0 0 333.428 3.075 10 10 EGCERN Cc1ccc(C(=O)N2CCCC[C@H](C3CCOCC3)C2)c(O)c1O ZINC000922781729 1322616793 /nfs/dbraw/zinc/61/67/93/1322616793.db2.gz SKRJKUXLPXWSRQ-HNNXBMFYSA-N 0 0 333.428 3.075 10 10 EGCERN CNc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000859735952 1329067318 /nfs/dbraw/zinc/06/73/18/1329067318.db2.gz ZRCHWKBFEIGXQJ-MRXNPFEDSA-N 0 0 340.427 3.137 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000931256370 1329079723 /nfs/dbraw/zinc/07/97/23/1329079723.db2.gz XWEXGWFAGONWKY-CLFYSBASSA-N 0 0 338.363 3.344 10 10 EGCERN CC[C@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794887 1325304431 /nfs/dbraw/zinc/30/44/31/1325304431.db2.gz VWZFGDOENOYOFJ-BBRMVZONSA-N 0 0 338.879 3.245 10 10 EGCERN O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)N1Cc2cccc(O)c2C1 ZINC000926957050 1327795980 /nfs/dbraw/zinc/79/59/80/1327795980.db2.gz MZEAWISZUUJAAW-NVXWUHKLSA-N 0 0 344.361 3.466 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000927071232 1327841527 /nfs/dbraw/zinc/84/15/27/1327841527.db2.gz XMXBGYSEYHEYDO-PNPHSEOMSA-N 0 0 333.428 3.035 10 10 EGCERN COc1ccc(CNC(=O)N[C@@H]2CCSC3(CCC3)C2)c(O)c1 ZINC000927273560 1327947262 /nfs/dbraw/zinc/94/72/62/1327947262.db2.gz SDAZGHREOIOOEI-CYBMUJFWSA-N 0 0 336.457 3.018 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000927453395 1328031724 /nfs/dbraw/zinc/03/17/24/1328031724.db2.gz KROKPQHDPKXSID-LRDDRELGSA-N 0 0 338.835 3.050 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1cccc([C@H]2CCCOC2)c1 ZINC000928705491 1328403630 /nfs/dbraw/zinc/40/36/30/1328403630.db2.gz KOHADZKHNWUGRG-HNNXBMFYSA-N 0 0 329.371 3.355 10 10 EGCERN CC[C@H](C)c1cccc(NC(=O)C(=O)NCCc2ccc(N)cc2)c1 ZINC000861503843 1329422792 /nfs/dbraw/zinc/42/27/92/1329422792.db2.gz OMUWZUBXRGIADQ-AWEZNQCLSA-N 0 0 339.439 3.080 10 10 EGCERN C[C@@H](CC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000861687357 1329436360 /nfs/dbraw/zinc/43/63/60/1329436360.db2.gz MTGWNNWKNGJCOI-ZETCQYMHSA-N 0 0 340.139 3.359 10 10 EGCERN CC1CCC(OCC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862026325 1329455836 /nfs/dbraw/zinc/45/58/36/1329455836.db2.gz KGYRNJVVHBXWMP-UHFFFAOYSA-N 0 0 328.412 3.152 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCCCC(=O)C1 ZINC000862026396 1329455897 /nfs/dbraw/zinc/45/58/97/1329455897.db2.gz MYYIRHNJHMSKAC-CQSZACIVSA-N 0 0 326.396 3.096 10 10 EGCERN CC[C@H](OC1CCCC1)C(=O)NCc1ccc2cccnc2c1O ZINC000862028444 1329456056 /nfs/dbraw/zinc/45/60/56/1329456056.db2.gz ZOHBVEUGJUQSIA-INIZCTEOSA-N 0 0 328.412 3.294 10 10 EGCERN CCC1(CC)CN(Cc2cc(F)c(N(C)C)cc2F)CC[S@]1=O ZINC000862328835 1329475604 /nfs/dbraw/zinc/47/56/04/1329475604.db2.gz SSGDSXAYZBATOO-HSZRJFAPSA-N 0 0 344.471 3.154 10 10 EGCERN COc1cc(CN2CCO[C@@H](CCF)C2)c(O)c(C(C)(C)C)c1 ZINC000862531334 1329492974 /nfs/dbraw/zinc/49/29/74/1329492974.db2.gz YYPNISMSOKEINX-AWEZNQCLSA-N 0 0 325.424 3.259 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)C1(C(F)F)CCC1 ZINC000864918775 1329651615 /nfs/dbraw/zinc/65/16/15/1329651615.db2.gz KZSNYDRTOMYQSN-UHFFFAOYSA-N 0 0 340.439 3.291 10 10 EGCERN O=C1N=C(N2CCCCC2)S/C1=C\c1cnc(Cl)c(F)c1 ZINC000865217710 1329676675 /nfs/dbraw/zinc/67/66/75/1329676675.db2.gz NOUFCNKLVMPZKP-XFFZJAGNSA-N 0 0 325.796 3.330 10 10 EGCERN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000865953014 1329754035 /nfs/dbraw/zinc/75/40/35/1329754035.db2.gz APDBLTYLXPLPST-RTBURBONSA-N 0 0 344.499 3.194 10 10 EGCERN C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866574555 1330128684 /nfs/dbraw/zinc/12/86/84/1330128684.db2.gz XCBSLCMYKCFRSQ-GFCCVEGCSA-N 0 0 340.383 3.080 10 10 EGCERN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000866633268 1330136078 /nfs/dbraw/zinc/13/60/78/1330136078.db2.gz HDRZQSIYEXWBIE-IQJOONFLSA-N 0 0 334.229 3.494 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cnn(CC3CCCC3)c2)c1 ZINC000866765073 1330147758 /nfs/dbraw/zinc/14/77/58/1330147758.db2.gz QUGUPBWCUYLCNX-ZDUSSCGKSA-N 0 0 343.427 3.279 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2c(OC)ccc(F)c2OC)c1 ZINC000866763527 1330147775 /nfs/dbraw/zinc/14/77/75/1330147775.db2.gz FDEIEXDQHXXOBF-JTQLQIEISA-N 0 0 349.358 3.048 10 10 EGCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)O1 ZINC000867223150 1330186058 /nfs/dbraw/zinc/18/60/58/1330186058.db2.gz VBUCOEZMMNZAHB-KBXCAEBGSA-N 0 0 339.391 3.188 10 10 EGCERN Cc1cn2cc(CC(=O)N[C@H](C)c3ccc(N(C)C)cc3)nc2s1 ZINC000867504072 1330206517 /nfs/dbraw/zinc/20/65/17/1330206517.db2.gz RUSJEFOCLUHBDZ-CYBMUJFWSA-N 0 0 342.468 3.190 10 10 EGCERN C[C@H](NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1)c1ccccc1O ZINC000867836315 1330222916 /nfs/dbraw/zinc/22/29/16/1330222916.db2.gz NZBQDQYARFVSKY-NWDGAFQWSA-N 0 0 333.400 3.198 10 10 EGCERN CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867834449 1330223057 /nfs/dbraw/zinc/22/30/57/1330223057.db2.gz ILFXCOZHRNCSLI-LLVKDONJSA-N 0 0 335.416 3.444 10 10 EGCERN COc1ccc(CCNC(=O)N[C@@H](C)c2ccccc2O)c(OC)c1 ZINC000868170681 1330258362 /nfs/dbraw/zinc/25/83/62/1330258362.db2.gz JQNBTMPSGXGIKS-ZDUSSCGKSA-N 0 0 344.411 3.012 10 10 EGCERN COc1ccccc1O[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868322351 1330270589 /nfs/dbraw/zinc/27/05/89/1330270589.db2.gz CZJBZBSNQXEAHR-KGLIPLIRSA-N 0 0 344.411 3.229 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC12CCOCC2 ZINC000869029654 1330397208 /nfs/dbraw/zinc/39/72/08/1330397208.db2.gz YKWKBJUEKJTCFS-KRWDZBQOSA-N 0 0 345.487 3.067 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2ccnn2C)cc1 ZINC000869175920 1330428842 /nfs/dbraw/zinc/42/88/42/1330428842.db2.gz LMGONWPRMITTHS-HNNXBMFYSA-N 0 0 343.475 3.169 10 10 EGCERN CC1(C)CO[C@@H](COC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000869472808 1330507170 /nfs/dbraw/zinc/50/71/70/1330507170.db2.gz TVNCYVJJILEOIP-CQSZACIVSA-N 0 0 346.452 3.288 10 10 EGCERN CCOC(=O)c1cnc(N(CC)Cc2ccc(N(C)C)cc2)s1 ZINC001185726744 1387785079 /nfs/dbraw/zinc/78/50/79/1387785079.db2.gz SZLOMQDLOZOXHR-UHFFFAOYSA-N 0 0 333.457 3.412 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001118156105 1371139917 /nfs/dbraw/zinc/13/99/17/1371139917.db2.gz ZTGRZJJAQOQNKR-IAGOWNOFSA-N 0 0 334.435 3.010 10 10 EGCERN Cc1cc(C(=O)OC[C@@H]2COC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC001123011142 1372360942 /nfs/dbraw/zinc/36/09/42/1372360942.db2.gz WDVHCVKNIYFIDF-HNNXBMFYSA-N 0 0 327.380 3.122 10 10 EGCERN C[C@H](NC(=O)N1CC[C@H]1[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC001123548539 1372503888 /nfs/dbraw/zinc/50/38/88/1372503888.db2.gz ASKRMJNJXWLSMB-ZVZYQTTQSA-N 0 0 331.460 3.024 10 10 EGCERN COc1cc(C(=O)NCc2cccc(O)c2O)ccc1OCC(C)C ZINC001123978238 1372644467 /nfs/dbraw/zinc/64/44/67/1372644467.db2.gz RTVGTKHHIFNRBU-UHFFFAOYSA-N 0 0 345.395 3.071 10 10 EGCERN Cc1conc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001125090144 1372752363 /nfs/dbraw/zinc/75/23/63/1372752363.db2.gz OAMAFGKCIXWFMC-UHFFFAOYSA-N 0 0 332.315 3.011 10 10 EGCERN CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001125256901 1372764358 /nfs/dbraw/zinc/76/43/58/1372764358.db2.gz PCDFCHPBCLYCSV-JXFKEZNVSA-N 0 0 348.462 3.495 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ncc3cc(Cl)ccn32)cc1F ZINC001125469481 1372792889 /nfs/dbraw/zinc/79/28/89/1372792889.db2.gz QOXFDUXCZXODBQ-UHFFFAOYSA-N 0 0 346.793 3.123 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC001130745489 1373587775 /nfs/dbraw/zinc/58/77/75/1373587775.db2.gz YMXLMXIGLYBTNF-UXHICEINSA-N 0 0 338.451 3.394 10 10 EGCERN COc1ccc(N2CCN(C(=O)/C=C(\C)C(C)(C)C)CC2)c(OC)c1 ZINC001131806903 1373813732 /nfs/dbraw/zinc/81/37/32/1373813732.db2.gz XJNVGDJYZLJSJW-FYWRMAATSA-N 0 0 346.471 3.345 10 10 EGCERN CC[C@](C)(CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001228766668 1375669399 /nfs/dbraw/zinc/66/93/99/1375669399.db2.gz RZDGMTSZTUOZQI-DNVCBOLYSA-N 0 0 335.492 3.106 10 10 EGCERN C[C@@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)n1cccn1 ZINC001135800695 1377214460 /nfs/dbraw/zinc/21/44/60/1377214460.db2.gz LZFZYRFYNIYJID-INIZCTEOSA-N 0 0 326.444 3.093 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccsc2C(=O)OC)cc1 ZINC001136300503 1377373715 /nfs/dbraw/zinc/37/37/15/1377373715.db2.gz TYRVLGJNJRGWRS-UHFFFAOYSA-N 0 0 346.452 3.311 10 10 EGCERN CC[C@H](C)[C@H](O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137355604 1377531784 /nfs/dbraw/zinc/53/17/84/1377531784.db2.gz NTSBXGXCRLARKI-IFXJQAMLSA-N 0 0 328.456 3.160 10 10 EGCERN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(O)c1O)[C@@H]2C ZINC001138144689 1377684981 /nfs/dbraw/zinc/68/49/81/1377684981.db2.gz GHKNHJDXAKQNOF-NWDGAFQWSA-N 0 0 327.380 3.254 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2nncs2)cc1 ZINC001139617526 1377919402 /nfs/dbraw/zinc/91/94/02/1377919402.db2.gz SQPDWCKRDAUAIW-WAPJZHGLSA-N 0 0 339.376 3.268 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(O)c1F ZINC001142419993 1378441586 /nfs/dbraw/zinc/44/15/86/1378441586.db2.gz YGEDREBBSLVRMJ-ZDUSSCGKSA-N 0 0 330.403 3.267 10 10 EGCERN CN1CCCc2cc(CNC(=O)Cc3nc(C4CC4)cs3)ccc21 ZINC001142465166 1378444811 /nfs/dbraw/zinc/44/48/11/1378444811.db2.gz DKMIDVSOMHFNKD-UHFFFAOYSA-N 0 0 341.480 3.262 10 10 EGCERN CC(C)n1ncc2cc(C=CC(=O)N(C)c3ccsc3)c(=O)[nH]c21 ZINC001143920707 1378660823 /nfs/dbraw/zinc/66/08/23/1378660823.db2.gz OJJAEXRFJOEEJJ-SNAWJCMRSA-N 0 0 342.424 3.043 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCn2cccc2)c1 ZINC001148185691 1379130321 /nfs/dbraw/zinc/13/03/21/1379130321.db2.gz YJPFTFSGMMXSRO-UHFFFAOYSA-N 0 0 335.407 3.138 10 10 EGCERN Cc1cc(CC(=O)NCc2cccc(CO)c2)c(C)n1-c1ccccc1 ZINC001150657239 1379590991 /nfs/dbraw/zinc/59/09/91/1379590991.db2.gz PFJFQRWNQBGBAY-UHFFFAOYSA-N 0 0 348.446 3.445 10 10 EGCERN C[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1O ZINC001151892606 1379811569 /nfs/dbraw/zinc/81/15/69/1379811569.db2.gz TZFBUTXEMXJKMA-ZDUSSCGKSA-N 0 0 337.379 3.252 10 10 EGCERN C[C@H](NC(=O)c1cc(Br)cc(C=O)c1)c1ccccc1O ZINC001151899259 1379813105 /nfs/dbraw/zinc/81/31/05/1379813105.db2.gz BKXZVBMADUUKHV-JTQLQIEISA-N 0 0 348.196 3.458 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H](F)C3)CC2)cc1F ZINC001327991215 1388639863 /nfs/dbraw/zinc/63/98/63/1388639863.db2.gz DYSZULHOIUAUAD-KBPBESRZSA-N 0 0 338.398 3.011 10 10 EGCERN CCCn1cc(CNC(=O)c2sccc2-n2c(C)ccc2C)nn1 ZINC001153944805 1380160142 /nfs/dbraw/zinc/16/01/42/1380160142.db2.gz QRYBRWJDPDDWSY-UHFFFAOYSA-N 0 0 343.456 3.087 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(F)c2cccnc12 ZINC001154026873 1380183780 /nfs/dbraw/zinc/18/37/80/1380183780.db2.gz QISNLDLLBBKEMI-NSHDSACASA-N 0 0 340.354 3.146 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H](CO)[C@H]2C)c(C)n1-c1ccccc1C ZINC001155891710 1380503009 /nfs/dbraw/zinc/50/30/09/1380503009.db2.gz CGYMHYMOGPTNJK-WBVHZDCISA-N 0 0 326.440 3.245 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)cccc2F)c2ccc(F)cc2n1 ZINC001156164200 1380534329 /nfs/dbraw/zinc/53/43/29/1380534329.db2.gz RIHBZKGZLUKNOD-UHFFFAOYSA-N 0 0 328.318 3.457 10 10 EGCERN COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001156812911 1380643720 /nfs/dbraw/zinc/64/37/20/1380643720.db2.gz VAJWQXOICOZOIP-JKSUJKDBSA-N 0 0 338.367 3.144 10 10 EGCERN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001157009999 1380751570 /nfs/dbraw/zinc/75/15/70/1380751570.db2.gz XNYGMLRNHCIZKQ-INIZCTEOSA-N 0 0 329.396 3.259 10 10 EGCERN Cc1cc(CC(=O)N[C@H](C)c2noc(C)n2)c(C)n1-c1ccccc1 ZINC001328299390 1388719189 /nfs/dbraw/zinc/71/91/89/1388719189.db2.gz VEYTXYXXAKQYPC-CYBMUJFWSA-N 0 0 338.411 3.205 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)c1nccc(N)n1 ZINC001159441978 1381795365 /nfs/dbraw/zinc/79/53/65/1381795365.db2.gz PQWUHAGOHNWAJX-LBPRGKRZSA-N 0 0 341.440 3.019 10 10 EGCERN Cc1ccc(/C=C/C(=O)N2CCCc3c4ncn(C)c4ccc32)cn1 ZINC001159677370 1381865509 /nfs/dbraw/zinc/86/55/09/1381865509.db2.gz OWMDVTDABFGBME-JXMROGBWSA-N 0 0 332.407 3.269 10 10 EGCERN C[C@]1(CNC(=O)c2c(F)ccc(O)c2O)CCCc2ccccc21 ZINC001161108285 1382299631 /nfs/dbraw/zinc/29/96/31/1382299631.db2.gz MVLQQOABOVHNKD-LJQANCHMSA-N 0 0 329.371 3.261 10 10 EGCERN COC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)cc1 ZINC001294050529 1382411882 /nfs/dbraw/zinc/41/18/82/1382411882.db2.gz LURKJMYANOUDCZ-HNNXBMFYSA-N 0 0 344.346 3.106 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2nsnc21 ZINC001294868367 1382517410 /nfs/dbraw/zinc/51/74/10/1382517410.db2.gz DQADGCPLNXLALU-UHFFFAOYSA-N 0 0 339.420 3.206 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCCCCO ZINC001163210344 1382993299 /nfs/dbraw/zinc/99/32/99/1382993299.db2.gz OQKYOJVGYPSNHL-UHFFFAOYSA-N 0 0 328.368 3.400 10 10 EGCERN COc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc(Cl)c1OC ZINC001163994803 1383144166 /nfs/dbraw/zinc/14/41/66/1383144166.db2.gz LYSWTNCFIYZOHG-XQRVVYSFSA-N 0 0 349.770 3.420 10 10 EGCERN Cc1cc(C(=O)NCc2cccc(Br)c2O)cc(C)n1 ZINC001297439755 1383161906 /nfs/dbraw/zinc/16/19/06/1383161906.db2.gz JCNAHSSXMYOIGS-UHFFFAOYSA-N 0 0 335.201 3.097 10 10 EGCERN COC(=O)[C@@H](CCF)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001164506695 1383194456 /nfs/dbraw/zinc/19/44/56/1383194456.db2.gz DXJUZNLIMDJWDP-MRXNPFEDSA-N 0 0 346.402 3.034 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]2(O)CCC[C@@H]2C)cc1 ZINC001298562480 1383410224 /nfs/dbraw/zinc/41/02/24/1383410224.db2.gz HMHHFGJNCOWZLT-XOBRGWDASA-N 0 0 326.440 3.375 10 10 EGCERN C[C@H](Cc1cccc(F)c1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001299160414 1383477997 /nfs/dbraw/zinc/47/79/97/1383477997.db2.gz JMQKSCPWFCYFAX-FNOHHLHBSA-N 0 0 329.371 3.340 10 10 EGCERN Cc1cc(F)c(C(=O)NCc2ccc3cccnc3c2O)c(F)c1 ZINC001299727211 1383624848 /nfs/dbraw/zinc/62/48/48/1383624848.db2.gz ZRYGTEUXSOBQNL-UHFFFAOYSA-N 0 0 328.318 3.457 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCOc2c(F)cccc21 ZINC001300396423 1383662036 /nfs/dbraw/zinc/66/20/36/1383662036.db2.gz RZNZTTSGHFTWLV-ZDUSSCGKSA-N 0 0 335.762 3.367 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1cc(-c2cccnc2)on1 ZINC001300398274 1383662306 /nfs/dbraw/zinc/66/23/06/1383662306.db2.gz DSAJAZRQCNTZGK-UHFFFAOYSA-N 0 0 329.743 3.026 10 10 EGCERN COc1cnc(F)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC001301833078 1383732358 /nfs/dbraw/zinc/73/23/58/1383732358.db2.gz GFHHVIDXLVMVLT-UHFFFAOYSA-N 0 0 340.358 3.284 10 10 EGCERN Cc1cc(CNC(=O)c2cc(C=O)cn2C)c(C)n1-c1ccccc1 ZINC001302267962 1383746735 /nfs/dbraw/zinc/74/67/35/1383746735.db2.gz RWEAIJGDLTYWTD-UHFFFAOYSA-N 0 0 335.407 3.175 10 10 EGCERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1c(O)cccc1O ZINC001304050552 1383825386 /nfs/dbraw/zinc/82/53/86/1383825386.db2.gz NQOPYXRCAXEYRS-LLVKDONJSA-N 0 0 335.787 3.143 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1c(F)cc(C(F)(F)F)cc1F ZINC001304053517 1383825401 /nfs/dbraw/zinc/82/54/01/1383825401.db2.gz MVAUQTAJUFAOPA-UHFFFAOYSA-N 0 0 347.239 3.325 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)NC3C(C)(C)C3(C)C)C2)cc1 ZINC001312903360 1384378912 /nfs/dbraw/zinc/37/89/12/1384378912.db2.gz XYDIDPRSOMVTIT-AWEZNQCLSA-N 0 0 345.487 3.255 10 10 EGCERN Cc1cc2c(CCNC(=O)NCc3ccccc3O)c[nH]c2cc1F ZINC001313085062 1384394652 /nfs/dbraw/zinc/39/46/52/1384394652.db2.gz NBPOCBFKIXSPTE-UHFFFAOYSA-N 0 0 341.386 3.363 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001329032891 1388938468 /nfs/dbraw/zinc/93/84/68/1388938468.db2.gz YMRKFEILMAKCGE-KWCYVHTRSA-N 0 0 336.382 3.159 10 10 EGCERN CN(C)c1ccc(CNC(=O)CN(c2ccccc2)C2CCC2)cc1 ZINC001175284534 1385240076 /nfs/dbraw/zinc/24/00/76/1385240076.db2.gz MUOHIRGONRTMCC-UHFFFAOYSA-N 0 0 337.467 3.428 10 10 EGCERN Cc1sc(-n2cccc2)c(C(=O)NCc2cccc(O)c2O)c1C ZINC001176566528 1385627533 /nfs/dbraw/zinc/62/75/33/1385627533.db2.gz ZRXBOMRIDYYEFL-UHFFFAOYSA-N 0 0 342.420 3.497 10 10 EGCERN Cc1ccc2c(CC(=O)NCc3c(O)cccc3O)coc2c1C ZINC001178905701 1386344055 /nfs/dbraw/zinc/34/40/55/1386344055.db2.gz QWSIYMROWICUTA-UHFFFAOYSA-N 0 0 325.364 3.320 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C[C@@H](C)n3cccc3)CC2)cc1 ZINC001320394243 1386598318 /nfs/dbraw/zinc/59/83/18/1386598318.db2.gz NDQVAPVUHGIKOA-QGZVFWFLSA-N 0 0 341.455 3.187 10 10 EGCERN Cn1cc(-c2cccc(C(=O)NCc3cccc(Cl)c3O)c2)cn1 ZINC001180409626 1386787898 /nfs/dbraw/zinc/78/78/98/1386787898.db2.gz FRXPWZOSEVTYKQ-UHFFFAOYSA-N 0 0 341.798 3.376 10 10 EGCERN COc1ccc2[nH]c3c(c2c1)CCN(Cc1cc(OC)ccc1O)C3 ZINC001332021629 1389949320 /nfs/dbraw/zinc/94/93/20/1389949320.db2.gz OCJKPCUJRJKRMH-UHFFFAOYSA-N 0 0 338.407 3.449 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@H](CCCO)c1ccccc1 ZINC001347054258 1390997033 /nfs/dbraw/zinc/99/70/33/1390997033.db2.gz VEHKJUZHSWJVKX-MRXNPFEDSA-N 0 0 333.815 3.218 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001347621138 1391101276 /nfs/dbraw/zinc/10/12/76/1391101276.db2.gz XCNUYRQTHMYGJH-CABCVRRESA-N 0 0 330.388 3.023 10 10 EGCERN C[C@H]1CC(=O)CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349106724 1391302998 /nfs/dbraw/zinc/30/29/98/1391302998.db2.gz QAAAOCFTYMABHL-KXBFYZLASA-N 0 0 328.456 3.251 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@]12CCOC2 ZINC001351004457 1391579002 /nfs/dbraw/zinc/57/90/02/1391579002.db2.gz GLYVGSZLVFWWQZ-QGZVFWFLSA-N 0 0 333.409 3.098 10 10 EGCERN Cc1cc(-c2nc(C(=O)NCc3ccc(N(C)C)cc3)co2)ccn1 ZINC001352215741 1391773299 /nfs/dbraw/zinc/77/32/99/1391773299.db2.gz PMZCFMWBKFBUNB-UHFFFAOYSA-N 0 0 336.395 3.041 10 10 EGCERN COc1ccc2cc(C(=O)NCc3ccc(N(C)C)cc3)cnc2c1 ZINC001352215087 1391773343 /nfs/dbraw/zinc/77/33/43/1391773343.db2.gz IYJQDBKOFFLAAY-UHFFFAOYSA-N 0 0 335.407 3.239 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@H](C)O1 ZINC001354577967 1392153885 /nfs/dbraw/zinc/15/38/85/1392153885.db2.gz TZAWPSKWINVSBK-BWACUDIHSA-N 0 0 349.386 3.214 10 10 EGCERN CC[C@H](C)c1nnc(N(C)OC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694008061 1406041820 /nfs/dbraw/zinc/04/18/20/1406041820.db2.gz NAKOCFMLVORQES-LBPRGKRZSA-N 0 0 335.427 3.043 10 10 EGCERN COCC(C)(C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001697722234 1406130753 /nfs/dbraw/zinc/13/07/53/1406130753.db2.gz HSMOKJIVEPPABZ-UHFFFAOYSA-N 0 0 346.475 3.416 10 10 EGCERN COC[C@@H](C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001730441635 1427178767 /nfs/dbraw/zinc/17/87/67/1427178767.db2.gz FHSSOWSALROGBM-AWEZNQCLSA-N 0 0 332.448 3.026 10 10 EGCERN CCn1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)n1 ZINC000033514779 212947565 /nfs/dbraw/zinc/94/75/65/212947565.db2.gz JIOQGWFSYDUEOG-QINSGFPZSA-N 0 0 343.477 3.347 10 10 EGCERN COCCNC(=O)NCc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000009969755 211137502 /nfs/dbraw/zinc/13/75/02/211137502.db2.gz UGXBFUHUKQPPTK-UHFFFAOYSA-N 0 0 335.835 3.193 10 10 EGCERN CCNc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737974 276271108 /nfs/dbraw/zinc/27/11/08/276271108.db2.gz WFVXDFDRYMBSOR-UHFFFAOYSA-N 0 0 349.390 3.308 10 10 EGCERN Cc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c(O)c1O ZINC000189842317 455245590 /nfs/dbraw/zinc/24/55/90/455245590.db2.gz AXNNXSCZHKVADD-UHFFFAOYSA-N 0 0 339.391 3.115 10 10 EGCERN Oc1ccc(F)cc1CN[C@@H](c1ncon1)c1ccc(Cl)cc1 ZINC000180897446 455261963 /nfs/dbraw/zinc/26/19/63/455261963.db2.gz FIGUKLNBENRAHV-OAHLLOKOSA-N 0 0 333.750 3.447 10 10 EGCERN O=C(c1ccccc1)c1cccc(NC=C2SC(=S)NC2=O)c1 ZINC000006529212 452950839 /nfs/dbraw/zinc/95/08/39/452950839.db2.gz PLIXJRSVSDXJGF-UVTDQMKNSA-N 0 0 340.429 3.319 10 10 EGCERN NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000006589122 452957012 /nfs/dbraw/zinc/95/70/12/452957012.db2.gz LSEFVWVTOYJMCV-UHFFFAOYSA-N 0 0 341.411 3.315 10 10 EGCERN COCCNc1cc(N(C)C)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006738017 452980227 /nfs/dbraw/zinc/98/02/27/452980227.db2.gz OWYXVLLWVYQTAS-UHFFFAOYSA-N 0 0 337.379 3.164 10 10 EGCERN CN(Cc1nc2c(s1)CCCC2)Cc1cc2c(cc1O)OCO2 ZINC000083115244 453938891 /nfs/dbraw/zinc/93/88/91/453938891.db2.gz NFSIZVVJHYJLHN-UHFFFAOYSA-N 0 0 332.425 3.088 10 10 EGCERN CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O ZINC000096023654 454263891 /nfs/dbraw/zinc/26/38/91/454263891.db2.gz BIRAIVMEZFVLJK-VBRUWADQSA-N 0 0 348.439 3.050 10 10 biogenic EGCERN O=C(NC1CCC(O)CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000060063942 454267335 /nfs/dbraw/zinc/26/73/35/454267335.db2.gz ASFLJICVOCTLLQ-UHFFFAOYSA-N 0 0 344.411 3.001 10 10 EGCERN COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000185066018 455494933 /nfs/dbraw/zinc/49/49/33/455494933.db2.gz GXQIVFSTRMADHS-LLVKDONJSA-N 0 0 335.375 3.408 10 10 EGCERN COC[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000171074219 455025424 /nfs/dbraw/zinc/02/54/24/455025424.db2.gz FYFVGHITIJXKPS-LJQANCHMSA-N 0 0 341.455 3.282 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179467335 455049919 /nfs/dbraw/zinc/04/99/19/455049919.db2.gz UJNYBLVAMXYOLM-LBPRGKRZSA-N 0 0 327.215 3.128 10 10 EGCERN COc1ccc(N2CCCN(C(=O)N[C@@H](C)CC3CC3)CC2)cc1 ZINC000171855272 455098844 /nfs/dbraw/zinc/09/88/44/455098844.db2.gz LZKPIBPUMODAOQ-HNNXBMFYSA-N 0 0 331.460 3.106 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000118803007 455112494 /nfs/dbraw/zinc/11/24/94/455112494.db2.gz NKICFJAAQRVUFN-UHFFFAOYSA-N 0 0 328.416 3.297 10 10 EGCERN Cc1ccc(C)c([C@H]2CN(C(=O)Cc3ccc(N)cc3)[C@H](C)CO2)c1 ZINC000237529944 455191900 /nfs/dbraw/zinc/19/19/00/455191900.db2.gz LSTNXZHWDFTGCL-OXQOHEQNSA-N 0 0 338.451 3.417 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000265170850 455302369 /nfs/dbraw/zinc/30/23/69/455302369.db2.gz BKWIYAYEVJYYDQ-WZUFQYTHSA-N 0 0 348.399 3.175 10 10 EGCERN O=C1Nc2ccccc2[C@@H]1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190695968 455369096 /nfs/dbraw/zinc/36/90/96/455369096.db2.gz ZTGWZFIFADDPAJ-NSHDSACASA-N 0 0 334.778 3.400 10 10 EGCERN COc1cccc(CNC(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c1O ZINC000181927799 455401026 /nfs/dbraw/zinc/40/10/26/455401026.db2.gz HJIFGYNSMNOQFT-SCLBCKFNSA-N 0 0 340.423 3.442 10 10 EGCERN COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1OC ZINC000159932068 455416469 /nfs/dbraw/zinc/41/64/69/455416469.db2.gz AHFFZMCXDPDGFE-VBKZILBWSA-N 0 0 343.423 3.371 10 10 EGCERN COc1cc(O)c(CN2CCO[C@@H](c3cccs3)C2)cc1OC ZINC000160413091 455455824 /nfs/dbraw/zinc/45/58/24/455455824.db2.gz WNIGEUFZHBTTAZ-MRXNPFEDSA-N 0 0 335.425 3.044 10 10 EGCERN Cn1ccnc1CC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191340888 455478105 /nfs/dbraw/zinc/47/81/05/455478105.db2.gz VLJOUPGWXJHHSJ-UHFFFAOYSA-N 0 0 337.826 3.373 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247282288 455582657 /nfs/dbraw/zinc/58/26/57/455582657.db2.gz HBXHOOWJZNHPFC-IPMKNSEASA-N 0 0 343.471 3.044 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000185762693 455617090 /nfs/dbraw/zinc/61/70/90/455617090.db2.gz NTPBXWXXYNVGQE-XJKSGUPXSA-N 0 0 334.435 3.363 10 10 EGCERN CN(C)c1ccc(CN(C)Cc2cnnn2Cc2ccccc2)cc1 ZINC000292556049 455696556 /nfs/dbraw/zinc/69/65/56/455696556.db2.gz NGLAFZGWDNWQEU-UHFFFAOYSA-N 0 0 335.455 3.024 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccc(F)c(F)c1 ZINC000186415238 455763282 /nfs/dbraw/zinc/76/32/82/455763282.db2.gz INJGWCYRRUSULS-GFCCVEGCSA-N 0 0 349.377 3.446 10 10 EGCERN COc1ccc(N2CCN(c3nnc(C(C)C)s3)CC2)cc1F ZINC000269265970 455824215 /nfs/dbraw/zinc/82/42/15/455824215.db2.gz BPSHOABRISAQAU-UHFFFAOYSA-N 0 0 336.436 3.136 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H](CO)C[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000253432760 455849081 /nfs/dbraw/zinc/84/90/81/455849081.db2.gz NRJGMDCGIXXCPC-BBRMVZONSA-N 0 0 344.430 3.466 10 10 EGCERN COc1cccc(CNC(=O)CO[C@H]2CCCc3ccccc32)c1O ZINC000280667664 456026920 /nfs/dbraw/zinc/02/69/20/456026920.db2.gz GAGSDSMDPGHDGJ-KRWDZBQOSA-N 0 0 341.407 3.111 10 10 EGCERN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287583000 456072700 /nfs/dbraw/zinc/07/27/00/456072700.db2.gz HMZDMFWAWCKEAP-MFKMUULPSA-N 0 0 331.243 3.361 10 10 EGCERN CN1CCCc2cc(CNC(=O)N3CC[C@]4(C)[C@H](C3)C4(F)F)ccc21 ZINC000291897265 456792271 /nfs/dbraw/zinc/79/22/71/456792271.db2.gz PPMVKRIUSKETPW-FUHWJXTLSA-N 0 0 349.425 3.256 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000378421937 457395097 /nfs/dbraw/zinc/39/50/97/457395097.db2.gz JQKNMHQLQJQANJ-IUODEOHRSA-N 0 0 332.227 3.127 10 10 EGCERN CC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(F)cc1[O-] ZINC000375788767 458065534 /nfs/dbraw/zinc/06/55/34/458065534.db2.gz JUAQQSILSNGWDT-INIZCTEOSA-N 0 0 326.375 3.353 10 10 EGCERN CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CC1 ZINC000435625410 458175881 /nfs/dbraw/zinc/17/58/81/458175881.db2.gz IAUVHTWBQFKWMA-UHFFFAOYSA-N 0 0 339.483 3.419 10 10 EGCERN Cc1cc(-c2nc([C@H]3C[C@H]3C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000547181343 458704745 /nfs/dbraw/zinc/70/47/45/458704745.db2.gz AORMZYWGHSJKNK-MFKMUULPSA-N 0 0 339.420 3.385 10 10 EGCERN CCc1nn(C)c(N2CC=C(c3ccc(Cl)nc3)CC2)c1[N+](=O)[O-] ZINC000378400136 547818522 /nfs/dbraw/zinc/81/85/22/547818522.db2.gz IIUJTVFVVHSGAG-UHFFFAOYSA-N 0 0 347.806 3.233 10 10 EGCERN COCCC[N@H+](Cc1ccncc1)Cc1cc2c(cc1O)CCC2 ZINC000730255247 574962663 /nfs/dbraw/zinc/96/26/63/574962663.db2.gz ZSBKCLWENQVGEM-UHFFFAOYSA-N 0 0 326.440 3.315 10 10 EGCERN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000732352664 575261344 /nfs/dbraw/zinc/26/13/44/575261344.db2.gz AXWAKDXALJAMDC-VXGBXAGGSA-N 0 0 345.420 3.367 10 10 EGCERN COc1cccc(O)c1CNCc1nc(-c2ccncc2)cs1 ZINC000733331591 575328854 /nfs/dbraw/zinc/32/88/54/575328854.db2.gz DFPHEVBJVPKRSO-UHFFFAOYSA-N 0 0 327.409 3.209 10 10 EGCERN C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)n1cccc1 ZINC000735519386 575678023 /nfs/dbraw/zinc/67/80/23/575678023.db2.gz QUGYJASXAKTEJI-WMZOPIPTSA-N 0 0 342.439 3.353 10 10 EGCERN Cc1cc(CC(=O)NCC[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000736188560 575909738 /nfs/dbraw/zinc/90/97/38/575909738.db2.gz COSRMRJXIBVBRA-CYBMUJFWSA-N 0 0 334.847 3.177 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000740909335 576636000 /nfs/dbraw/zinc/63/60/00/576636000.db2.gz KTAHYZBLTCTOAQ-WOJBJXKFSA-N 0 0 333.435 3.418 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCc2ccccc2C1 ZINC000741081941 576653698 /nfs/dbraw/zinc/65/36/98/576653698.db2.gz AWQZIJLNSCHZCC-HXUWFJFHSA-N 0 0 347.462 3.420 10 10 EGCERN CC(C)[C@H](O)CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000741083031 576653952 /nfs/dbraw/zinc/65/39/52/576653952.db2.gz KMWNPOCYZHYDJS-LJQANCHMSA-N 0 0 347.503 3.272 10 10 EGCERN Cc1noc(C)c1COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000012592365 1291133306 /nfs/dbraw/zinc/13/33/06/1291133306.db2.gz UISFZXJHDUFEGV-AUWJEWJLSA-N 0 0 346.433 3.359 10 10 EGCERN O=C(NCCCC1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000077624210 1292475729 /nfs/dbraw/zinc/47/57/29/1292475729.db2.gz UIPSOEYIKZPSCS-QGZVFWFLSA-N 0 0 332.444 3.273 10 10 EGCERN COc1cc(/C=C\C(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000096912035 1292954808 /nfs/dbraw/zinc/95/48/08/1292954808.db2.gz YRBWQJRDCTYJRX-YFHOEESVSA-N 0 0 340.423 3.099 10 10 EGCERN O=C(NCCCSc1nccs1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000154660772 1294065698 /nfs/dbraw/zinc/06/56/98/1294065698.db2.gz MMRRYBQOVRYBAG-STQMWFEESA-N 0 0 325.503 3.457 10 10 EGCERN COc1cccc(CNC(=O)Nc2cccc(N(C)C)c2C)c1O ZINC000180146683 1294864490 /nfs/dbraw/zinc/86/44/90/1294864490.db2.gz JFYFHBRLOHMVLJ-UHFFFAOYSA-N 0 0 329.400 3.097 10 10 EGCERN CO[C@H]1CC[C@@H](C)N(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000870709925 1296034617 /nfs/dbraw/zinc/03/46/17/1296034617.db2.gz WZFPAUBQEXXIPM-CJNGLKHVSA-N 0 0 327.428 3.129 10 10 EGCERN O=C(N1Cc2cccc(O)c2C1)C1(c2cccc(F)c2)CCOCC1 ZINC000871200333 1296269675 /nfs/dbraw/zinc/26/96/75/1296269675.db2.gz AQONDUNANIPZDZ-UHFFFAOYSA-N 0 0 341.382 3.122 10 10 EGCERN CCOC(=O)c1cccc(COc2ccc(N3CCCC3)cc2)n1 ZINC000871736613 1296509112 /nfs/dbraw/zinc/50/91/12/1296509112.db2.gz RIKDPXHUNZJYCD-UHFFFAOYSA-N 0 0 326.396 3.438 10 10 EGCERN Cn1c(-c2ccccc2)cnc1SC[C@@H](O)C[C@](C)(O)C1CC1 ZINC000871967733 1296634995 /nfs/dbraw/zinc/63/49/95/1296634995.db2.gz FGUUQKFELREVLB-YJBOKZPZSA-N 0 0 332.469 3.091 10 10 EGCERN O=C(C[C@@H]1C[C@H]1C1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878780955 1300188682 /nfs/dbraw/zinc/18/86/82/1300188682.db2.gz PZGWOGBVWQTSTN-BZSNNMDCSA-N 0 0 329.440 3.336 10 10 EGCERN C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000895477016 1309359031 /nfs/dbraw/zinc/35/90/31/1309359031.db2.gz PGUMFKYXRBGOBY-PELKAZGASA-N 0 0 325.277 3.212 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC3(CCCCO3)CC2)c1[O-] ZINC000895657884 1309450789 /nfs/dbraw/zinc/45/07/89/1309450789.db2.gz GIYLZGSVBDWQAU-UHFFFAOYSA-N 0 0 340.807 3.489 10 10 EGCERN C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc(F)c3[O-])O2)CO1 ZINC000895823278 1309537524 /nfs/dbraw/zinc/53/75/24/1309537524.db2.gz ZCTPGDCUWGKHDL-CKUKBARFSA-N 0 0 329.799 3.001 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000896131943 1309714709 /nfs/dbraw/zinc/71/47/09/1309714709.db2.gz DAROJLQLNIDVJG-JTQLQIEISA-N 0 0 343.408 3.055 10 10 EGCERN CC1(C)CO[C@H](CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000896270073 1309778395 /nfs/dbraw/zinc/77/83/95/1309778395.db2.gz NQYKRNZFXDUGBL-IAGOWNOFSA-N 0 0 347.455 3.105 10 10 EGCERN COCC1(C)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897305785 1310282618 /nfs/dbraw/zinc/28/26/18/1310282618.db2.gz FGGRAIQKCDYYLV-UHFFFAOYSA-N 0 0 335.425 3.201 10 10 EGCERN CCc1nc(C)c(CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC000897832037 1310483543 /nfs/dbraw/zinc/48/35/43/1310483543.db2.gz FBUVXDSNVODPDP-UHFFFAOYSA-N 0 0 332.381 3.101 10 10 EGCERN CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897935910 1310521945 /nfs/dbraw/zinc/52/19/45/1310521945.db2.gz MNTGNCKIIHJOFR-BXUZGUMPSA-N 0 0 335.425 3.390 10 10 EGCERN CO[C@](C)([C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000897974628 1310534768 /nfs/dbraw/zinc/53/47/68/1310534768.db2.gz WMNATFSLWSWLPT-VVVCHXIZSA-N 0 0 335.425 3.246 10 10 EGCERN Cc1cn(C(C)(C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000897983831 1310539384 /nfs/dbraw/zinc/53/93/84/1310539384.db2.gz MOENYIYXKKXIAB-HNNXBMFYSA-N 0 0 342.487 3.048 10 10 EGCERN CC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](CC)CO1 ZINC000898273230 1310656981 /nfs/dbraw/zinc/65/69/81/1310656981.db2.gz UEVQGVOXICBJAT-RYUDHWBXSA-N 0 0 335.425 3.342 10 10 EGCERN COCC1(C2CCC2)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898677381 1310821128 /nfs/dbraw/zinc/82/11/28/1310821128.db2.gz PDIRJVLNVWJKKC-UHFFFAOYSA-N 0 0 347.436 3.201 10 10 EGCERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCOC1 ZINC000899222807 1310986000 /nfs/dbraw/zinc/98/60/00/1310986000.db2.gz NTNNUORQDYVURJ-ZYHUDNBSSA-N 0 0 335.425 3.248 10 10 EGCERN O=C(Nc1ccc(N2CCCC2=O)cc1)N1Cc2cccc(O)c2C1 ZINC000929346046 1328575386 /nfs/dbraw/zinc/57/53/86/1328575386.db2.gz MWMSGWTUYJDVCM-UHFFFAOYSA-N 0 0 337.379 3.067 10 10 EGCERN CC[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1[O-] ZINC000857877539 1328612812 /nfs/dbraw/zinc/61/28/12/1328612812.db2.gz OUEZNSJOKDMCFB-AEFFLSMTSA-N 0 0 328.387 3.285 10 10 EGCERN CC(C)c1ncc2c(n1)CCN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000857877947 1328613459 /nfs/dbraw/zinc/61/34/59/1328613459.db2.gz QAMRSYCVHHCUKH-UHFFFAOYSA-N 0 0 328.435 3.363 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858022220 1328663083 /nfs/dbraw/zinc/66/30/83/1328663083.db2.gz MVDABDAYOBUYQA-HNNXBMFYSA-N 0 0 344.436 3.410 10 10 EGCERN Cc1cccc2c1C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000858460068 1328767634 /nfs/dbraw/zinc/76/76/34/1328767634.db2.gz RTTVFYVJPRIJOP-STQMWFEESA-N 0 0 328.368 3.263 10 10 EGCERN C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000858604023 1328807649 /nfs/dbraw/zinc/80/76/49/1328807649.db2.gz ZCNNPINZQRBBBT-HZMBPMFUSA-N 0 0 342.361 3.215 10 10 EGCERN Cc1ccc(C)c(C2=NO[C@H](C(=O)N3Cc4cccc(O)c4C3)C2)c1 ZINC000913726752 1319109426 /nfs/dbraw/zinc/10/94/26/1319109426.db2.gz WGTUJEFHMWDETA-IBGZPJMESA-N 0 0 336.391 3.044 10 10 EGCERN COc1ccc(C2CC2)cc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000914395562 1319318458 /nfs/dbraw/zinc/31/84/58/1319318458.db2.gz JVIKTEBBESXOPL-OQFOIZHKSA-N 0 0 339.391 3.313 10 10 EGCERN COC(=O)c1cnc(SC[C@@H]2CC[C@@H](C(F)(F)F)O2)s1 ZINC000917779061 1319872062 /nfs/dbraw/zinc/87/20/62/1319872062.db2.gz WZUJPIRJDLKXJH-XPUUQOCRSA-N 0 0 327.349 3.132 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)OCCc3ccccc3)C2)cc1 ZINC000859217692 1328948815 /nfs/dbraw/zinc/94/88/15/1328948815.db2.gz OEJWPFVIBTWGFJ-QGZVFWFLSA-N 0 0 340.423 3.243 10 10 EGCERN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCS1 ZINC000919918740 1322117166 /nfs/dbraw/zinc/11/71/66/1322117166.db2.gz QVQRFPIOCZRLRR-GOEBONIOSA-N 0 0 331.485 3.146 10 10 EGCERN Cc1cc(C(=O)CN(C)CC2(C)COC2)c(C)n1-c1ccc(F)cc1 ZINC000859565455 1329018983 /nfs/dbraw/zinc/01/89/83/1329018983.db2.gz JZHZEHDEEWFXFP-UHFFFAOYSA-N 0 0 344.430 3.384 10 10 EGCERN FC(F)(F)Cn1ccnc1CNCc1ccc2c(c1)CCCO2 ZINC000921667116 1322374948 /nfs/dbraw/zinc/37/49/48/1322374948.db2.gz AYCLRWVLOQIQJH-UHFFFAOYSA-N 0 0 325.334 3.060 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000921767586 1322395128 /nfs/dbraw/zinc/39/51/28/1322395128.db2.gz QNNRTWQVVSMGQA-RDTXWAMCSA-N 0 0 344.386 3.108 10 10 EGCERN C[C@@H](NC(=O)N[C@H]1c2ccccc2OC[C@@H]1F)c1ccccc1O ZINC000925133811 1325059258 /nfs/dbraw/zinc/05/92/58/1325059258.db2.gz DUHDZDRMNAROQQ-WHCBVINPSA-N 0 0 330.359 3.224 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000926680397 1327662846 /nfs/dbraw/zinc/66/28/46/1327662846.db2.gz MQQNAXFUPSSXCI-GXTWGEPZSA-N 0 0 329.366 3.092 10 10 EGCERN Cc1cc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])nn1C ZINC000926908777 1327770736 /nfs/dbraw/zinc/77/07/36/1327770736.db2.gz CKVQWFFTPYLPLA-NSHDSACASA-N 0 0 327.350 3.346 10 10 EGCERN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(Cl)c1[O-] ZINC000927037369 1327827086 /nfs/dbraw/zinc/82/70/86/1327827086.db2.gz DHNFBWSXVASGJQ-UKAJUAJCSA-N 0 0 343.876 3.195 10 10 EGCERN COc1cc(NC(=O)NCc2cc(C)ccc2O)c(C)c(OC)c1 ZINC000861066173 1329384675 /nfs/dbraw/zinc/38/46/75/1329384675.db2.gz HQHQTVQYQSTWSM-UHFFFAOYSA-N 0 0 330.384 3.348 10 10 EGCERN O=C(NCc1nc2c(s1)CCC2)c1cc2cc(O)c(O)cc2s1 ZINC000927651939 1328091471 /nfs/dbraw/zinc/09/14/71/1328091471.db2.gz VHMWASBGBZORNU-UHFFFAOYSA-N 0 0 346.433 3.188 10 10 EGCERN O=C(NCC[C@@H]1OCCc2ccccc21)NCc1c(O)cccc1F ZINC000927672593 1328099989 /nfs/dbraw/zinc/09/99/89/1328099989.db2.gz FWKBLQRNNGDNHZ-SFHVURJKSA-N 0 0 344.386 3.035 10 10 EGCERN COc1ccc(CNC(=O)NCc2cc(C)ccc2O)c(C)c1OC ZINC000927729924 1328123062 /nfs/dbraw/zinc/12/30/62/1328123062.db2.gz VRMQJZNBRZUKKK-UHFFFAOYSA-N 0 0 344.411 3.026 10 10 EGCERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862027168 1329455872 /nfs/dbraw/zinc/45/58/72/1329455872.db2.gz LAOBUSLZJOVIKQ-LLVKDONJSA-N 0 0 338.411 3.090 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)c3ccco3)C2)cc1 ZINC000862158241 1329463305 /nfs/dbraw/zinc/46/33/05/1329463305.db2.gz FGNPUOKIGGPWOD-LSDHHAIUSA-N 0 0 328.412 3.177 10 10 EGCERN Cc1ccc(N(CC2CC2)C(=O)c2ccnc3c2CC(=O)N3)cc1F ZINC000863602465 1329566101 /nfs/dbraw/zinc/56/61/01/1329566101.db2.gz IKMOPGXKZSACLC-UHFFFAOYSA-N 0 0 339.370 3.081 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cc1 ZINC000864634979 1329632833 /nfs/dbraw/zinc/63/28/33/1329632833.db2.gz VOTGRBWRSQCVRB-JWTNVVGKSA-N 0 0 342.483 3.497 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000864919571 1329651580 /nfs/dbraw/zinc/65/15/80/1329651580.db2.gz ZQUPNWCFLKEZOQ-LPHOPBHVSA-N 0 0 330.497 3.436 10 10 EGCERN Oc1cccc2c1CN(C(=S)Nc1ccc3c(c1)OCCCO3)C2 ZINC000865258792 1329680548 /nfs/dbraw/zinc/68/05/48/1329680548.db2.gz NYNINIVIRKQEOX-UHFFFAOYSA-N 0 0 342.420 3.266 10 10 EGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@]12C[C@H]1CCCC2 ZINC000865952065 1329754160 /nfs/dbraw/zinc/75/41/60/1329754160.db2.gz AOEZUSKKZKSYSF-WIYYLYMNSA-N 0 0 342.483 3.092 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCC(O)(C3CCC3)CC2)c1O ZINC000932820964 1329843920 /nfs/dbraw/zinc/84/39/20/1329843920.db2.gz WCAMWLBQTUKEBS-UHFFFAOYSA-N 0 0 337.847 3.375 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000866598572 1330131777 /nfs/dbraw/zinc/13/17/77/1330131777.db2.gz IIGMWCFLPSCKEP-CQSZACIVSA-N 0 0 327.428 3.223 10 10 EGCERN C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000866613373 1330133338 /nfs/dbraw/zinc/13/33/38/1330133338.db2.gz HSMMGWZVTCYSSY-BDAKNGLRSA-N 0 0 342.212 3.439 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)[C@H](OCC)C1CCOCC1 ZINC000868109816 1330250417 /nfs/dbraw/zinc/25/04/17/1330250417.db2.gz KQGSIOGOWRICGT-LJQANCHMSA-N 0 0 349.471 3.353 10 10 EGCERN Nc1ccc(NC(=O)N2CCC(Oc3ccccc3F)CC2)cc1 ZINC000868163129 1330257241 /nfs/dbraw/zinc/25/72/41/1330257241.db2.gz MVNLRVNHOHNOPE-UHFFFAOYSA-N 0 0 329.375 3.483 10 10 EGCERN CCCOc1ncccc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868258390 1330265343 /nfs/dbraw/zinc/26/53/43/1330265343.db2.gz YFTYBPMRDMPPPX-ZDUSSCGKSA-N 0 0 329.400 3.136 10 10 EGCERN COc1ccc(O[C@@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000868321802 1330270616 /nfs/dbraw/zinc/27/06/16/1330270616.db2.gz SLUVWEQUKHBAOH-KBPBESRZSA-N 0 0 344.411 3.229 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)cc1 ZINC001323192131 1387309306 /nfs/dbraw/zinc/30/93/06/1387309306.db2.gz DZXSHPBJAPWQNW-UHFFFAOYSA-N 0 0 342.361 3.076 10 10 EGCERN CCn1cnc2c1ncnc2N(C)Cc1ccc(N2CCCC2)cc1 ZINC001184711186 1387516095 /nfs/dbraw/zinc/51/60/95/1387516095.db2.gz QYIIWQACWYHCET-UHFFFAOYSA-N 0 0 336.443 3.083 10 10 EGCERN CCOC(=O)c1cnc(CC)nc1NCc1ccc(N(C)C)cc1C ZINC001185331654 1387685452 /nfs/dbraw/zinc/68/54/52/1387685452.db2.gz QEBBSYPMYQKMPE-UHFFFAOYSA-N 0 0 342.443 3.202 10 10 EGCERN CC(C)c1nn(C)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325029718 1387878058 /nfs/dbraw/zinc/87/80/58/1387878058.db2.gz QIJRONHWYXANTR-UHFFFAOYSA-N 0 0 345.466 3.047 10 10 EGCERN COC(=O)COc1ccc(N(C)Cc2cc(O)ccc2Cl)cc1 ZINC001193308729 1367996949 /nfs/dbraw/zinc/99/69/49/1367996949.db2.gz GURRZWVPJNRAGZ-UHFFFAOYSA-N 0 0 335.787 3.234 10 10 EGCERN COC(=O)c1cc(C)cc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001126004967 1372909038 /nfs/dbraw/zinc/90/90/38/1372909038.db2.gz SYSPPWXBUYFJOY-UHFFFAOYSA-N 0 0 340.423 3.086 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc2cccnc2c1 ZINC001126082729 1372929493 /nfs/dbraw/zinc/92/94/93/1372929493.db2.gz QMLZKINSMHDIAX-UHFFFAOYSA-N 0 0 333.435 3.468 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001126441049 1372965497 /nfs/dbraw/zinc/96/54/97/1372965497.db2.gz PQDWCNMQGPHPEJ-MRXNPFEDSA-N 0 0 342.826 3.471 10 10 EGCERN COc1ncc(/C=C\C(=O)N2CCCc3c(Cl)ccc(C)c32)cn1 ZINC001129637007 1373405914 /nfs/dbraw/zinc/40/59/14/1373405914.db2.gz QERWHNUJEPQOLK-VURMDHGXSA-N 0 0 343.814 3.440 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2cc3c(o2)CCCC3)cc1 ZINC001130547835 1373558767 /nfs/dbraw/zinc/55/87/67/1373558767.db2.gz QZEUDSZJFWVVMN-UHFFFAOYSA-N 0 0 342.439 3.375 10 10 EGCERN CCC[C@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OCC ZINC001230195760 1375964663 /nfs/dbraw/zinc/96/46/63/1375964663.db2.gz QMBNFPZWKCSTFT-QFBILLFUSA-N 0 0 349.519 3.496 10 10 EGCERN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccc1N(C)C ZINC001135862352 1377238687 /nfs/dbraw/zinc/23/86/87/1377238687.db2.gz LHZFIJBWOQBKTN-UHFFFAOYSA-N 0 0 325.372 3.476 10 10 EGCERN CC(=O)Nc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1C ZINC001136150247 1377358385 /nfs/dbraw/zinc/35/83/85/1377358385.db2.gz NAZAIQFMUXVBEB-UHFFFAOYSA-N 0 0 339.355 3.368 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2-c2ccco2)cc1 ZINC001136299960 1377373987 /nfs/dbraw/zinc/37/39/87/1377373987.db2.gz BFSGFEVBZFWNCV-UHFFFAOYSA-N 0 0 338.411 3.446 10 10 EGCERN CC[C@H](COC)NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001136947100 1377444166 /nfs/dbraw/zinc/44/41/66/1377444166.db2.gz XFPQDZABKWNRIH-GOSISDBHSA-N 0 0 342.439 3.370 10 10 EGCERN COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137381054 1377536582 /nfs/dbraw/zinc/53/65/82/1377536582.db2.gz HYHPFHXRDFFMBP-HNNXBMFYSA-N 0 0 338.367 3.275 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)c1cc2ccccc2cc1F ZINC001137464883 1377552154 /nfs/dbraw/zinc/55/21/54/1377552154.db2.gz UPGGHNFDUQFVMG-UHFFFAOYSA-N 0 0 325.339 3.363 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)nc(NC3CC3)c2)c1 ZINC001137473424 1377554047 /nfs/dbraw/zinc/55/40/47/1377554047.db2.gz JGZNRHNHFOUAHH-GFCCVEGCSA-N 0 0 341.411 3.170 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2ncccc2-c2ccccn2)c1 ZINC001137473305 1377554056 /nfs/dbraw/zinc/55/40/56/1377554056.db2.gz FMSOFZABEGUIKD-ZDUSSCGKSA-N 0 0 349.390 3.349 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(Cl)cc(OC)c1 ZINC001140198615 1378030633 /nfs/dbraw/zinc/03/06/33/1378030633.db2.gz LCLUIFKXIZIKRB-UHFFFAOYSA-N 0 0 340.803 3.470 10 10 EGCERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1ccc(O)c(O)c1 ZINC001141728938 1378366643 /nfs/dbraw/zinc/36/66/43/1378366643.db2.gz KFQRHCUSTFBJRX-AWEZNQCLSA-N 0 0 329.396 3.372 10 10 EGCERN Cc1cc(Cl)nc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142731297 1378482675 /nfs/dbraw/zinc/48/26/75/1378482675.db2.gz SJGQUPGLOFGHGN-UHFFFAOYSA-N 0 0 327.771 3.227 10 10 EGCERN Cc1ccc(C[C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001142783507 1378486542 /nfs/dbraw/zinc/48/65/42/1378486542.db2.gz YRZIMBGIEOTFSQ-GOSISDBHSA-N 0 0 339.435 3.430 10 10 EGCERN O=C(CNC(=O)C1=CC(=O)CS1)c1c(Cl)cccc1Cl ZINC001143612753 1378625504 /nfs/dbraw/zinc/62/55/04/1378625504.db2.gz LJHWRWSJFOZIRA-UHFFFAOYSA-N 0 0 330.192 3.373 10 10 EGCERN COC(=O)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001152880351 1379990096 /nfs/dbraw/zinc/99/00/96/1379990096.db2.gz ZKGKTPQUEHPERW-CYBMUJFWSA-N 0 0 328.412 3.084 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(F)c2cccnc12 ZINC001154026872 1380183760 /nfs/dbraw/zinc/18/37/60/1380183760.db2.gz QISNLDLLBBKEMI-LLVKDONJSA-N 0 0 340.354 3.146 10 10 EGCERN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001155869188 1380500870 /nfs/dbraw/zinc/50/08/70/1380500870.db2.gz JVILEPIODAPCSF-UHFFFAOYSA-N 0 0 342.403 3.142 10 10 EGCERN Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041319 1380758287 /nfs/dbraw/zinc/75/82/87/1380758287.db2.gz DAMGTPMTDUCQBR-LBPRGKRZSA-N 0 0 337.423 3.380 10 10 EGCERN Cc1cc(CNC(=O)[C@]2(C)CC(C)=NO2)c(C)n1-c1ccccc1 ZINC001287661661 1381320822 /nfs/dbraw/zinc/32/08/22/1381320822.db2.gz VNZNPTUBPPKVOT-IBGZPJMESA-N 0 0 325.412 3.265 10 10 EGCERN Cc1cc(CC(=O)N[C@@H](C)c2noc(C)n2)c(C)n1-c1ccccc1 ZINC001328299399 1388719337 /nfs/dbraw/zinc/71/93/37/1388719337.db2.gz VEYTXYXXAKQYPC-ZDUSSCGKSA-N 0 0 338.411 3.205 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)OC)cc1 ZINC001291711211 1382151790 /nfs/dbraw/zinc/15/17/90/1382151790.db2.gz OHFYGKOPPMCECS-ZWKOTPCHSA-N 0 0 346.471 3.128 10 10 EGCERN CCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001294278679 1382434561 /nfs/dbraw/zinc/43/45/61/1382434561.db2.gz MZIOHSZJVCMGPU-MRXNPFEDSA-N 0 0 344.459 3.314 10 10 EGCERN Cc1cccc(COCC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC001294868344 1382517069 /nfs/dbraw/zinc/51/70/69/1382517069.db2.gz DIULVUZHMJRKCP-UHFFFAOYSA-N 0 0 339.435 3.412 10 10 EGCERN CCC(=O)N1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC001162495487 1382772880 /nfs/dbraw/zinc/77/28/80/1382772880.db2.gz JQUQAAIDVCNPQS-UHFFFAOYSA-N 0 0 339.439 3.054 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(Cl)c1N ZINC001297562617 1383185382 /nfs/dbraw/zinc/18/53/82/1383185382.db2.gz OITUGRMWEUUMJN-UHFFFAOYSA-N 0 0 339.819 3.352 10 10 EGCERN COc1ccccc1-c1nnc(NC(=O)C2=CC(=O)CS2)s1 ZINC001298289182 1383388845 /nfs/dbraw/zinc/38/88/45/1383388845.db2.gz QYNPYLHKALWMKU-UHFFFAOYSA-N 0 0 333.394 3.233 10 10 EGCERN Cc1ccc2oc(C(=O)NCc3ccc4cccnc4c3O)cc2n1 ZINC001299721792 1383622837 /nfs/dbraw/zinc/62/28/37/1383622837.db2.gz RHKMPEKAPSOAAV-UHFFFAOYSA-N 0 0 333.347 3.320 10 10 EGCERN CCN(CC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccc(OC)cc1 ZINC001167834318 1383753288 /nfs/dbraw/zinc/75/32/88/1383753288.db2.gz FDLFPKXSYWFIKO-VQIMIIECSA-N 0 0 348.487 3.233 10 10 EGCERN C[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O ZINC001302538398 1383757266 /nfs/dbraw/zinc/75/72/66/1383757266.db2.gz PWUDDCZJDZMUOR-JTQLQIEISA-N 0 0 334.759 3.374 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)CCCO1 ZINC001302578860 1383758415 /nfs/dbraw/zinc/75/84/15/1383758415.db2.gz KRLXUTRPIRMZFF-LJQANCHMSA-N 0 0 344.459 3.313 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccc(N2CCCCCC2)cc1 ZINC001304053545 1383825180 /nfs/dbraw/zinc/82/51/80/1383825180.db2.gz NGTURMCYPNUWFA-UHFFFAOYSA-N 0 0 340.423 3.408 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CC(c2ccccc2)=NO1 ZINC001304090131 1383828680 /nfs/dbraw/zinc/82/86/80/1383828680.db2.gz YMBFJWQMCSLLDR-HXUWFJFHSA-N 0 0 346.386 3.355 10 10 EGCERN C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304089923 1383829275 /nfs/dbraw/zinc/82/92/75/1383829275.db2.gz QXWOAIKSCHWEDS-ZUOKHONESA-N 0 0 349.386 3.390 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001304817225 1383857106 /nfs/dbraw/zinc/85/71/06/1383857106.db2.gz KAEXGNAMDQVQNG-UONOGXRCSA-N 0 0 345.466 3.322 10 10 EGCERN CN(C)c1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001306243673 1383885054 /nfs/dbraw/zinc/88/50/54/1383885054.db2.gz QBHFULDPMOJSSS-UHFFFAOYSA-N 0 0 329.381 3.026 10 10 EGCERN O=c1nc(Cl)cc(N2CC=C(c3c[nH]c4ncccc34)CC2)[nH]1 ZINC001306923340 1383921367 /nfs/dbraw/zinc/92/13/67/1383921367.db2.gz RSZIUSAWFREAMO-UHFFFAOYSA-N 0 0 327.775 3.006 10 10 EGCERN C[C@H]1C[C@@H]1N(CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC001307838297 1384040174 /nfs/dbraw/zinc/04/01/74/1384040174.db2.gz TUABEGSCRXXHBZ-JXFKEZNVSA-N 0 0 337.467 3.284 10 10 EGCERN COc1ccc(N(CCc2nnn(C(C)(C)C)n2)CC(C)C)cc1 ZINC001307850347 1384042750 /nfs/dbraw/zinc/04/27/50/1384042750.db2.gz PEXQWFZJUODBHO-UHFFFAOYSA-N 0 0 331.464 3.142 10 10 EGCERN CCn1nnc(C)c1CN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001307864429 1384044818 /nfs/dbraw/zinc/04/48/18/1384044818.db2.gz XJXICBFQNSVPQX-MRXNPFEDSA-N 0 0 328.460 3.450 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC001313072740 1384392986 /nfs/dbraw/zinc/39/29/86/1384392986.db2.gz ACISOOMTTLZFJR-UHFFFAOYSA-N 0 0 338.329 3.465 10 10 EGCERN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001171717044 1384611795 /nfs/dbraw/zinc/61/17/95/1384611795.db2.gz HZWNLYANHYZUIZ-CYBMUJFWSA-N 0 0 343.383 3.370 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1c[nH]nc1-c1ccoc1 ZINC001179032444 1386383644 /nfs/dbraw/zinc/38/36/44/1386383644.db2.gz HDPZLRNBZRQQII-UHFFFAOYSA-N 0 0 333.347 3.459 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)cccc3F)C2)cc1 ZINC001330885558 1389554603 /nfs/dbraw/zinc/55/46/03/1389554603.db2.gz DFUCKLMCEBFFHB-CQSZACIVSA-N 0 0 328.387 3.151 10 10 EGCERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)n1[C@@H]1CCOC1 ZINC001334909992 1390618639 /nfs/dbraw/zinc/61/86/39/1390618639.db2.gz WUNLWTCCDFYTSL-GOSISDBHSA-N 0 0 341.455 3.062 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@@H](CCCO)c1ccccc1 ZINC001347054257 1390997029 /nfs/dbraw/zinc/99/70/29/1390997029.db2.gz VEHKJUZHSWJVKX-INIZCTEOSA-N 0 0 333.815 3.218 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2[C@H]2CCCOC2)cc1 ZINC001347291124 1391048458 /nfs/dbraw/zinc/04/84/58/1391048458.db2.gz TXFXCYCNPAGWDX-PKOBYXMFSA-N 0 0 345.487 3.243 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001347621141 1391101287 /nfs/dbraw/zinc/10/12/87/1391101287.db2.gz XCNUYRQTHMYGJH-LSDHHAIUSA-N 0 0 330.388 3.023 10 10 EGCERN O=C(CCCCC(=O)c1ccc(F)cc1)NCc1cccc(O)c1O ZINC001349079236 1391300970 /nfs/dbraw/zinc/30/09/70/1391300970.db2.gz MJLUZFKBUWPWRR-UHFFFAOYSA-N 0 0 345.370 3.296 10 10 EGCERN O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CSCC(=O)N1 ZINC001349192125 1391309782 /nfs/dbraw/zinc/30/97/82/1391309782.db2.gz VKOGNIZBTGZESP-HNNXBMFYSA-N 0 0 340.408 3.272 10 10 EGCERN CN(C)c1ccc(/C=C/C[NH2+]C[C@H](CCC(=O)[O-])C(F)(F)F)cc1 ZINC001350654533 1391499771 /nfs/dbraw/zinc/49/97/71/1391499771.db2.gz ZXTJOEZCLNOLKA-XGACYXMMSA-N 0 0 344.377 3.399 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1SCCCS1 ZINC001351164608 1391606119 /nfs/dbraw/zinc/60/61/19/1391606119.db2.gz WZRSVWVLMWLTTO-UHFFFAOYSA-N 0 0 336.526 3.441 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C\c1nccs1 ZINC001352626072 1391825356 /nfs/dbraw/zinc/82/53/56/1391825356.db2.gz HVBGXMSBZQYKMM-HJWRWDBZSA-N 0 0 327.453 3.415 10 10 EGCERN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2ccncc2c1 ZINC001352631944 1391826416 /nfs/dbraw/zinc/82/64/16/1391826416.db2.gz ATYMXGKVCVWINT-UHFFFAOYSA-N 0 0 333.391 3.324 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC001353617015 1392051845 /nfs/dbraw/zinc/05/18/45/1392051845.db2.gz MBKHDXJOTXNFJP-LLVKDONJSA-N 0 0 343.408 3.403 10 10 EGCERN C/C(=C\C(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21)c1cnccn1 ZINC001354553353 1392152285 /nfs/dbraw/zinc/15/22/85/1392152285.db2.gz BTRHBJHUDIQUFC-YTRUQHMWSA-N 0 0 329.787 3.347 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492800696 1396324376 /nfs/dbraw/zinc/32/43/76/1396324376.db2.gz JSUFBEABKLCHKW-CHWSQXEVSA-N 0 0 331.439 3.075 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CCCCCO ZINC001711095624 1417477859 /nfs/dbraw/zinc/47/78/59/1417477859.db2.gz SAARFWCNFRMLFA-UHFFFAOYSA-N 0 0 346.475 3.080 10 10 EGCERN Cc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001724235710 1424747956 /nfs/dbraw/zinc/74/79/56/1424747956.db2.gz NLQKLLFAFLIWTB-GASCZTMLSA-N 0 0 341.503 3.492 10 10 EGCERN C[C@@H]1C[C@@H]1n1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001726490948 1427064027 /nfs/dbraw/zinc/06/40/27/1427064027.db2.gz SUCHYFMNJKINRM-BMFZPTHFSA-N 0 0 342.443 3.095 10 10 EGCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC1(C)C ZINC001747035527 1439973786 /nfs/dbraw/zinc/97/37/86/1439973786.db2.gz CJFCRVAITFHDBH-OAHLLOKOSA-N 0 0 344.459 3.203 10 10 EGCERN Cc1nnc(N2CCC3(CCC3)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001751911417 1440126601 /nfs/dbraw/zinc/12/66/01/1440126601.db2.gz KMWGROGHRNRWBT-UHFFFAOYSA-N 0 0 343.450 3.220 10 10 EGCERN CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3O ZINC000098214413 219088236 /nfs/dbraw/zinc/08/82/36/219088236.db2.gz BIRAIVMEZFVLJK-STEXWYFWSA-N 0 0 348.439 3.050 10 10 EGCERN CC[C@H](Oc1ccc(N)cc1)C(=O)c1ccc(OC)c(OC)c1OC ZINC000040353961 213292025 /nfs/dbraw/zinc/29/20/25/213292025.db2.gz AOELSEZFXYLYNJ-HNNXBMFYSA-N 0 0 345.395 3.335 10 10 EGCERN Cc1cc(CNC(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000021881170 212258377 /nfs/dbraw/zinc/25/83/77/212258377.db2.gz FNXOFDOSFQQOFH-LJQANCHMSA-N 0 0 341.455 3.381 10 10 EGCERN COC(CNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1)OC ZINC000020413304 212127269 /nfs/dbraw/zinc/12/72/69/212127269.db2.gz NLYKUROKEASJGG-UHFFFAOYSA-N 0 0 342.439 3.013 10 10 EGCERN Cc1cc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)c(C)n1C1CC1 ZINC000012813922 135698431 /nfs/dbraw/zinc/69/84/31/135698431.db2.gz WRPBXSPLTSBGQH-JXMROGBWSA-N 0 0 335.407 3.438 10 10 EGCERN CCOc1ccc(O)c(CN[C@@H](C(=O)OC)c2ccc(F)c(C)c2)c1 ZINC000189604345 455222193 /nfs/dbraw/zinc/22/21/93/455222193.db2.gz GNGZUEFWZXCLBW-GOSISDBHSA-N 0 0 347.386 3.242 10 10 EGCERN Nc1cccc2c1C(=O)c1ccc(NC(=O)c3ccccc3)cc1C2=O ZINC000027468345 453817110 /nfs/dbraw/zinc/81/71/10/453817110.db2.gz LVKIZGPVJVCLIB-UHFFFAOYSA-N 0 0 342.354 3.297 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000089782870 454197856 /nfs/dbraw/zinc/19/78/56/454197856.db2.gz QDYJQBCDOKCQII-ROUUACIJSA-N 0 0 346.358 3.449 10 10 EGCERN COc1cccc(-n2c(C)cc(C(=O)NC[C@@H]3CCCOC3)c2C)c1 ZINC000058425993 454202258 /nfs/dbraw/zinc/20/22/58/454202258.db2.gz OZIBLMHGKGJMCE-INIZCTEOSA-N 0 0 342.439 3.259 10 10 EGCERN COc1cccc(-n2c(C)cc(C(=O)NC[C@H]3CCCOC3)c2C)c1 ZINC000058425997 454202736 /nfs/dbraw/zinc/20/27/36/454202736.db2.gz OZIBLMHGKGJMCE-MRXNPFEDSA-N 0 0 342.439 3.259 10 10 EGCERN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130863396 454222958 /nfs/dbraw/zinc/22/29/58/454222958.db2.gz SKPWPLMZTTVAOV-GJZGRUSLSA-N 0 0 327.476 3.482 10 10 EGCERN C[C@H](NC(=O)c1ccc(O)c(O)c1)c1nc(-c2cccnc2)cs1 ZINC000095997797 454257764 /nfs/dbraw/zinc/25/77/64/454257764.db2.gz NGHFFFIRMFRLJQ-JTQLQIEISA-N 0 0 341.392 3.107 10 10 EGCERN Cc1cnc(CC[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000093807185 454736872 /nfs/dbraw/zinc/73/68/72/454736872.db2.gz UXDWXIQIEQQTGT-UHFFFAOYSA-N 0 0 341.820 3.393 10 10 EGCERN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCn3nc(COC)nc32)cc1 ZINC000125176423 454802239 /nfs/dbraw/zinc/80/22/39/454802239.db2.gz FNGJWDXVPZZELA-RHSMWYFYSA-N 0 0 343.475 3.066 10 10 EGCERN COc1cc(N(C)Cc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000125690814 454839168 /nfs/dbraw/zinc/83/91/68/454839168.db2.gz DYRIRFOBNDXQHS-UHFFFAOYSA-N 0 0 332.356 3.257 10 10 EGCERN O=C(C[C@H]1CCCc2ccccc21)NCCc1ccc(O)c(O)c1 ZINC000178425056 454954266 /nfs/dbraw/zinc/95/42/66/454954266.db2.gz NWROUQXWZRJCOQ-MRXNPFEDSA-N 0 0 325.408 3.267 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cnn3c2CCCC3)cc1F ZINC000128153509 455029869 /nfs/dbraw/zinc/02/98/69/455029869.db2.gz IPWDWBMAHDTVNI-UHFFFAOYSA-N 0 0 344.434 3.135 10 10 EGCERN COc1ccc2c(c1)CCN2C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155681946 455031076 /nfs/dbraw/zinc/03/10/76/455031076.db2.gz GVLRHBYRFAZLSR-UHFFFAOYSA-N 0 0 349.434 3.344 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@@H]2CCOc3ccccc32)cc1F ZINC000117635418 455090612 /nfs/dbraw/zinc/09/06/12/455090612.db2.gz OVYDCBYNBYGVGV-HNNXBMFYSA-N 0 0 342.414 3.464 10 10 EGCERN CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156504788 455125890 /nfs/dbraw/zinc/12/58/90/455125890.db2.gz BTHSFEFFSHAGSD-BXKDBHETSA-N 0 0 341.242 3.346 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N2CCCCCC2)cc1 ZINC000180497840 455182921 /nfs/dbraw/zinc/18/29/21/455182921.db2.gz BYKRFACCBUYNOG-FXAWDEMLSA-N 0 0 331.504 3.048 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000277754804 455655927 /nfs/dbraw/zinc/65/59/27/455655927.db2.gz NVYWBJOHENPNCB-CYBMUJFWSA-N 0 0 329.366 3.237 10 10 EGCERN O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCN1Cc1ccccc1 ZINC000293830248 455797679 /nfs/dbraw/zinc/79/76/79/455797679.db2.gz DSOJDIPQONUJAB-MRXNPFEDSA-N 0 0 348.805 3.075 10 10 EGCERN CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295365518 455847081 /nfs/dbraw/zinc/84/70/81/455847081.db2.gz OCPYQZKXOQRYEM-UHFFFAOYSA-N 0 0 342.842 3.313 10 10 EGCERN Cc1nc(NCc2ccc(N(C)Cc3cccs3)cc2)nn1C ZINC000295824201 455860405 /nfs/dbraw/zinc/86/04/05/455860405.db2.gz DPGMLUJWYSIDMR-UHFFFAOYSA-N 0 0 327.457 3.434 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296244161 455890132 /nfs/dbraw/zinc/89/01/32/455890132.db2.gz CPTWKDWFTQFTKY-WPKBUWHJSA-N 0 0 343.383 3.266 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccoc2C(F)(F)F)cc1F ZINC000290162177 456256987 /nfs/dbraw/zinc/25/69/87/456256987.db2.gz MBCTUZVXJHSSIJ-UHFFFAOYSA-N 0 0 330.281 3.434 10 10 EGCERN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000301949489 456257608 /nfs/dbraw/zinc/25/76/08/456257608.db2.gz YVJXZGXCVOBTED-AWEZNQCLSA-N 0 0 338.423 3.411 10 10 EGCERN O=[N+]([O-])c1ccc(CO)cc1NCc1ccc(N2CC=CC2)cc1 ZINC000302018111 456270193 /nfs/dbraw/zinc/27/01/93/456270193.db2.gz DAEVMZRBQBMQLB-UHFFFAOYSA-N 0 0 325.368 3.075 10 10 EGCERN CCOCc1nc([C@@H](C)NCc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000290845981 456445995 /nfs/dbraw/zinc/44/59/95/456445995.db2.gz IRUOFZYMNVOCLY-MRVPVSSYSA-N 0 0 346.214 3.469 10 10 EGCERN CC[C@@H]1CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000291656284 456709122 /nfs/dbraw/zinc/70/91/22/456709122.db2.gz OGHPZJYEWYLAHW-IJEWVQPXSA-N 0 0 349.450 3.133 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2ccc(=O)[nH]c21 ZINC000342359545 457255479 /nfs/dbraw/zinc/25/54/79/457255479.db2.gz LTMJHYOPXHDKEV-UHFFFAOYSA-N 0 0 349.390 3.046 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](Cc3ccncc3)C2)cc1OC ZINC000374665156 457683185 /nfs/dbraw/zinc/68/31/85/457683185.db2.gz RXRHPISWXCSEKO-AWEZNQCLSA-N 0 0 343.383 3.076 10 10 EGCERN COc1cc(Cl)cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000372921876 458349610 /nfs/dbraw/zinc/34/96/10/458349610.db2.gz KZLZHMYTVNBUTL-OAHLLOKOSA-N 0 0 344.802 3.052 10 10 EGCERN Cc1cc(-c2nc([C@H]3C[C@@H]3C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000547181341 458704973 /nfs/dbraw/zinc/70/49/73/458704973.db2.gz AORMZYWGHSJKNK-GWCFXTLKSA-N 0 0 339.420 3.385 10 10 EGCERN C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215193 458719920 /nfs/dbraw/zinc/71/99/20/458719920.db2.gz FAXLNEYKWWSCPG-HZMBPMFUSA-N 0 0 325.250 3.090 10 10 EGCERN Oc1ccc(Oc2ccccc2I)cc1O ZINC000584633540 459777710 /nfs/dbraw/zinc/77/77/10/459777710.db2.gz WPWZXSOXZSVXEX-UHFFFAOYSA-N 0 0 328.105 3.495 10 10 EGCERN CC[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(F)cc1[O-] ZINC000527998836 459791790 /nfs/dbraw/zinc/79/17/90/459791790.db2.gz COOBYEPTYQKPEW-IRXDYDNUSA-N 0 0 328.387 3.399 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)c1O ZINC000528788799 459814284 /nfs/dbraw/zinc/81/42/84/459814284.db2.gz LOBGRSXKPQLVMS-OAHLLOKOSA-N 0 0 347.802 3.081 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc2ccncc21 ZINC000279206682 547364939 /nfs/dbraw/zinc/36/49/39/547364939.db2.gz NJIMIRJOSASKNH-UHFFFAOYSA-N 0 0 332.407 3.160 10 10 EGCERN C[C@]12CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@H]1C2(F)F ZINC000291670188 547414117 /nfs/dbraw/zinc/41/41/17/547414117.db2.gz PZVJMBDLNDMMKL-AEFFLSMTSA-N 0 0 349.425 3.474 10 10 EGCERN CC1CCN(c2ccc(CNc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000731028072 575043869 /nfs/dbraw/zinc/04/38/69/575043869.db2.gz AWHSVMKRGKSNDL-UHFFFAOYSA-N 0 0 326.400 3.260 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCc2cccc(C)n2)cc1F ZINC000731364146 575068326 /nfs/dbraw/zinc/06/83/26/575068326.db2.gz RZBHAYYXZWSEMK-UHFFFAOYSA-N 0 0 344.434 3.375 10 10 EGCERN C[C@H](NC(=O)N[C@@H](C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000733801156 575398067 /nfs/dbraw/zinc/39/80/67/575398067.db2.gz FICUCOMOXICHBP-HOTGVXAUSA-N 0 0 345.487 3.462 10 10 EGCERN CCn1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000733950176 575417909 /nfs/dbraw/zinc/41/79/09/575417909.db2.gz PGYAIKDDZGUAPY-UHFFFAOYSA-N 0 0 336.439 3.283 10 10 EGCERN CC[C@@H](CCO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000741075703 576653104 /nfs/dbraw/zinc/65/31/04/576653104.db2.gz FOXLLJJEPDZOOF-SFHVURJKSA-N 0 0 343.471 3.097 10 10 EGCERN CCc1cnc(CCNC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000743693733 576814767 /nfs/dbraw/zinc/81/47/67/576814767.db2.gz RGCDGGWOABMXSC-UHFFFAOYSA-N 0 0 346.500 3.122 10 10 EGCERN COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000054062442 1291742485 /nfs/dbraw/zinc/74/24/85/1291742485.db2.gz KBVNOCVNGHJTBZ-MRXNPFEDSA-N 0 0 339.439 3.288 10 10 EGCERN CN(C)c1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)cc1F ZINC000120492148 1293324424 /nfs/dbraw/zinc/32/44/24/1293324424.db2.gz FDJXBVQIJFFBAW-UHFFFAOYSA-N 0 0 347.478 3.116 10 10 EGCERN CC(=O)N1CCCN(C(=O)/C=C/c2cncc(C)c2)c2ccccc21 ZINC000131167737 1293681857 /nfs/dbraw/zinc/68/18/57/1293681857.db2.gz VRHBSGIEDWNOQE-CMDGGOBGSA-N 0 0 335.407 3.193 10 10 EGCERN COC(=O)c1cccc2c1CCCN2C(=O)/C=C/c1cncc(C)c1 ZINC000160618452 1294272516 /nfs/dbraw/zinc/27/25/16/1294272516.db2.gz IIVKQRMYBGXHNY-CMDGGOBGSA-N 0 0 336.391 3.169 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000173579549 1294466501 /nfs/dbraw/zinc/46/65/01/1294466501.db2.gz AYKUROAVFXWTSW-KGLIPLIRSA-N 0 0 333.334 3.099 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccn(C2CCSCC2)n1 ZINC000869941648 1295549792 /nfs/dbraw/zinc/54/97/92/1295549792.db2.gz WTKOWTAAICNSQP-RQOWECAXSA-N 0 0 345.424 3.014 10 10 EGCERN CO[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000191378229 1295674213 /nfs/dbraw/zinc/67/42/13/1295674213.db2.gz DPUAJUHZUMMKMA-HKUYNNGSSA-N 0 0 345.487 3.290 10 10 EGCERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199278 1296268721 /nfs/dbraw/zinc/26/87/21/1296268721.db2.gz VAJIWKPKMQEASU-MLGOLLRUSA-N 0 0 336.391 3.143 10 10 EGCERN O=C(CCCOc1ccc(F)cc1F)N1Cc2cccc(O)c2C1 ZINC000871200514 1296270278 /nfs/dbraw/zinc/27/02/78/1296270278.db2.gz DOSYJSNRMUJNBS-UHFFFAOYSA-N 0 0 333.334 3.372 10 10 EGCERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871203760 1296271272 /nfs/dbraw/zinc/27/12/72/1296271272.db2.gz GFPIUWCTIHSTDV-GOEBONIOSA-N 0 0 339.391 3.055 10 10 EGCERN CC(C)Cn1ncc(C(=O)N2Cc3cccc(O)c3C2)c1C1CC1 ZINC000871202837 1296271562 /nfs/dbraw/zinc/27/15/62/1296271562.db2.gz HEWMUMKDJHPTCB-UHFFFAOYSA-N 0 0 325.412 3.278 10 10 EGCERN CCOCCN(CCOCC)Cc1c(O)cccc1Br ZINC000707153392 1298225718 /nfs/dbraw/zinc/22/57/18/1298225718.db2.gz WLEBVXZACVNMIH-UHFFFAOYSA-N 0 0 346.265 3.030 10 10 EGCERN COC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715783897 1298288935 /nfs/dbraw/zinc/28/89/35/1298288935.db2.gz DTNQOYYDLNNVLJ-LBPRGKRZSA-N 0 0 332.213 3.295 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000895133448 1309203586 /nfs/dbraw/zinc/20/35/86/1309203586.db2.gz JPIQXNPVYSFQAA-UHFFFAOYSA-N 0 0 344.224 3.031 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@@H]2CCc3sccc3C2=O)cc1 ZINC000895486887 1309365458 /nfs/dbraw/zinc/36/54/58/1309365458.db2.gz AFZDHHWKIPCNTF-AWEZNQCLSA-N 0 0 342.464 3.266 10 10 EGCERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000895848477 1309557013 /nfs/dbraw/zinc/55/70/13/1309557013.db2.gz RJYRZGYFJUJHQO-SWLSCSKDSA-N 0 0 340.261 3.464 10 10 EGCERN COc1ccc2c(c1)c1c(n2Cc2nc(-c3cn[nH]c3)no2)CCCC1 ZINC000896550109 1309911852 /nfs/dbraw/zinc/91/18/52/1309911852.db2.gz RBCDCPUUGYMXSH-UHFFFAOYSA-N 0 0 349.394 3.350 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](C2CCOCC2)C1 ZINC000897210576 1310222373 /nfs/dbraw/zinc/22/23/73/1310222373.db2.gz DPSNBUSWFBOHCD-GFCCVEGCSA-N 0 0 347.436 3.201 10 10 EGCERN C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO[C@@H]1C1CC1 ZINC000897414358 1310328213 /nfs/dbraw/zinc/32/82/13/1310328213.db2.gz YOJZDXPPRDEWGQ-SJLPKXTDSA-N 0 0 347.436 3.248 10 10 EGCERN C[C@]1(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(F)F ZINC000898781817 1310843463 /nfs/dbraw/zinc/84/34/63/1310843463.db2.gz FOJQDDBFIJUMJM-AWEZNQCLSA-N 0 0 327.352 3.478 10 10 EGCERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000899172149 1310964195 /nfs/dbraw/zinc/96/41/95/1310964195.db2.gz OCZFKTGISRPXLT-RHSMWYFYSA-N 0 0 347.436 3.390 10 10 EGCERN O=C(NC[C@@H]1CCC12CCOCC2)c1cc2cc(O)c(O)cc2s1 ZINC000899177040 1310967571 /nfs/dbraw/zinc/96/75/71/1310967571.db2.gz JFQNSNCODIYWNV-LBPRGKRZSA-N 0 0 347.436 3.249 10 10 EGCERN CC(=O)c1cc(F)cc(CN2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC000857923051 1328626849 /nfs/dbraw/zinc/62/68/49/1328626849.db2.gz VJVPDYHXKPCUTF-LLVKDONJSA-N 0 0 342.370 3.077 10 10 EGCERN COc1cc(N(C)CCOC2CCSCC2)cc(OC)c1OC ZINC000929707029 1328674022 /nfs/dbraw/zinc/67/40/22/1328674022.db2.gz ILDUXQPCZHRRLR-UHFFFAOYSA-N 0 0 341.473 3.061 10 10 EGCERN CN(C)c1cc(F)c(CNc2ccc(N3CCOCC3)cc2)cc1F ZINC000858101441 1328682771 /nfs/dbraw/zinc/68/27/71/1328682771.db2.gz PUTUUCRUZVOMLH-UHFFFAOYSA-N 0 0 347.409 3.480 10 10 EGCERN Oc1cccc(Br)c1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000858189571 1328707177 /nfs/dbraw/zinc/70/71/77/1328707177.db2.gz OVQYAXYQSRAJDB-HOCLYGCPSA-N 0 0 334.213 3.423 10 10 EGCERN COCCOc1ccc(NC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC000929811667 1328708059 /nfs/dbraw/zinc/70/80/59/1328708059.db2.gz DJOLDRFSXOUQDG-UHFFFAOYSA-N 0 0 348.374 3.187 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000858299119 1328732656 /nfs/dbraw/zinc/73/26/56/1328732656.db2.gz PMGIRPDCGLHYIG-GXTWGEPZSA-N 0 0 326.234 3.120 10 10 EGCERN COc1cccc(O)c1CNc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000858310884 1328734027 /nfs/dbraw/zinc/73/40/27/1328734027.db2.gz APBQAKGNXAYEFW-LBPRGKRZSA-N 0 0 326.396 3.483 10 10 EGCERN COCCN(Cc1c(F)cncc1F)c1ccc(OC)c(OC)c1 ZINC000929995184 1328760145 /nfs/dbraw/zinc/76/01/45/1328760145.db2.gz BUKVASAYYZCOSB-UHFFFAOYSA-N 0 0 338.354 3.030 10 10 EGCERN COc1ccc(OC)c([C@@H](C)NC(=O)NCc2c(O)cccc2F)c1 ZINC000913930048 1319181459 /nfs/dbraw/zinc/18/14/59/1319181459.db2.gz MFHGPMUXUFHYRX-LLVKDONJSA-N 0 0 348.374 3.109 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000858776862 1328858600 /nfs/dbraw/zinc/85/86/00/1328858600.db2.gz ANBFQOKFVBXIIY-VLWUPBBWSA-N 0 0 340.326 3.405 10 10 EGCERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCc3ccc(F)cc32)C1 ZINC000858917520 1328889994 /nfs/dbraw/zinc/88/99/94/1328889994.db2.gz RRUSTXYXGUODDH-OAHLLOKOSA-N 0 0 346.402 3.328 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12CCO[C@H]1CCCC2 ZINC000930905482 1329002531 /nfs/dbraw/zinc/00/25/31/1329002531.db2.gz HIEZDRVNNCOJSL-AZUAARDMSA-N 0 0 330.472 3.450 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(F)F)ncn1 ZINC000930905890 1329002881 /nfs/dbraw/zinc/00/28/81/1329002881.db2.gz TVGFFMOZIHZZEX-UHFFFAOYSA-N 0 0 334.370 3.143 10 10 EGCERN Cc1cnc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(C)c1 ZINC000919918259 1322117144 /nfs/dbraw/zinc/11/71/44/1322117144.db2.gz LGIQYFUGFQWJQA-UHFFFAOYSA-N 0 0 336.439 3.074 10 10 EGCERN CC(C)(C)c1coc(CNCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000921552758 1322350243 /nfs/dbraw/zinc/35/02/43/1322350243.db2.gz MQOKDKJJZDXAEY-UHFFFAOYSA-N 0 0 347.434 3.238 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000921767585 1322395287 /nfs/dbraw/zinc/39/52/87/1322395287.db2.gz QNNRTWQVVSMGQA-KSSFIOAISA-N 0 0 344.386 3.108 10 10 EGCERN CC(C)(C)c1coc(CNCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000922262849 1322488946 /nfs/dbraw/zinc/48/89/46/1322488946.db2.gz KVMSXGPRFSXNTR-UHFFFAOYSA-N 0 0 343.471 3.223 10 10 EGCERN Cc1cc(COC(=O)c2sc3nc(C)cc(C)c3c2N)c(C)nn1 ZINC000922268175 1322489725 /nfs/dbraw/zinc/48/97/25/1322489725.db2.gz OACMDFCNKSPRQS-UHFFFAOYSA-N 0 0 342.424 3.259 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000922691212 1322591722 /nfs/dbraw/zinc/59/17/22/1322591722.db2.gz FPUAKXYDSYSFEM-CMPLNLGQSA-N 0 0 325.277 3.260 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@H]2OCCc3ccccc32)c1 ZINC000922963950 1322663820 /nfs/dbraw/zinc/66/38/20/1322663820.db2.gz PHSSEHUPXBMCPE-GOSISDBHSA-N 0 0 328.368 3.094 10 10 EGCERN CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCC(F)(F)CC1 ZINC000860192741 1329170805 /nfs/dbraw/zinc/17/08/05/1329170805.db2.gz UNDBJFPMZQPLFQ-UHFFFAOYSA-N 0 0 328.311 3.039 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC3(CC(F)C3)C2)c1 ZINC000860380862 1329311514 /nfs/dbraw/zinc/31/15/14/1329311514.db2.gz RYXPYMFLFXESQX-UHFFFAOYSA-N 0 0 340.398 3.481 10 10 EGCERN CSCCCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000860697021 1329345559 /nfs/dbraw/zinc/34/55/59/1329345559.db2.gz LLSVNUJCBAPTRE-ZDUSSCGKSA-N 0 0 325.474 3.459 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncc(C)cc1C ZINC000926743744 1327696149 /nfs/dbraw/zinc/69/61/49/1327696149.db2.gz DMRRPXGLOQLCCP-UHFFFAOYSA-N 0 0 340.471 3.496 10 10 EGCERN Cc1nc2sccn2c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000860950075 1329371911 /nfs/dbraw/zinc/37/19/11/1329371911.db2.gz HUCRJLDSTUUOBL-LLVKDONJSA-N 0 0 328.441 3.261 10 10 EGCERN C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926905184 1327767323 /nfs/dbraw/zinc/76/73/23/1327767323.db2.gz MKYKYANKPGEJCY-PXWWUCIGSA-N 0 0 348.321 3.451 10 10 EGCERN C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000927155221 1327896349 /nfs/dbraw/zinc/89/63/49/1327896349.db2.gz GMRAMJHKDZQRCX-VRHCTWJESA-N 0 0 333.378 3.414 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000927430766 1328023220 /nfs/dbraw/zinc/02/32/20/1328023220.db2.gz RPCVWAJKCCNLPI-IEBWSBKVSA-N 0 0 345.487 3.099 10 10 EGCERN C[C@@H](NC(=O)NC[C@]1(c2ccccc2)CCCO1)c1ccccc1O ZINC000927681053 1328102799 /nfs/dbraw/zinc/10/27/99/1328102799.db2.gz SHXBSNKYHCVVDK-QRWLVFNGSA-N 0 0 340.423 3.458 10 10 EGCERN O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1c(O)cccc1F ZINC000928704951 1328403405 /nfs/dbraw/zinc/40/34/05/1328403405.db2.gz BHHGNAPPVPKTBI-HNNXBMFYSA-N 0 0 329.371 3.437 10 10 EGCERN CC(=O)c1c(C)[nH]c(C(=O)NCc2c(O)cccc2F)c1C(C)C ZINC000928704893 1328403477 /nfs/dbraw/zinc/40/34/77/1328403477.db2.gz FZDJGSCEOORGPZ-UHFFFAOYSA-N 0 0 332.375 3.424 10 10 EGCERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC000928712021 1328407354 /nfs/dbraw/zinc/40/73/54/1328407354.db2.gz NCNAWNUYAXTUBS-SMDDNHRTSA-N 0 0 342.370 3.056 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(C)(F)C2)ccc1C ZINC000861434751 1329417715 /nfs/dbraw/zinc/41/77/15/1329417715.db2.gz SWBBHJMHKMCZTJ-UHFFFAOYSA-N 0 0 328.387 3.399 10 10 EGCERN COCCC1CN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000861961442 1329453390 /nfs/dbraw/zinc/45/33/90/1329453390.db2.gz WBECMQDEUJPYRO-UHFFFAOYSA-N 0 0 340.423 3.015 10 10 EGCERN Cc1c(C(=O)NCc2ccc3cccnc3c2O)[nH]c2c1C(=O)CCC2 ZINC000862028706 1329456042 /nfs/dbraw/zinc/45/60/42/1329456042.db2.gz IKEJQYHVUOVCET-UHFFFAOYSA-N 0 0 349.390 3.026 10 10 EGCERN CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000862498537 1329491656 /nfs/dbraw/zinc/49/16/56/1329491656.db2.gz NBHRLOGIDMMILV-UHFFFAOYSA-N 0 0 332.347 3.470 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)c1 ZINC000862753848 1329506443 /nfs/dbraw/zinc/50/64/43/1329506443.db2.gz JCJTWIVJWJGVGR-INIZCTEOSA-N 0 0 333.334 3.417 10 10 EGCERN Cn1cc(/C=C2\c3cccc4c3N(CCC4)C2=O)c(Br)n1 ZINC000863193811 1329532841 /nfs/dbraw/zinc/53/28/41/1329532841.db2.gz WHKGRCCZMDKANT-MDWZMJQESA-N 0 0 344.212 3.016 10 10 EGCERN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC000863255452 1329540027 /nfs/dbraw/zinc/54/00/27/1329540027.db2.gz VTTUVCQKJRPFOG-CQSZACIVSA-N 0 0 349.434 3.441 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)CSC[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000863354273 1329549543 /nfs/dbraw/zinc/54/95/43/1329549543.db2.gz CSFUMXAXKNXRIL-BJWYYQGGSA-N 0 0 332.513 3.490 10 10 EGCERN COc1ccc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)cc1F ZINC000863945448 1329590570 /nfs/dbraw/zinc/59/05/70/1329590570.db2.gz DYFOXCKNSQWIRS-NSHDSACASA-N 0 0 349.333 3.014 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCC[C@@H]1F ZINC000865317011 1329685760 /nfs/dbraw/zinc/68/57/60/1329685760.db2.gz IIMUPRMFPXJAPT-QWHCGFSZSA-N 0 0 340.782 3.091 10 10 EGCERN F[C@@H]1COc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000866240956 1330084192 /nfs/dbraw/zinc/08/41/92/1330084192.db2.gz RQTXSCVDWOYSJS-QUCCMNQESA-N 0 0 342.414 3.085 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000866528888 1330122408 /nfs/dbraw/zinc/12/24/08/1330122408.db2.gz JZKIXMTUKXNLMH-UKRRQHHQSA-N 0 0 333.428 3.036 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)[C@@H](Cc1cccnc1)C1CCCC1 ZINC000866769444 1330147820 /nfs/dbraw/zinc/14/78/20/1330147820.db2.gz KUPNKPHHCJSOQQ-KRWDZBQOSA-N 0 0 340.423 3.158 10 10 EGCERN C[C@H](NS(=O)(=O)CCc1ccccc1Cl)c1ccccc1O ZINC000867836109 1330223020 /nfs/dbraw/zinc/22/30/20/1330223020.db2.gz GFYKCOBCFBUFMR-LBPRGKRZSA-N 0 0 339.844 3.269 10 10 EGCERN CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1ccc(N(C)CC)cc1 ZINC001196125873 1368554101 /nfs/dbraw/zinc/55/41/01/1368554101.db2.gz SOWTVWOQXVXUGQ-IBGZPJMESA-N 0 0 342.439 3.398 10 10 EGCERN COc1ccccc1-c1nnc(CN[C@H](C)c2ccccc2O)o1 ZINC001197004741 1368730265 /nfs/dbraw/zinc/73/02/65/1368730265.db2.gz VIIMYUYASHODED-GFCCVEGCSA-N 0 0 325.368 3.302 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H]2CCOc3c(F)cccc32)cc1 ZINC001124480879 1372705929 /nfs/dbraw/zinc/70/59/29/1372705929.db2.gz ZWGYTJQQGHQDLY-INIZCTEOSA-N 0 0 328.387 3.074 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1COc2ccccc21 ZINC001124549490 1372711534 /nfs/dbraw/zinc/71/15/34/1372711534.db2.gz KFURLZCRTSFTGP-LJQANCHMSA-N 0 0 336.435 3.421 10 10 EGCERN O=C(CSC(F)F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001125090530 1372752195 /nfs/dbraw/zinc/75/21/95/1372752195.db2.gz TUGXLJNVJNHRAD-UHFFFAOYSA-N 0 0 347.342 3.356 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cccc3ncn(C)c32)cc1 ZINC001125235305 1372763118 /nfs/dbraw/zinc/76/31/18/1372763118.db2.gz NIUWMNAWLVACRE-UHFFFAOYSA-N 0 0 336.439 3.350 10 10 EGCERN C/C(=C\c1cccnc1)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129215353 1373362162 /nfs/dbraw/zinc/36/21/62/1373362162.db2.gz CONPNKYBDYIMDH-PKNBQFBNSA-N 0 0 327.315 3.122 10 10 EGCERN CCc1cccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001129818628 1373425985 /nfs/dbraw/zinc/42/59/85/1373425985.db2.gz CRGUJZZVQZJEJJ-OAHLLOKOSA-N 0 0 325.456 3.379 10 10 EGCERN O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2cc(F)c(F)cc21 ZINC001130408122 1373523339 /nfs/dbraw/zinc/52/33/39/1373523339.db2.gz RYYJFRYYMBTHQD-DUXPYHPUSA-N 0 0 336.725 3.452 10 10 EGCERN CCc1ccncc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326716914 1388288943 /nfs/dbraw/zinc/28/89/43/1388288943.db2.gz YFYZAQVYFPOIHC-UHFFFAOYSA-N 0 0 328.435 3.147 10 10 EGCERN Cc1cc(CNC(=O)COCc2ccccn2)c(C)n1-c1ccccc1 ZINC001132048402 1375116733 /nfs/dbraw/zinc/11/67/33/1375116733.db2.gz UIQSMMIXECGUNS-UHFFFAOYSA-N 0 0 349.434 3.322 10 10 EGCERN Cc1cc(CNC(=O)c2cn(C)nc2Cl)c(C)n1-c1ccccc1 ZINC001132048259 1375116913 /nfs/dbraw/zinc/11/69/13/1375116913.db2.gz OHRJTDFKCJXLKI-UHFFFAOYSA-N 0 0 342.830 3.411 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC001233764563 1376711293 /nfs/dbraw/zinc/71/12/93/1376711293.db2.gz SAVBPVGKGFRZOG-KRWDZBQOSA-N 0 0 345.487 3.386 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(N)nc(Cl)c1 ZINC001135800997 1377214651 /nfs/dbraw/zinc/21/46/51/1377214651.db2.gz ZQAIZPXDMWKYGA-UHFFFAOYSA-N 0 0 344.846 3.190 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)(O)c2ccccc2)cc1 ZINC001135946083 1377274086 /nfs/dbraw/zinc/27/40/86/1377274086.db2.gz DOXQYUMYMUROOL-NRFANRHFSA-N 0 0 340.467 3.399 10 10 EGCERN Cc1ccc(OCCNC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001136122441 1377350621 /nfs/dbraw/zinc/35/06/21/1377350621.db2.gz YFNQTDPIFWFCMI-UHFFFAOYSA-N 0 0 343.404 3.430 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(Cl)c1-n1cccn1 ZINC001136317012 1377375775 /nfs/dbraw/zinc/37/57/75/1377375775.db2.gz YZXQHRDPDJQYLN-UHFFFAOYSA-N 0 0 343.770 3.118 10 10 EGCERN CCc1ncc(Cl)c(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC001136436839 1377392913 /nfs/dbraw/zinc/39/29/13/1377392913.db2.gz MCZSFQNWTGZRLQ-UHFFFAOYSA-N 0 0 344.846 3.005 10 10 EGCERN COc1cccc(CNC(=O)Cc2nc(C3CCCC3)cs2)c1O ZINC001137473808 1377553924 /nfs/dbraw/zinc/55/39/24/1377553924.db2.gz WYXANFBCVKXTQV-UHFFFAOYSA-N 0 0 346.452 3.374 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001138152976 1377685247 /nfs/dbraw/zinc/68/52/47/1377685247.db2.gz UZVOHXIUZTZXSC-GFCCVEGCSA-N 0 0 346.427 3.063 10 10 EGCERN CC[C@@](C)(CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)OC ZINC001141203906 1378268718 /nfs/dbraw/zinc/26/87/18/1378268718.db2.gz GRNHHUFEQAJWNN-FQEVSTJZSA-N 0 0 342.439 3.452 10 10 EGCERN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)nc[nH]c2=O ZINC001141903577 1378392123 /nfs/dbraw/zinc/39/21/23/1378392123.db2.gz MBUUCPREQHGHKQ-UHFFFAOYSA-N 0 0 334.379 3.188 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3ccc4[nH]cc(C=O)c4c3)ccc21 ZINC001142470303 1378446156 /nfs/dbraw/zinc/44/61/56/1378446156.db2.gz WNEUCAYFOHIJIP-UHFFFAOYSA-N 0 0 347.418 3.293 10 10 EGCERN Cc1c(C(=O)NCc2ccc(O)cc2O)sc2nccc(C)c12 ZINC001142531182 1378454669 /nfs/dbraw/zinc/45/46/69/1378454669.db2.gz XOYQXIOBWCGOGJ-UHFFFAOYSA-N 0 0 328.393 3.254 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](C)CC(C)C ZINC001142687087 1378476846 /nfs/dbraw/zinc/47/68/46/1378476846.db2.gz KXUJDCPTXUAEKE-OAHLLOKOSA-N 0 0 335.444 3.356 10 10 EGCERN CCc1c(NC(=O)C2=S=C3CCCC3=C2)n[nH]c1-c1ccncc1 ZINC001143792339 1378647551 /nfs/dbraw/zinc/64/75/51/1378647551.db2.gz CALCYVPFAFHVSV-UHFFFAOYSA-N 0 0 338.436 3.175 10 10 EGCERN Cn1cc(-c2ncccc2C(=O)N2CCc3ccc(Cl)cc32)cn1 ZINC001149177397 1379340033 /nfs/dbraw/zinc/34/00/33/1379340033.db2.gz TUYLJGQTLRNWGY-UHFFFAOYSA-N 0 0 338.798 3.338 10 10 EGCERN CSc1ccc(/C=C/C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC001150488641 1379557328 /nfs/dbraw/zinc/55/73/28/1379557328.db2.gz TYHRCGYWJBSWTQ-ZZXKWVIFSA-N 0 0 335.450 3.253 10 10 EGCERN O=C(NCc1ccccc1O)c1cccc(NCc2ccccn2)c1 ZINC001150535562 1379564177 /nfs/dbraw/zinc/56/41/77/1379564177.db2.gz DMXKTZYBGFGBAC-UHFFFAOYSA-N 0 0 333.391 3.329 10 10 EGCERN C[C@H]1Cc2cnccc2N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001150692952 1379596199 /nfs/dbraw/zinc/59/61/99/1379596199.db2.gz GVDIIZOGKOTSMV-VIFPVBQESA-N 0 0 326.377 3.299 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NC2([C@@H]3CCCCO3)CCC2)cc1 ZINC001152879213 1379990058 /nfs/dbraw/zinc/99/00/58/1379990058.db2.gz MYARRLYLFCGSPO-AWEZNQCLSA-N 0 0 330.388 3.071 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[C@@H](F)C1 ZINC001328009812 1388644423 /nfs/dbraw/zinc/64/44/23/1388644423.db2.gz KWAYJJBZSVOSQJ-JKSUJKDBSA-N 0 0 336.476 3.384 10 10 EGCERN O=C(Cc1nc(-c2ccccc2)cs1)NCc1cccc(O)c1O ZINC001153798969 1380132051 /nfs/dbraw/zinc/13/20/51/1380132051.db2.gz ZDZYLQGWXSTPNY-UHFFFAOYSA-N 0 0 340.404 3.080 10 10 EGCERN Cc1cc(Br)cc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001154601182 1380314510 /nfs/dbraw/zinc/31/45/10/1380314510.db2.gz TXBMCLXFYNCYDC-UHFFFAOYSA-N 0 0 336.185 3.350 10 10 EGCERN O=C(Cc1coc2cc3c(cc12)CCC3)NCc1c(O)cccc1O ZINC001156881090 1380716344 /nfs/dbraw/zinc/71/63/44/1380716344.db2.gz OPPLSWCTFHADHR-UHFFFAOYSA-N 0 0 337.375 3.192 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC001157101835 1380776322 /nfs/dbraw/zinc/77/63/22/1380776322.db2.gz FIDVBMATYGXGAF-UONOGXRCSA-N 0 0 326.433 3.089 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)C(F)F)CCCC1 ZINC001288270551 1381758413 /nfs/dbraw/zinc/75/84/13/1381758413.db2.gz AILHTWYLDBABDH-NSHDSACASA-N 0 0 336.382 3.299 10 10 EGCERN O=C(NC[C@H]1Cc2ccccc21)c1cc2cc(O)c(O)cc2s1 ZINC001291770690 1382152448 /nfs/dbraw/zinc/15/24/48/1382152448.db2.gz XBBIDECEAIKLIJ-GFCCVEGCSA-N 0 0 325.389 3.382 10 10 EGCERN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001294542959 1382469883 /nfs/dbraw/zinc/46/98/83/1382469883.db2.gz RTLLZZDMSPTFJB-TVQRCGJNSA-N 0 0 347.392 3.148 10 10 EGCERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001294674173 1382483166 /nfs/dbraw/zinc/48/31/66/1382483166.db2.gz LNYATJUPYSWUTE-JEBQAFNWSA-N 0 0 329.396 3.185 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cccnc1SC(F)(F)F ZINC001162278980 1382719204 /nfs/dbraw/zinc/71/92/04/1382719204.db2.gz PQZFPUJCTQKXBR-UHFFFAOYSA-N 0 0 344.314 3.035 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cc(=O)[nH]c2ccccc21 ZINC001162607729 1382807190 /nfs/dbraw/zinc/80/71/90/1382807190.db2.gz WXRAFDYTKFSEJR-UHFFFAOYSA-N 0 0 345.358 3.124 10 10 EGCERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1nc[nH]n1 ZINC001162967775 1382930845 /nfs/dbraw/zinc/93/08/45/1382930845.db2.gz OXOZDODTFDUEJU-LLVKDONJSA-N 0 0 337.339 3.117 10 10 EGCERN Cc1cc(C(=O)N(C[C@H](C)O)C2CC2)c(C)n1-c1ccccc1C ZINC001164134079 1383159776 /nfs/dbraw/zinc/15/97/76/1383159776.db2.gz DKQSTTUDMWEPHC-HNNXBMFYSA-N 0 0 326.440 3.388 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)c(C)c2O)cc1 ZINC001164598111 1383204850 /nfs/dbraw/zinc/20/48/50/1383204850.db2.gz ZHCXRNNZADBSGM-UHFFFAOYSA-N 0 0 342.439 3.226 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)c(C=O)s2)cc1 ZINC001164597993 1383205180 /nfs/dbraw/zinc/20/51/80/1383205180.db2.gz XSNIYHRZWHNYMJ-UHFFFAOYSA-N 0 0 346.452 3.086 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1cc2ccccc2c(=O)o1 ZINC001165507581 1383304973 /nfs/dbraw/zinc/30/49/73/1383304973.db2.gz FPWKDJIYSPJRJM-UHFFFAOYSA-N 0 0 329.739 3.082 10 10 EGCERN COCCN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001297956220 1383307110 /nfs/dbraw/zinc/30/71/10/1383307110.db2.gz JVSHXXBBUNTVLW-UHFFFAOYSA-N 0 0 326.356 3.142 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]2(O)CCC[C@H]2C)cc1 ZINC001298562479 1383410306 /nfs/dbraw/zinc/41/03/06/1383410306.db2.gz HMHHFGJNCOWZLT-VLIAUNLRSA-N 0 0 326.440 3.375 10 10 EGCERN CCn1nc(C)c(CNC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC001299772838 1383626844 /nfs/dbraw/zinc/62/68/44/1383626844.db2.gz XPFROJVWRIGZRS-UHFFFAOYSA-N 0 0 343.456 3.005 10 10 EGCERN O=C(/C=C\c1ccc(Cl)nc1)N1C[C@H](CO)Cc2cccc(F)c21 ZINC001300168191 1383650065 /nfs/dbraw/zinc/65/00/65/1383650065.db2.gz JCVLYCWZRPVATG-SCXUMTSISA-N 0 0 346.789 3.085 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1 ZINC001301046929 1383692222 /nfs/dbraw/zinc/69/22/22/1383692222.db2.gz NYILOMPUXFJYSM-UHFFFAOYSA-N 0 0 339.420 3.105 10 10 EGCERN Cc1ccc(O)c(CNC(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)c1 ZINC001301046789 1383692312 /nfs/dbraw/zinc/69/23/12/1383692312.db2.gz KSKKVHXLJAODNH-KRWDZBQOSA-N 0 0 345.345 3.427 10 10 EGCERN COc1ccc(Br)cc1OC(=O)C1=CC(=O)CS1 ZINC001167839706 1383756169 /nfs/dbraw/zinc/75/61/69/1383756169.db2.gz FPTCSBMKIXAJNZ-UHFFFAOYSA-N 0 0 329.171 3.444 10 10 EGCERN CCc1csc(-n2cc(C(=O)N[C@H](C)c3ccccc3O)cn2)n1 ZINC001302530681 1383756860 /nfs/dbraw/zinc/75/68/60/1383756860.db2.gz WBQINWVHXCIKFT-LLVKDONJSA-N 0 0 342.424 3.088 10 10 EGCERN Cc1cc(C(=O)NC[C@H]2CCC(C)(C)CO2)c(C)n1-c1ccccn1 ZINC001303091565 1383782263 /nfs/dbraw/zinc/78/22/63/1383782263.db2.gz DIVOJJVIFVKBNI-MRXNPFEDSA-N 0 0 341.455 3.424 10 10 EGCERN O=C(Cc1c(Cl)cccc1Cl)NCc1cccc(O)c1O ZINC001303193324 1383787053 /nfs/dbraw/zinc/78/70/53/1383787053.db2.gz KLNIHYGNKZHXGM-UHFFFAOYSA-N 0 0 326.179 3.264 10 10 EGCERN CCN(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001167996269 1383792026 /nfs/dbraw/zinc/79/20/26/1383792026.db2.gz HDVXCNUYZPTPBW-UHFFFAOYSA-N 0 0 333.476 3.195 10 10 EGCERN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1c(O)cccc1O ZINC001304050595 1383825279 /nfs/dbraw/zinc/82/52/79/1383825279.db2.gz NYGXMZYMSBMICT-CYBMUJFWSA-N 0 0 343.423 3.479 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1c2c(nc3ccccc31)CCC2 ZINC001304051588 1383825380 /nfs/dbraw/zinc/82/53/80/1383825380.db2.gz XOSYISZTIUZAKT-UHFFFAOYSA-N 0 0 334.375 3.065 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1ccc2c(c1)OCCO2 ZINC001304089654 1383828770 /nfs/dbraw/zinc/82/87/70/1383828770.db2.gz FSBVOOGZTUVSGO-UHFFFAOYSA-N 0 0 335.359 3.247 10 10 EGCERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304089921 1383828873 /nfs/dbraw/zinc/82/88/73/1383828873.db2.gz QXWOAIKSCHWEDS-RNODOKPDSA-N 0 0 349.386 3.390 10 10 EGCERN COc1ccc(OC)c2sc(NCc3c(O)cccc3O)nc21 ZINC001307218253 1383958693 /nfs/dbraw/zinc/95/86/93/1383958693.db2.gz GIEKYSGAIUMUDF-UHFFFAOYSA-N 0 0 332.381 3.337 10 10 EGCERN CC[C@H](C)[C@@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001312729841 1384367513 /nfs/dbraw/zinc/36/75/13/1384367513.db2.gz BPAZVTKYHMHHPX-URLQWDBASA-N 0 0 349.519 3.352 10 10 EGCERN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC001313286069 1384406859 /nfs/dbraw/zinc/40/68/59/1384406859.db2.gz CKZSRBAEIAKESA-RYUDHWBXSA-N 0 0 329.356 3.422 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@@H]3CCC[C@H](F)C3)CC2)cc1 ZINC001329142552 1388987177 /nfs/dbraw/zinc/98/71/77/1388987177.db2.gz RRAWIGJVRMUIOG-CABCVRRESA-N 0 0 334.435 3.309 10 10 EGCERN Cc1cc(N(C)C)cc(C)c1CC(=O)NCc1c(O)cccc1F ZINC001178412994 1386210194 /nfs/dbraw/zinc/21/01/94/1386210194.db2.gz JVRRCXGPLYXMDB-UHFFFAOYSA-N 0 0 330.403 3.073 10 10 EGCERN C[C@H](Oc1cccc2ccccc21)C(=O)NCc1c(O)cccc1O ZINC001178910961 1386346335 /nfs/dbraw/zinc/34/63/35/1386346335.db2.gz JBWUZVQPCWPIOD-ZDUSSCGKSA-N 0 0 337.375 3.335 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1c[nH]nc1-c1cccnc1 ZINC001179032401 1386383469 /nfs/dbraw/zinc/38/34/69/1386383469.db2.gz FPYGNHIDBQAWJH-UHFFFAOYSA-N 0 0 344.374 3.261 10 10 EGCERN CO[C@@H]1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC001320665068 1386685062 /nfs/dbraw/zinc/68/50/62/1386685062.db2.gz RONHJKWYBSNOST-SJLPKXTDSA-N 0 0 333.476 3.240 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](C)C(C)(C)O)ccc1C ZINC001180276478 1386753055 /nfs/dbraw/zinc/75/30/55/1386753055.db2.gz IMEIAUXNBBQOBG-HNNXBMFYSA-N 0 0 342.439 3.104 10 10 EGCERN Cc1ccnn1-c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001180400786 1386785630 /nfs/dbraw/zinc/78/56/30/1386785630.db2.gz PBOFRLCFIIRVNB-UHFFFAOYSA-N 0 0 341.798 3.470 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001330122700 1389311634 /nfs/dbraw/zinc/31/16/34/1389311634.db2.gz LLBHLMOEOOOFKI-RBVVOMGSSA-N 0 0 337.414 3.328 10 10 EGCERN CN(C)c1ccc(/C=C\CN[C@@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC001334910005 1390618607 /nfs/dbraw/zinc/61/86/07/1390618607.db2.gz WUPJQPHXBSLESS-AWFCHZOYSA-N 0 0 338.377 3.393 10 10 EGCERN CC1(C)CCCN1c1nnc(C2SC=CC2=O)n1C[C@H]1CCOC1 ZINC001344469385 1390793272 /nfs/dbraw/zinc/79/32/72/1390793272.db2.gz LCAGLKDMGQLBEV-GFCCVEGCSA-N 0 0 348.472 3.128 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(-c3csnn3)cc2)cc1 ZINC001348909485 1391282905 /nfs/dbraw/zinc/28/29/05/1391282905.db2.gz IYQPREYQFMSMTM-UHFFFAOYSA-N 0 0 338.436 3.201 10 10 EGCERN COCC[C@H]1CCN(C(=O)/C=C(\C)c2cnccn2)c2ccccc21 ZINC001350942068 1391564657 /nfs/dbraw/zinc/56/46/57/1391564657.db2.gz QALDKRBYWRYHRI-QJPKHSJYSA-N 0 0 337.423 3.437 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn2ccccc2n1 ZINC001351164793 1391606126 /nfs/dbraw/zinc/60/61/26/1391606126.db2.gz YMPSUPNTAIMFCN-UHFFFAOYSA-N 0 0 334.423 3.207 10 10 EGCERN C/C(=C/C(=O)N(C)c1cccc(OC(F)(F)F)c1)c1cnccn1 ZINC001352646336 1391827677 /nfs/dbraw/zinc/82/76/77/1391827677.db2.gz WEPIGEUKEFWBKE-FLIBITNWSA-N 0 0 337.301 3.442 10 10 EGCERN CC(=O)c1ccc(CCNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001479621294 1392291850 /nfs/dbraw/zinc/29/18/50/1392291850.db2.gz DBYRWYBYDQOMTA-UHFFFAOYSA-N 0 0 346.814 3.290 10 10 EGCERN Cc1nnc(N2CCC[C@@H]3CC[C@@H]32)n1Cc1ccc(N(C)C)c(F)c1 ZINC001693505479 1406024146 /nfs/dbraw/zinc/02/41/46/1406024146.db2.gz WVIODHDSYVBOCW-WBVHZDCISA-N 0 0 343.450 3.219 10 10 EGCERN CC[C@H]1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001694887608 1406072892 /nfs/dbraw/zinc/07/28/92/1406072892.db2.gz IPYOXVCXPQZQFK-INIZCTEOSA-N 0 0 327.476 3.246 10 10 EGCERN CCc1nnc(N2CCC[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709119982 1417425758 /nfs/dbraw/zinc/42/57/58/1417425758.db2.gz CUZRVQYDQKZVJZ-ZDUSSCGKSA-N 0 0 331.439 3.083 10 10 EGCERN Cc1nc(Cn2c(C)nnc2N(C)Cc2ccccc2O)sc1C ZINC001724089500 1424655830 /nfs/dbraw/zinc/65/58/30/1424655830.db2.gz PSGZXZPRUWYFHP-UHFFFAOYSA-N 0 0 343.456 3.050 10 10 EGCERN Cc1cc(Cn2c(C(C)C)nnc2N(C)Cc2ccccc2O)on1 ZINC001726438483 1427061981 /nfs/dbraw/zinc/06/19/81/1427061981.db2.gz DYKLIQXGHJLZBE-UHFFFAOYSA-N 0 0 341.415 3.088 10 10 EGCERN CC/C=C/Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001727863179 1427126756 /nfs/dbraw/zinc/12/67/56/1427126756.db2.gz PDIACDCGOMDOCB-IEXSPKMKSA-N 0 0 342.443 3.090 10 10 EGCERN CCN(CC)c1nnc(C2CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001728392883 1427148925 /nfs/dbraw/zinc/14/89/25/1427148925.db2.gz MDUWXPVTQLVWQV-UHFFFAOYSA-N 0 0 339.487 3.432 10 10 EGCERN Cc1nnc(N(C)CC(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001742751508 1439522429 /nfs/dbraw/zinc/52/24/29/1439522429.db2.gz ZHGKGOIXGIEAEG-UHFFFAOYSA-N 0 0 333.455 3.322 10 10 EGCERN C[C@@H]1C[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001752041293 1440134849 /nfs/dbraw/zinc/13/48/49/1440134849.db2.gz VYJJBQGXOKRQRO-RHSMWYFYSA-N 0 0 349.438 3.338 10 10 EGCERN CON(C)c1nnc(C(C)C)n1CCCSc1nccs1 ZINC001771310587 1441414348 /nfs/dbraw/zinc/41/43/48/1441414348.db2.gz OTRWJJJJUKDVQK-UHFFFAOYSA-N 0 0 327.479 3.038 10 10 EGCERN CN(C)c1ccc(Cn2nccc2NC(=O)CSC(C)(C)C)cc1 ZINC000098080392 219080391 /nfs/dbraw/zinc/08/03/91/219080391.db2.gz ZMFAFQRDGNTNJD-UHFFFAOYSA-N 0 0 346.500 3.468 10 10 EGCERN Nc1ccc(CC(=O)NCc2cc(F)ccc2Br)cc1 ZINC000038039446 213195580 /nfs/dbraw/zinc/19/55/80/213195580.db2.gz LVKNXXMDAXBWNZ-UHFFFAOYSA-N 0 0 337.192 3.029 10 10 EGCERN O=C(/C=C\c1cn(Cc2ccccc2)nn1)N1CCCc2ccccc21 ZINC000096911538 218898433 /nfs/dbraw/zinc/89/84/33/218898433.db2.gz NHQCZMBPWLHWLT-SEYXRHQNSA-N 0 0 344.418 3.319 10 10 EGCERN COc1ccc2c(c1)CCCN2[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000009220629 135686343 /nfs/dbraw/zinc/68/63/43/135686343.db2.gz MOQVKLCQOPCDLH-ZDUSSCGKSA-N 0 0 335.407 3.446 10 10 EGCERN COc1cccc(CNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c1O ZINC000528863421 313195754 /nfs/dbraw/zinc/19/57/54/313195754.db2.gz WHAFYVSRQJTXNM-JKSUJKDBSA-N 0 0 329.371 3.350 10 10 EGCERN O=C(CSc1nccn1-c1ccccc1)c1ccc(O)c(O)c1 ZINC000026127875 453792994 /nfs/dbraw/zinc/79/29/94/453792994.db2.gz BHRXMOUIOHEBSS-UHFFFAOYSA-N 0 0 326.377 3.259 10 10 EGCERN CN(Cc1ccccc1O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000184531646 455397856 /nfs/dbraw/zinc/39/78/56/455397856.db2.gz NHMUPIWPRKBMMV-UHFFFAOYSA-N 0 0 329.404 3.153 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)N3CCOCC[C@H]3C)cc2)CC1 ZINC000089267367 454131943 /nfs/dbraw/zinc/13/19/43/454131943.db2.gz VLVMERAFEBJEDU-QGZVFWFLSA-N 0 0 345.487 3.243 10 10 EGCERN c1csc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000092593962 454592893 /nfs/dbraw/zinc/59/28/93/454592893.db2.gz PNUJJBAAWQIJRK-GOSISDBHSA-N 0 0 344.480 3.158 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCc3n[nH]cc32)cc1F ZINC000135441057 454677803 /nfs/dbraw/zinc/67/78/03/454677803.db2.gz OVSBFHQSQZXWAV-AWEZNQCLSA-N 0 0 344.434 3.131 10 10 EGCERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000137325970 454777389 /nfs/dbraw/zinc/77/73/89/454777389.db2.gz FBEYNIUDRYSNPT-NSHDSACASA-N 0 0 331.416 3.157 10 10 EGCERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000167811313 454924177 /nfs/dbraw/zinc/92/41/77/454924177.db2.gz CKEFKEFPZPJMEZ-IRXDYDNUSA-N 0 0 327.476 3.482 10 10 EGCERN COc1cccc(CNC(=O)Nc2c[nH]nc2-c2ccccc2)c1O ZINC000179494136 455052741 /nfs/dbraw/zinc/05/27/41/455052741.db2.gz RAKHLTIGBVZLKL-UHFFFAOYSA-N 0 0 338.367 3.113 10 10 EGCERN COc1cc(O)c(CN2CCc3[nH]c4ccccc4c3C2)cc1OC ZINC000179643087 455063422 /nfs/dbraw/zinc/06/34/22/455063422.db2.gz ATPWZZZDTKAQQS-UHFFFAOYSA-N 0 0 338.407 3.449 10 10 EGCERN Cc1scc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000179780755 455078682 /nfs/dbraw/zinc/07/86/82/455078682.db2.gz JHXWAGABKOQCGS-UHFFFAOYSA-N 0 0 348.443 3.271 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-c2ncon2)cc1 ZINC000171738674 455089967 /nfs/dbraw/zinc/08/99/67/455089967.db2.gz HMOWKFQLOQYDRQ-UHFFFAOYSA-N 0 0 348.406 3.267 10 10 EGCERN CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000190485696 455329019 /nfs/dbraw/zinc/32/90/19/455329019.db2.gz UDRRAUPNRWWBLF-MRXNPFEDSA-N 0 0 345.874 3.395 10 10 EGCERN COc1cc(Cl)cc(CN2CCO[C@H](c3nccs3)C2)c1O ZINC000184687055 455427730 /nfs/dbraw/zinc/42/77/30/455427730.db2.gz YKRBWAHUYCUZDK-ZDUSSCGKSA-N 0 0 340.832 3.084 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000268145336 455602101 /nfs/dbraw/zinc/60/21/01/455602101.db2.gz KDESWFXJGWMTLU-KRWDZBQOSA-N 0 0 340.471 3.333 10 10 EGCERN C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000185762715 455616427 /nfs/dbraw/zinc/61/64/27/455616427.db2.gz NTPBXWXXYNVGQE-CZUORRHYSA-N 0 0 334.435 3.363 10 10 EGCERN CC(C)(C)C[C@@H](O)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000292316536 455626628 /nfs/dbraw/zinc/62/66/28/455626628.db2.gz WLMZDBSAMRJLEM-DLBZAZTESA-N 0 0 349.471 3.087 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000293753068 455796399 /nfs/dbraw/zinc/79/63/99/455796399.db2.gz YGKLAXMWUQJQNT-CYBMUJFWSA-N 0 0 327.758 3.017 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000293987912 455801848 /nfs/dbraw/zinc/80/18/48/455801848.db2.gz RUHBAMLICZONMI-GOSISDBHSA-N 0 0 335.806 3.321 10 10 EGCERN CC(C)(CC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000280102760 455893385 /nfs/dbraw/zinc/89/33/85/455893385.db2.gz UWMYFZZISRROCA-UHFFFAOYSA-N 0 0 344.377 3.118 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3cn[nH]c3)c2C)cc1 ZINC000270466396 455961577 /nfs/dbraw/zinc/96/15/77/455961577.db2.gz MTYLAGGVFQTPLZ-ZDUSSCGKSA-N 0 0 338.411 3.317 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCC(=O)OCC ZINC000270533638 455976997 /nfs/dbraw/zinc/97/69/97/455976997.db2.gz PJZXPBIWPHFXIO-AWEZNQCLSA-N 0 0 336.432 3.046 10 10 EGCERN CC1(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000288867385 456107612 /nfs/dbraw/zinc/10/76/12/456107612.db2.gz NRBKTORDQMASLA-UHFFFAOYSA-N 0 0 334.435 3.249 10 10 EGCERN C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000189047652 456210977 /nfs/dbraw/zinc/21/09/77/456210977.db2.gz PRHVTORVMMDOHG-PXAZEXFGSA-N 0 0 346.377 3.122 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2nccnc21 ZINC000273283874 456220990 /nfs/dbraw/zinc/22/09/90/456220990.db2.gz JENUNBBKOGTMFN-UHFFFAOYSA-N 0 0 332.407 3.160 10 10 EGCERN CCOCc1nc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2O)no1 ZINC000290092008 456237910 /nfs/dbraw/zinc/23/79/10/456237910.db2.gz HLYUHCSNFAILJR-UWVGGRQHSA-N 0 0 325.796 3.377 10 10 EGCERN COc1ccc(N2CCCN(c3nc(CC(C)C)ns3)CC2)cc1 ZINC000302234873 456324595 /nfs/dbraw/zinc/32/45/95/456324595.db2.gz HDTBHPQOSILYSW-UHFFFAOYSA-N 0 0 346.500 3.462 10 10 EGCERN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cccc(O)c3O)C2)c1 ZINC000374472429 457636681 /nfs/dbraw/zinc/63/66/81/457636681.db2.gz QMJOOLJXNATAPO-GOSISDBHSA-N 0 0 333.334 3.256 10 10 EGCERN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1CCCOCC1 ZINC000373211548 458430616 /nfs/dbraw/zinc/43/06/16/458430616.db2.gz VDARTBJGCPJCHE-ZDUSSCGKSA-N 0 0 349.386 3.217 10 10 EGCERN CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc2nsnc21 ZINC000521155113 459123247 /nfs/dbraw/zinc/12/32/47/459123247.db2.gz RAJHPDHXPIBYDC-UHFFFAOYSA-N 0 0 333.438 3.215 10 10 EGCERN CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527951706 459780883 /nfs/dbraw/zinc/78/08/83/459780883.db2.gz DGHWHHORLMMOAD-AVGNSLFASA-N 0 0 334.243 3.280 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1[O-] ZINC000187755534 547141094 /nfs/dbraw/zinc/14/10/94/547141094.db2.gz VCXUVHSGGQOXRZ-WDEREUQCSA-N 0 0 337.345 3.134 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378388215 547819337 /nfs/dbraw/zinc/81/93/37/547819337.db2.gz MWZREBMVOQMDTO-IEBWSBKVSA-N 0 0 340.423 3.311 10 10 EGCERN COc1ccc(N2CCC(NC(=O)C[C@H](C)n3cccc3)CC2)cc1 ZINC000729532412 574869801 /nfs/dbraw/zinc/86/98/01/574869801.db2.gz ZSHYOFOCJYPEKK-INIZCTEOSA-N 0 0 341.455 3.233 10 10 EGCERN CN(C)c1ccc(CN(C(=O)C(=O)c2ccc(F)cc2)C2CC2)cc1 ZINC000730110742 574920988 /nfs/dbraw/zinc/92/09/88/574920988.db2.gz VFBFWWCCGGZSFA-UHFFFAOYSA-N 0 0 340.398 3.266 10 10 EGCERN CC1CCN(c2ccc(CNC(=S)NC[C@@H]3CCCO3)cc2)CC1 ZINC000730952995 575037287 /nfs/dbraw/zinc/03/72/87/575037287.db2.gz INSXNHYEPCCNHC-SFHVURJKSA-N 0 0 347.528 3.066 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000731864358 575213240 /nfs/dbraw/zinc/21/32/40/575213240.db2.gz RMDOQIGSBKPENZ-UHFFFAOYSA-N 0 0 342.873 3.127 10 10 EGCERN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)C1=CC(=O)CS1 ZINC000732354976 575262058 /nfs/dbraw/zinc/26/20/58/575262058.db2.gz YLEOCXPYFQYUSL-ZDUSSCGKSA-N 0 0 347.436 3.436 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000734405056 575481162 /nfs/dbraw/zinc/48/11/62/575481162.db2.gz AAJXPGJPYDAEAP-UHFFFAOYSA-N 0 0 336.435 3.049 10 10 EGCERN CCc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000740462854 576584608 /nfs/dbraw/zinc/58/46/08/576584608.db2.gz AZSLOGPRITVIOZ-OAHLLOKOSA-N 0 0 345.399 3.156 10 10 EGCERN COc1ccc(O)c(CNC(=O)c2ccc(-c3ccccc3)n2C)c1 ZINC000743411266 576808833 /nfs/dbraw/zinc/80/88/33/576808833.db2.gz ZIEJOKJNJVLZRQ-UHFFFAOYSA-N 0 0 336.391 3.336 10 10 EGCERN COC(C)(C)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000743675603 576814350 /nfs/dbraw/zinc/81/43/50/576814350.db2.gz ZVVOWPXVEBGKDH-UHFFFAOYSA-N 0 0 343.471 3.361 10 10 EGCERN CCCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000033872260 1291388829 /nfs/dbraw/zinc/38/88/29/1291388829.db2.gz WVYZUWBDSLWOPC-UHFFFAOYSA-N 0 0 349.408 3.395 10 10 EGCERN CN(C)c1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000034686933 1291390730 /nfs/dbraw/zinc/39/07/30/1291390730.db2.gz JNBJUMYLPWHBCD-FQEVSTJZSA-N 0 0 326.440 3.032 10 10 EGCERN COc1cccc(/C(C)=C/C(=O)NCc2cc(OC)ccc2O)c1 ZINC000081781376 1292673173 /nfs/dbraw/zinc/67/31/73/1292673173.db2.gz FERTZYCZGLDMHC-UKTHLTGXSA-N 0 0 327.380 3.129 10 10 EGCERN COc1ccc(O)c(CNC(=O)NC[C@H](C)c2ccc(C)cc2)c1 ZINC000159985294 1294254316 /nfs/dbraw/zinc/25/43/16/1294254316.db2.gz VFLRHVXKDBDMIC-AWEZNQCLSA-N 0 0 328.412 3.312 10 10 EGCERN COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1O ZINC000175931565 1294581315 /nfs/dbraw/zinc/58/13/15/1294581315.db2.gz DESFJDGZGHJFIN-OCCSQVGLSA-N 0 0 333.334 3.099 10 10 EGCERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(-n2cccn2)cc1 ZINC000180833715 1294918989 /nfs/dbraw/zinc/91/89/89/1294918989.db2.gz BPDHFKKSXCJILL-LZTOIUFZSA-N 0 0 349.390 3.174 10 10 EGCERN CN(C)c1ccc2cc(NC(=O)/C=C/c3cncc(O)c3)ccc2n1 ZINC000181930545 1295006892 /nfs/dbraw/zinc/00/68/92/1295006892.db2.gz ITTOYVLEMJDYAE-FPYGCLRLSA-N 0 0 334.379 3.053 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC000242737256 1296284636 /nfs/dbraw/zinc/28/46/36/1296284636.db2.gz DEFGMSMBDUEVHV-UHFFFAOYSA-N 0 0 341.411 3.058 10 10 EGCERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(-n2cccn2)cc1 ZINC000588405595 1298057849 /nfs/dbraw/zinc/05/78/49/1298057849.db2.gz BPDHFKKSXCJILL-PXTDYPQFSA-N 0 0 349.390 3.174 10 10 EGCERN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000708076630 1298232821 /nfs/dbraw/zinc/23/28/21/1298232821.db2.gz YDKSGAJGWCYPEJ-ONGXEEELSA-N 0 0 346.652 3.276 10 10 EGCERN C[C@@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000878437098 1300000778 /nfs/dbraw/zinc/00/07/78/1300000778.db2.gz JQJRGHWSBRYUGE-LJHODMEESA-N 0 0 328.456 3.137 10 10 EGCERN CC(=O)c1cc(Cl)cc(Cn2cc([C@H]3CCCCO3)nn2)c1O ZINC000880999709 1301383541 /nfs/dbraw/zinc/38/35/41/1301383541.db2.gz RBPWBAPNFXKMLE-OAHLLOKOSA-N 0 0 335.791 3.130 10 10 EGCERN COC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000886360242 1303446819 /nfs/dbraw/zinc/44/68/19/1303446819.db2.gz SFBDCZTZLNDVRZ-IINYFYTJSA-N 0 0 334.243 3.230 10 10 EGCERN CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000894813658 1309083647 /nfs/dbraw/zinc/08/36/47/1309083647.db2.gz CCXAQSOAOVKTBV-NSHDSACASA-N 0 0 334.641 3.153 10 10 EGCERN CC(C)(C)OC(=O)N[C@H](CC(F)F)CN1Cc2cccc(O)c2C1 ZINC000895450108 1309343177 /nfs/dbraw/zinc/34/31/77/1309343177.db2.gz SYDRIAQUTVAHBS-GFCCVEGCSA-N 0 0 342.386 3.256 10 10 EGCERN Cc1cnc(F)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000895772825 1309511231 /nfs/dbraw/zinc/51/12/31/1309511231.db2.gz VMZXFGALSPJNRO-UHFFFAOYSA-N 0 0 345.443 3.012 10 10 EGCERN CC(C)Cn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC000896722613 1309988540 /nfs/dbraw/zinc/98/85/40/1309988540.db2.gz XPOGHIBYWGRKRJ-UHFFFAOYSA-N 0 0 331.397 3.417 10 10 EGCERN CC(C)[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897303294 1310281432 /nfs/dbraw/zinc/28/14/32/1310281432.db2.gz JGBGULHDLAFMRZ-SMDDNHRTSA-N 0 0 335.425 3.246 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](OCC2CC2)C1 ZINC000897444389 1310340342 /nfs/dbraw/zinc/34/03/42/1310340342.db2.gz DGXKMLVNWRKGGI-ZDUSSCGKSA-N 0 0 347.436 3.344 10 10 EGCERN Cc1cn(C(C)(C)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000897983832 1310539365 /nfs/dbraw/zinc/53/93/65/1310539365.db2.gz MOENYIYXKKXIAB-OAHLLOKOSA-N 0 0 342.487 3.048 10 10 EGCERN COCCC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899125183 1310943679 /nfs/dbraw/zinc/94/36/79/1310943679.db2.gz NNBHTMBOVZJFBA-UHFFFAOYSA-N 0 0 335.425 3.201 10 10 EGCERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000899172151 1310965354 /nfs/dbraw/zinc/96/53/54/1310965354.db2.gz OCZFKTGISRPXLT-YOEHRIQHSA-N 0 0 347.436 3.390 10 10 EGCERN COc1ccc(N2CCN(C(=O)C[C@@H]3CCCC3(F)F)CC2)cc1 ZINC000929249652 1328548526 /nfs/dbraw/zinc/54/85/26/1328548526.db2.gz HIKOWNPGNSACAW-AWEZNQCLSA-N 0 0 338.398 3.169 10 10 EGCERN Cc1cc(CC(=O)N(C)c2ccc(C)nn2)c(C)n1-c1ccccc1 ZINC000857590213 1328556504 /nfs/dbraw/zinc/55/65/04/1328556504.db2.gz PXQWWIXSMCFKQJ-UHFFFAOYSA-N 0 0 334.423 3.398 10 10 EGCERN COCCOc1cc(C)ccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929830368 1328712912 /nfs/dbraw/zinc/71/29/12/1328712912.db2.gz DWRBIYLBTLOSHO-UHFFFAOYSA-N 0 0 342.395 3.274 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000858214922 1328713265 /nfs/dbraw/zinc/71/32/65/1328713265.db2.gz WKNQFHGMSDCFJL-HYVNUMGLSA-N 0 0 330.771 3.382 10 10 EGCERN CC[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858523917 1328787344 /nfs/dbraw/zinc/78/73/44/1328787344.db2.gz YRYRDUPNFPNLEL-ZWNOBZJWSA-N 0 0 333.259 3.070 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCC34CC4)C2)cc1 ZINC000858598403 1328807056 /nfs/dbraw/zinc/80/70/56/1328807056.db2.gz DWRVLXOAWLUMDX-CVEARBPZSA-N 0 0 343.471 3.153 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000858604025 1328808122 /nfs/dbraw/zinc/80/81/22/1328808122.db2.gz ZCNNPINZQRBBBT-IINYFYTJSA-N 0 0 342.361 3.215 10 10 EGCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2ncccc21 ZINC000918372038 1319947600 /nfs/dbraw/zinc/94/76/00/1319947600.db2.gz SAHNJCMKIKIREH-UHFFFAOYSA-N 0 0 333.391 3.324 10 10 EGCERN CCCN(CC(F)(F)F)C(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000859163589 1328936188 /nfs/dbraw/zinc/93/61/88/1328936188.db2.gz OJCCTGLTMUVJER-UHFFFAOYSA-N 0 0 336.329 3.071 10 10 EGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCC12CC2 ZINC000859460096 1328992018 /nfs/dbraw/zinc/99/20/18/1328992018.db2.gz LOIACGDORMHBRO-LJQANCHMSA-N 0 0 342.483 3.092 10 10 EGCERN Cc1cnc(CNC(=O)NCc2ccc(N(C)C)cc2C)c(C)c1 ZINC000919080376 1322026165 /nfs/dbraw/zinc/02/61/65/1322026165.db2.gz ARCGJKARQQEWLV-UHFFFAOYSA-N 0 0 326.444 3.072 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000919081727 1322026232 /nfs/dbraw/zinc/02/62/32/1322026232.db2.gz OCLFQUANTQZIQZ-HKUYNNGSSA-N 0 0 345.487 3.065 10 10 EGCERN C[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCS1 ZINC000921447606 1322317216 /nfs/dbraw/zinc/31/72/16/1322317216.db2.gz NMOOTRURLVTUHG-QWRGUYRKSA-N 0 0 331.532 3.209 10 10 EGCERN COCC[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccc(C)o1 ZINC000921838446 1322409579 /nfs/dbraw/zinc/40/95/79/1322409579.db2.gz JYYPHXHHHXKIOO-CQSZACIVSA-N 0 0 336.363 3.010 10 10 EGCERN CN(C)c1ccc(/C=C/CNCc2nc3c(s2)COCC3)cc1 ZINC000922960281 1322661852 /nfs/dbraw/zinc/66/18/52/1322661852.db2.gz CUFMOCJKCJQQOG-ONEGZZNKSA-N 0 0 329.469 3.085 10 10 EGCERN c1cc(N2CCCCC2)ccc1CNCc1noc2c1COCC2 ZINC000923014393 1322674327 /nfs/dbraw/zinc/67/43/27/1322674327.db2.gz DCHSJAVRRVLUSM-UHFFFAOYSA-N 0 0 327.428 3.027 10 10 EGCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000925114284 1325050482 /nfs/dbraw/zinc/05/04/82/1325050482.db2.gz MYDRJNLSXMISLK-FDRIWYBQSA-N 0 0 348.830 3.102 10 10 EGCERN CCO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])CN(C)C ZINC000926958285 1327797887 /nfs/dbraw/zinc/79/78/87/1327797887.db2.gz GCPYQPPBHJUXAM-WDEREUQCSA-N 0 0 335.275 3.316 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000927619183 1328082465 /nfs/dbraw/zinc/08/24/65/1328082465.db2.gz PZOJQORLFPHADI-MRXNPFEDSA-N 0 0 347.503 3.488 10 10 EGCERN CC(C)(C)Oc1cccc(CCC(=O)NCc2c(O)cccc2F)n1 ZINC000928705669 1328403693 /nfs/dbraw/zinc/40/36/93/1328403693.db2.gz MRRLTEFYKADLCK-UHFFFAOYSA-N 0 0 346.402 3.353 10 10 EGCERN CCn1nnc(C)c1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000862080830 1329457929 /nfs/dbraw/zinc/45/79/29/1329457929.db2.gz QKRVAPQDLXJRJA-UHFFFAOYSA-N 0 0 343.456 3.005 10 10 EGCERN C[C@](CO)([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccc(O)c1 ZINC000862432808 1329486211 /nfs/dbraw/zinc/48/62/11/1329486211.db2.gz OBYFJRUKEYMXFF-MRXNPFEDSA-N 0 0 342.222 3.402 10 10 EGCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CSC[C@H]2c2ccccc2)c1 ZINC000862755518 1329506870 /nfs/dbraw/zinc/50/68/70/1329506870.db2.gz VDXNRLUGZSDCIV-DLBZAZTESA-N 0 0 327.449 3.464 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)CS[C@H]2COC(C)(C)C2)cc1 ZINC000863355934 1329549700 /nfs/dbraw/zinc/54/97/00/1329549700.db2.gz RAONQZMOZKITOB-MRXNPFEDSA-N 0 0 336.501 3.012 10 10 EGCERN CN(C(=O)c1cccc(O)c1O)[C@@H](CCc1ccccc1)C(F)F ZINC000863729886 1329578359 /nfs/dbraw/zinc/57/83/59/1329578359.db2.gz QYEPJPJRBAZBOP-AWEZNQCLSA-N 0 0 335.350 3.436 10 10 EGCERN COc1cccc([C@@H](O)C2CCN(C(=O)C3=CC(=O)CS3)CC2)c1 ZINC000863738698 1329579011 /nfs/dbraw/zinc/57/90/11/1329579011.db2.gz OBCAJJJTHJDANB-KRWDZBQOSA-N 0 0 347.436 3.048 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3C[C@@H](OC)C3)c2C)cc1 ZINC000863773981 1329580200 /nfs/dbraw/zinc/58/02/00/1329580200.db2.gz NGXPMUOBSVQAOJ-RHNCMZPLSA-N 0 0 342.439 3.258 10 10 EGCERN Cc1cc(CCNC(=O)[C@H](C)c2cncnc2)c(C)n1-c1ccccc1 ZINC000863834628 1329584017 /nfs/dbraw/zinc/58/40/17/1329584017.db2.gz LHCGDDLOVXTQCV-MRXNPFEDSA-N 0 0 348.450 3.347 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@H](C)O1 ZINC000864637001 1329633181 /nfs/dbraw/zinc/63/31/81/1329633181.db2.gz DWUSXHPAHMVASF-JTDSTZFVSA-N 0 0 330.472 3.449 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)cc1 ZINC000864949127 1329654656 /nfs/dbraw/zinc/65/46/56/1329654656.db2.gz GCWMLUCWAWOVOR-QZTJIDSGSA-N 0 0 330.472 3.416 10 10 EGCERN C[C@H](NC(=O)[C@]12C[C@H]1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000865019455 1329661963 /nfs/dbraw/zinc/66/19/63/1329661963.db2.gz ULPONZYDGFFISD-XAUMDUMWSA-N 0 0 328.456 3.281 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=S)NCc2cc(C)on2)cc1 ZINC000865228220 1329677835 /nfs/dbraw/zinc/67/78/35/1329677835.db2.gz DPMYNHVGZSYUHI-UHFFFAOYSA-N 0 0 346.500 3.336 10 10 EGCERN O=[N+]([O-])c1cc(F)cnc1NCc1ccc(N2CCSCC2)cc1 ZINC000865451460 1329699178 /nfs/dbraw/zinc/69/91/78/1329699178.db2.gz OUFARSLTVAOLOG-UHFFFAOYSA-N 0 0 348.403 3.294 10 10 EGCERN O=C(C[C@H]1Cc2ccccc2O1)NCCCSc1nccs1 ZINC000865782938 1329738180 /nfs/dbraw/zinc/73/81/80/1329738180.db2.gz HQTSEZNCBFAPMH-CYBMUJFWSA-N 0 0 334.466 3.135 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cc(C(F)(F)F)ncn1 ZINC000866598817 1330131851 /nfs/dbraw/zinc/13/18/51/1330131851.db2.gz RALYOOBWOAPOEO-UHFFFAOYSA-N 0 0 339.317 3.253 10 10 EGCERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccncc1 ZINC000866899847 1330155913 /nfs/dbraw/zinc/15/59/13/1330155913.db2.gz OCYWXIFWTBCWPW-CRAIPNDOSA-N 0 0 340.423 3.099 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000867302511 1330192399 /nfs/dbraw/zinc/19/23/99/1330192399.db2.gz QDPTUKLKUJETSH-ZUZCIYMTSA-N 0 0 331.799 3.138 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(C(C)(C)C)cs1 ZINC000867302755 1330192470 /nfs/dbraw/zinc/19/24/70/1330192470.db2.gz USYQXKGYZIXAMH-SNVBAGLBSA-N 0 0 334.441 3.213 10 10 EGCERN C[C@H](NC(=O)NCC[C@@](C)(O)c1ccccc1)c1ccccc1O ZINC000868524431 1330289630 /nfs/dbraw/zinc/28/96/30/1330289630.db2.gz YGXIOLVUCKBYNW-IFXJQAMLSA-N 0 0 328.412 3.050 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H]2C(F)F)c1 ZINC000868608803 1330299414 /nfs/dbraw/zinc/29/94/14/1330299414.db2.gz IDLMBQXQOGNZKR-MRXNPFEDSA-N 0 0 332.350 3.386 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccccc1O ZINC000868675132 1330312573 /nfs/dbraw/zinc/31/25/73/1330312573.db2.gz ARXJAUUGLVJCJO-JCKWVBRZSA-N 0 0 341.411 3.068 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCC2([C@@H]3CCCCO3)CCC2)c1 ZINC000868980840 1330386614 /nfs/dbraw/zinc/38/66/14/1330386614.db2.gz JOHNPHAMHWYSEO-KRWDZBQOSA-N 0 0 332.444 3.239 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)c3sc(C)cc3C)C2)cc1 ZINC000869229552 1330442396 /nfs/dbraw/zinc/44/23/96/1330442396.db2.gz YGTHJWZSAKIIGK-CQSZACIVSA-N 0 0 330.453 3.382 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)NCC3=CCOCC3)c2C)cc1 ZINC001324587923 1387689371 /nfs/dbraw/zinc/68/93/71/1387689371.db2.gz YHFDWJWADJVGLM-UHFFFAOYSA-N 0 0 340.423 3.179 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+]CCC2CCOCC2)c1 ZINC001325121774 1387901836 /nfs/dbraw/zinc/90/18/36/1387901836.db2.gz TYEMRRGWIKKGGX-UHFFFAOYSA-N 0 0 328.250 3.369 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])c1 ZINC001118864991 1371243342 /nfs/dbraw/zinc/24/33/42/1371243342.db2.gz VZBQIKZHVNSHFL-XNDNDFLTSA-N 0 0 348.424 3.255 10 10 EGCERN CC(C)c1cccc(O[C@H](C)C(=O)NCc2cccc(O)c2O)c1 ZINC001123977622 1372644460 /nfs/dbraw/zinc/64/44/60/1372644460.db2.gz KCSOUDMRMKEGRX-CYBMUJFWSA-N 0 0 329.396 3.305 10 10 EGCERN C[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001124550098 1372711208 /nfs/dbraw/zinc/71/12/08/1372711208.db2.gz YNENFWGIAKNXPY-DOTOQJQBSA-N 0 0 328.456 3.251 10 10 EGCERN C[C@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)c1ccc(N(C)C)cc1 ZINC001128246685 1373241005 /nfs/dbraw/zinc/24/10/05/1373241005.db2.gz IRKRWIMQZQDZGG-KBPBESRZSA-N 0 0 326.444 3.022 10 10 EGCERN CCc1cccnc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001129974437 1373441922 /nfs/dbraw/zinc/44/19/22/1373441922.db2.gz PHZSWYIMPLEGKR-HNNXBMFYSA-N 0 0 325.456 3.379 10 10 EGCERN Cc1cc(CNC(=O)[C@@]2(C)CCOC2)c(C)n1-c1cccc(C)c1 ZINC001132264030 1375254738 /nfs/dbraw/zinc/25/47/38/1375254738.db2.gz JYVDDWDTJBVMAC-FQEVSTJZSA-N 0 0 326.440 3.445 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCC[C@H]2C)cc1 ZINC001227067491 1375383575 /nfs/dbraw/zinc/38/35/75/1375383575.db2.gz JYMUYEHLRIEEBS-HZPDHXFCSA-N 0 0 333.476 3.209 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(O)c(F)c1 ZINC001135800260 1377214402 /nfs/dbraw/zinc/21/44/02/1377214402.db2.gz BVMWCNUXUZYPQG-UHFFFAOYSA-N 0 0 328.387 3.404 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C\c1cncc(O)c1 ZINC001136025307 1377303281 /nfs/dbraw/zinc/30/32/81/1377303281.db2.gz FSTJALIFDYFGFS-TWGQIWQCSA-N 0 0 337.423 3.059 10 10 EGCERN C[C@H]1c2cccn2CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136162034 1377359736 /nfs/dbraw/zinc/35/97/36/1377359736.db2.gz CVVNXSTUXYDZMW-JTQLQIEISA-N 0 0 328.393 3.331 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1CCCCO1 ZINC001136489044 1377398629 /nfs/dbraw/zinc/39/86/29/1377398629.db2.gz DTVVFTPOOXRKGQ-KRWDZBQOSA-N 0 0 340.423 3.206 10 10 EGCERN COc1cccc(CNC(=O)c2cc3sccc3c(O)c2)c1O ZINC001137473814 1377553991 /nfs/dbraw/zinc/55/39/91/1377553991.db2.gz XFEZMSGIONBRTH-UHFFFAOYSA-N 0 0 329.377 3.251 10 10 EGCERN COc1cccc([C@H]2C[C@H](N(C)C(=O)Cc3ccc(O)c(O)c3)C2)c1 ZINC001142097462 1378412786 /nfs/dbraw/zinc/41/27/86/1378412786.db2.gz UVGRTIDOAMXBDS-WKILWMFISA-N 0 0 341.407 3.054 10 10 EGCERN Cc1cnc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(O)c1 ZINC001142844265 1378494909 /nfs/dbraw/zinc/49/49/09/1378494909.db2.gz MVWOZUXKWHOJKE-UHFFFAOYSA-N 0 0 325.412 3.016 10 10 EGCERN COc1ccc(N2CCN(C(=O)/C(F)=C(\C)C3CC3)CC2)cc1F ZINC001150240304 1379520736 /nfs/dbraw/zinc/52/07/36/1379520736.db2.gz NKQMIWQBCGUFKJ-ATVHPVEESA-N 0 0 336.382 3.136 10 10 EGCERN Cc1cc(CNC(=O)c2ccc3nc[nH]c3n2)c(C)n1-c1ccccc1 ZINC001151153680 1379668552 /nfs/dbraw/zinc/66/85/52/1379668552.db2.gz NLACTTAMDUIGDI-UHFFFAOYSA-N 0 0 345.406 3.295 10 10 EGCERN CCO[C@H]1[C@H](C(=O)NCc2cc(C)n(-c3ccccc3)c2C)[C@@H]1C ZINC001151153150 1379668577 /nfs/dbraw/zinc/66/85/77/1379668577.db2.gz HZFZJKYGEOGHLQ-GDIGMMSISA-N 0 0 326.440 3.381 10 10 EGCERN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001151892699 1379812126 /nfs/dbraw/zinc/81/21/26/1379812126.db2.gz VZERNTKSJNCIEF-NSHDSACASA-N 0 0 330.340 3.190 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328039988 1388651657 /nfs/dbraw/zinc/65/16/57/1388651657.db2.gz QWFFGZQSGKCXIO-HYVNUMGLSA-N 0 0 347.409 3.296 10 10 EGCERN Cc1sccc1C(=O)NCc1cccc(Br)c1O ZINC001156790864 1380637254 /nfs/dbraw/zinc/63/72/54/1380637254.db2.gz HDXGFEUEYKYJAG-UHFFFAOYSA-N 0 0 326.215 3.455 10 10 EGCERN Cc1ccc([C@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)c(C)c1 ZINC001156874684 1380712546 /nfs/dbraw/zinc/71/25/46/1380712546.db2.gz RCISDNYDVYAOHH-INIZCTEOSA-N 0 0 325.408 3.273 10 10 EGCERN O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1c(O)cccc1O ZINC001156881034 1380715988 /nfs/dbraw/zinc/71/59/88/1380715988.db2.gz MHZOHQDSRPOZSL-ZDUSSCGKSA-N 0 0 339.313 3.450 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)cccc2O)nn1C1CCCCC1 ZINC001156881233 1380716890 /nfs/dbraw/zinc/71/68/90/1380716890.db2.gz VKTBDDMFEFNRCN-UHFFFAOYSA-N 0 0 329.400 3.038 10 10 EGCERN CNc1cc(C(=O)NCc2cccc(Cl)c2O)cc(Cl)n1 ZINC001159034575 1381526431 /nfs/dbraw/zinc/52/64/31/1381526431.db2.gz XVAWAODMTFDOAA-UHFFFAOYSA-N 0 0 326.183 3.066 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1cscc1Br ZINC001159778486 1381896675 /nfs/dbraw/zinc/89/66/75/1381896675.db2.gz MNKRLIAVADGAQF-UHFFFAOYSA-N 0 0 328.187 3.103 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1CC[C@H](C)O1 ZINC001161121003 1382306254 /nfs/dbraw/zinc/30/62/54/1382306254.db2.gz LDQIUXIBBHBPSZ-WMLDXEAASA-N 0 0 340.423 3.204 10 10 EGCERN CCO[C@H]1[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)[C@@H]1C ZINC001294674174 1382483225 /nfs/dbraw/zinc/48/32/25/1382483225.db2.gz LNYATJUPYSWUTE-MORSLUCNSA-N 0 0 329.396 3.185 10 10 EGCERN CC(C)Oc1ncccc1C(=O)NCc1ccc2cccnc2c1O ZINC001162612182 1382808819 /nfs/dbraw/zinc/80/88/19/1382808819.db2.gz DXQGVNOXRLBMFL-UHFFFAOYSA-N 0 0 337.379 3.053 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)c1nccnc1F ZINC001162781322 1382870984 /nfs/dbraw/zinc/87/09/84/1382870984.db2.gz OXKWQVSNQGYALJ-UHFFFAOYSA-N 0 0 326.169 3.110 10 10 EGCERN CCN1CC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001297010657 1383104480 /nfs/dbraw/zinc/10/44/80/1383104480.db2.gz RNQGWFDPGJCCIP-KBXCAEBGSA-N 0 0 349.906 3.287 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001297208224 1383128370 /nfs/dbraw/zinc/12/83/70/1383128370.db2.gz FCGRTXVCSKMBJQ-CTYIDZIISA-N 0 0 331.799 3.356 10 10 EGCERN CCOCCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001297573294 1383187501 /nfs/dbraw/zinc/18/75/01/1383187501.db2.gz WXOVRXBBDZFXLH-UHFFFAOYSA-N 0 0 344.459 3.314 10 10 EGCERN CCOc1ccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC001164597372 1383205019 /nfs/dbraw/zinc/20/50/19/1383205019.db2.gz LDSVBJNKKQOUIA-UHFFFAOYSA-N 0 0 342.439 3.302 10 10 EGCERN Cc1cc(CC(=O)N[C@@H]2CCC[C@H]2O)c(C)n1-c1ccc(Cl)cc1 ZINC001299057888 1383461231 /nfs/dbraw/zinc/46/12/31/1383461231.db2.gz FLZRARSFPBOMKW-QZTJIDSGSA-N 0 0 346.858 3.320 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001299700097 1383617401 /nfs/dbraw/zinc/61/74/01/1383617401.db2.gz XOPDOMPQCJKHGE-PHZGNYQRSA-N 0 0 345.439 3.110 10 10 EGCERN O=C(/C=C\c1ccc(Cl)nc1)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001300168192 1383649897 /nfs/dbraw/zinc/64/98/97/1383649897.db2.gz JCVLYCWZRPVATG-VGVVRCBHSA-N 0 0 346.789 3.085 10 10 EGCERN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001303228224 1383788472 /nfs/dbraw/zinc/78/84/72/1383788472.db2.gz TZKPLNNPNVXNSG-LSDHHAIUSA-N 0 0 349.333 3.119 10 10 EGCERN O=C(NCc1c(O)cccc1O)[C@@H](c1ccncc1)C1CCCC1 ZINC001304053645 1383826385 /nfs/dbraw/zinc/82/63/85/1383826385.db2.gz QESZJGUCAGVWNS-GOSISDBHSA-N 0 0 326.396 3.083 10 10 EGCERN CCc1nnc(N(CC)C2CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001306095352 1383873883 /nfs/dbraw/zinc/87/38/83/1383873883.db2.gz ZZNIKSUWEXORHK-UHFFFAOYSA-N 0 0 339.487 3.260 10 10 EGCERN Cc1nc2ccc(Cl)cn2c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001168404817 1383897373 /nfs/dbraw/zinc/89/73/73/1383897373.db2.gz OOENWCAGMFAORF-XVNBXDOJSA-N 0 0 343.770 3.359 10 10 EGCERN CCOc1cc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)nc(C)n1 ZINC001307149050 1383945520 /nfs/dbraw/zinc/94/55/20/1383945520.db2.gz VMBOHENZQVKPQV-HNNXBMFYSA-N 0 0 342.443 3.131 10 10 EGCERN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(F)cn1 ZINC001307256889 1383964738 /nfs/dbraw/zinc/96/47/38/1383964738.db2.gz ZAWPZSCKIYITQV-UHFFFAOYSA-N 0 0 348.428 3.455 10 10 EGCERN CCN1CCN(Cc2ccc(N3CCCCC3)c(C)c2)C(C)(C)C1=O ZINC001169613825 1384164891 /nfs/dbraw/zinc/16/48/91/1384164891.db2.gz OLILSCDSVZLFBP-UHFFFAOYSA-N 0 0 343.515 3.428 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC001313244214 1384405304 /nfs/dbraw/zinc/40/53/04/1384405304.db2.gz RVOMGGAGMWQPPA-KRWDZBQOSA-N 0 0 333.476 3.099 10 10 EGCERN CCN(C)c1nnc(C2CCC2)n1Cc1ccc(N(C)C)cc1C ZINC001313566194 1384427180 /nfs/dbraw/zinc/42/71/80/1384427180.db2.gz NGLFBYOXZXGJPY-UHFFFAOYSA-N 0 0 327.476 3.424 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1Cc1ccoc1 ZINC001314749950 1384444334 /nfs/dbraw/zinc/44/43/34/1384444334.db2.gz DYYBGCPEKUHAFQ-UHFFFAOYSA-N 0 0 349.394 3.257 10 10 EGCERN Cc1cccc(F)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001319211366 1386007117 /nfs/dbraw/zinc/00/71/17/1386007117.db2.gz LPHBYWDYMGOYEA-HNNXBMFYSA-N 0 0 342.414 3.462 10 10 EGCERN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1O ZINC001178912687 1386347161 /nfs/dbraw/zinc/34/71/61/1386347161.db2.gz WNKATLVFJZEVGW-NSHDSACASA-N 0 0 347.798 3.277 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC001180340070 1386768574 /nfs/dbraw/zinc/76/85/74/1386768574.db2.gz FBBPLGANFGXKPU-NHCUHLMSSA-N 0 0 346.430 3.482 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001335295100 1390668588 /nfs/dbraw/zinc/66/85/88/1390668588.db2.gz CYPINEFWUXAPKN-BNOWGMLFSA-N 0 0 332.350 3.238 10 10 EGCERN Cc1cc(C(=O)OC[C@@H]2COC(=O)C2)c(C)n1-c1ccccc1C ZINC001345141527 1390840863 /nfs/dbraw/zinc/84/08/63/1390840863.db2.gz SJRCTHMFYXHYRZ-HNNXBMFYSA-N 0 0 327.380 3.122 10 10 EGCERN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(O)c1O ZINC001347234375 1391035258 /nfs/dbraw/zinc/03/52/58/1391035258.db2.gz NGPKUNKXQNTBKB-KRWDZBQOSA-N 0 0 349.814 3.471 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1oc(C2CC2)nc1C(F)F ZINC001347390783 1391067087 /nfs/dbraw/zinc/06/70/87/1391067087.db2.gz VQGGHTLNMXKULV-UHFFFAOYSA-N 0 0 326.274 3.264 10 10 EGCERN C[C@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1(F)F ZINC001350629306 1391494022 /nfs/dbraw/zinc/49/40/22/1391494022.db2.gz VECUYFNJBLGCTJ-GOSISDBHSA-N 0 0 341.313 3.446 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1ccc(C(F)F)n1 ZINC001352628235 1391826051 /nfs/dbraw/zinc/82/60/51/1391826051.db2.gz YHPDWRYONFNDLG-UHFFFAOYSA-N 0 0 348.397 3.080 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ncc2ccccn21 ZINC001353920006 1392108251 /nfs/dbraw/zinc/10/82/51/1392108251.db2.gz KXFOOEMPESTGOX-UHFFFAOYSA-N 0 0 334.423 3.207 10 10 EGCERN COc1ccc(C[NH2+]Cc2ccc(CNC(=O)C(F)F)cc2)cc1C ZINC001482028205 1394686794 /nfs/dbraw/zinc/68/67/94/1394686794.db2.gz FPDPKWMLYNNCRC-UHFFFAOYSA-N 0 0 348.393 3.175 10 10 EGCERN CCN(CC)c1ccc(Cn2c(N(C)OC)nnc2C(C)(C)C)cc1 ZINC001501847021 1396195417 /nfs/dbraw/zinc/19/54/17/1396195417.db2.gz AGRKVWDBAHVPNC-UHFFFAOYSA-N 0 0 345.491 3.468 10 10 EGCERN Cc1nnc(N(C)C2CC2)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001693452271 1406015601 /nfs/dbraw/zinc/01/56/01/1406015601.db2.gz JOFFUDDOYQHHLG-UHFFFAOYSA-N 0 0 339.487 3.470 10 10 EGCERN CCc1nnc(N(CC)C(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001709048718 1417417943 /nfs/dbraw/zinc/41/79/43/1417417943.db2.gz HYFUCUWUWCRJFJ-UHFFFAOYSA-N 0 0 329.492 3.498 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC1CCOCC1 ZINC001741335021 1439503453 /nfs/dbraw/zinc/50/34/53/1439503453.db2.gz KKXGERCBBGSTQH-UHFFFAOYSA-N 0 0 344.459 3.170 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC(F)(F)F ZINC001767112247 1441404562 /nfs/dbraw/zinc/40/45/62/1441404562.db2.gz VEFRKWAQLRFPMS-UHFFFAOYSA-N 0 0 326.322 3.060 10 10 EGCERN COC(=O)CCCN1C(=O)/C(=C/c2sccc2C)SC1=S ZINC000040888961 213397417 /nfs/dbraw/zinc/39/74/17/213397417.db2.gz MPMPOEWIZGOWOV-FLIBITNWSA-N 0 0 341.479 3.211 10 10 EGCERN Nc1ccc(CS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000035058076 213007305 /nfs/dbraw/zinc/00/73/05/213007305.db2.gz UTBOYRXKGRDRBR-UHFFFAOYSA-N 0 0 326.215 3.005 10 10 EGCERN CSC1=NSC2=NC(=O)/C(=C\c3ccccc3Cl)C(=N)N12 ZINC000020114601 212103570 /nfs/dbraw/zinc/10/35/70/212103570.db2.gz GYJAUBXEIBIYSQ-DLYIBFSCSA-N 0 0 336.829 3.280 10 10 EGCERN CN(C)c1ccc(/C=C/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000008654329 210976597 /nfs/dbraw/zinc/97/65/97/210976597.db2.gz KWQJZYFOXOSVDT-LTIZGNAXSA-N 0 0 347.443 3.188 10 10 EGCERN CCN1C(=O)/C(=C\C2=Cc3ccc(OC)cc3OC2)SC1=S ZINC000014175525 279247183 /nfs/dbraw/zinc/24/71/83/279247183.db2.gz RPBZHJBXIRVJNR-VGOFMYFVSA-N 0 0 333.434 3.235 10 10 EGCERN Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1cccc(F)c1 ZINC000003177285 452745758 /nfs/dbraw/zinc/74/57/58/452745758.db2.gz UTBJPZDCKFRMLI-UHFFFAOYSA-N 0 0 343.354 3.453 10 10 EGCERN O=C1c2ccccc2-c2onc3c2c1c(NCCO)cc3N1CCCC1 ZINC000006737949 452979602 /nfs/dbraw/zinc/97/96/02/452979602.db2.gz YWZWVWMQZOXKNU-UHFFFAOYSA-N 0 0 349.390 3.044 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1ccnn1C ZINC000119457899 454196967 /nfs/dbraw/zinc/19/69/67/454196967.db2.gz HKHIVUVZYWMKGR-UHFFFAOYSA-N 0 0 340.471 3.002 10 10 EGCERN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1nnc2n1CCCC2 ZINC000089913859 454233345 /nfs/dbraw/zinc/23/33/45/454233345.db2.gz IXWUVNYZKYXVRP-INIZCTEOSA-N 0 0 339.487 3.456 10 10 EGCERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000046973023 454310158 /nfs/dbraw/zinc/31/01/58/454310158.db2.gz HSKPYSHSTXKAJC-APWZRJJASA-N 0 0 345.487 3.386 10 10 EGCERN Cc1noc(C)c1CN(C)C(=O)/C=C\c1ccc2c(c1)CCCN2C ZINC000096256266 454313154 /nfs/dbraw/zinc/31/31/54/454313154.db2.gz UOFUMOKSRSANHW-NTMALXAHSA-N 0 0 339.439 3.346 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000073585367 454454080 /nfs/dbraw/zinc/45/40/80/454454080.db2.gz SKDITLUDNVSZFJ-VXGBXAGGSA-N 0 0 346.349 3.321 10 10 EGCERN COc1cccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1O ZINC000122626789 454553675 /nfs/dbraw/zinc/55/36/75/454553675.db2.gz WIKMFZCOCQTSTF-HNNXBMFYSA-N 0 0 345.786 3.316 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2cnn(C)c2)c1O ZINC000177118103 454825370 /nfs/dbraw/zinc/82/53/70/454825370.db2.gz KGXLZTHCOIGUKY-INIZCTEOSA-N 0 0 333.819 3.319 10 10 EGCERN Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c(O)c1O ZINC000177676275 454890683 /nfs/dbraw/zinc/89/06/83/454890683.db2.gz IELDMROHZJHNCL-XJKSGUPXSA-N 0 0 327.380 3.008 10 10 EGCERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c(O)c1O ZINC000177676264 454890748 /nfs/dbraw/zinc/89/07/48/454890748.db2.gz IELDMROHZJHNCL-CJNGLKHVSA-N 0 0 327.380 3.008 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c(O)c1O ZINC000179526890 455055954 /nfs/dbraw/zinc/05/59/54/455055954.db2.gz WRZHNJHMMSDDSB-DOTOQJQBSA-N 0 0 341.407 3.135 10 10 EGCERN Cc1cc(CN(C)Cc2cc(Br)cc(C)c2O)no1 ZINC000179734718 455071405 /nfs/dbraw/zinc/07/14/05/455071405.db2.gz JRQOJXHSGJZCCT-UHFFFAOYSA-N 0 0 325.206 3.392 10 10 EGCERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172107398 455123260 /nfs/dbraw/zinc/12/32/60/455123260.db2.gz UXWYAHKHKLONAB-MGPUTAFESA-N 0 0 336.435 3.468 10 10 EGCERN C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(N2CCCCCC2)cc1 ZINC000180497904 455182912 /nfs/dbraw/zinc/18/29/12/455182912.db2.gz BYKRFACCBUYNOG-XLIONFOSSA-N 0 0 331.504 3.048 10 10 EGCERN C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N2CCCCCC2)cc1 ZINC000180497866 455183445 /nfs/dbraw/zinc/18/34/45/455183445.db2.gz BYKRFACCBUYNOG-YLJYHZDGSA-N 0 0 331.504 3.048 10 10 EGCERN COc1cccc(CNC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)c1O ZINC000181927759 455400925 /nfs/dbraw/zinc/40/09/25/455400925.db2.gz HJIFGYNSMNOQFT-FZKQIMNGSA-N 0 0 340.423 3.442 10 10 EGCERN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000185170501 455515182 /nfs/dbraw/zinc/51/51/82/455515182.db2.gz QOFGRRHGIKRCDA-VXGBXAGGSA-N 0 0 337.416 3.347 10 10 EGCERN CCOc1ccc(O)c(CN2CCN([C@H](C)c3nccs3)CC2)c1 ZINC000185612778 455584789 /nfs/dbraw/zinc/58/47/89/455584789.db2.gz CLBIDDDDGZZEFG-CQSZACIVSA-N 0 0 347.484 3.126 10 10 EGCERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc(O)c3O)[C@@H](C)CO2)c1 ZINC000185742930 455612180 /nfs/dbraw/zinc/61/21/80/455612180.db2.gz NWOJCPZIQQJOJY-KSSFIOAISA-N 0 0 341.407 3.317 10 10 EGCERN C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192613311 455654774 /nfs/dbraw/zinc/65/47/74/455654774.db2.gz GWWVHZRFZMXRMI-JTQLQIEISA-N 0 0 331.243 3.362 10 10 EGCERN CO[C@@H](C)c1noc(CN(C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000271761992 455750466 /nfs/dbraw/zinc/75/04/66/455750466.db2.gz DUOMLIWSJJVBNV-JTQLQIEISA-N 0 0 325.796 3.076 10 10 EGCERN COc1cccc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000293520530 455790463 /nfs/dbraw/zinc/79/04/63/455790463.db2.gz CYTHRIBDABKZLR-MRXNPFEDSA-N 0 0 325.767 3.017 10 10 EGCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@]12CCCO2 ZINC000293706604 455795260 /nfs/dbraw/zinc/79/52/60/455795260.db2.gz UHSYBHGVZHHQPJ-OAGGEKHMSA-N 0 0 329.799 3.001 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc2ccncc21 ZINC000188302766 456039569 /nfs/dbraw/zinc/03/95/69/456039569.db2.gz NISDYYWDHHPBTB-UHFFFAOYSA-N 0 0 334.423 3.358 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(O)c1 ZINC000272830943 456084447 /nfs/dbraw/zinc/08/44/47/456084447.db2.gz PWLLTLRKITXCLH-UHFFFAOYSA-N 0 0 326.440 3.438 10 10 EGCERN COC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1OC ZINC000302484891 456347304 /nfs/dbraw/zinc/34/73/04/456347304.db2.gz RVOPTFDODKRVJO-GFCCVEGCSA-N 0 0 329.400 3.116 10 10 EGCERN C[C@H]1OCCC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000276697363 456554891 /nfs/dbraw/zinc/55/48/91/456554891.db2.gz AOBPXRCLYUJFKS-ZIAGYGMSSA-N 0 0 336.395 3.150 10 10 EGCERN Cc1ccc2ncnc(NCc3ccc(N4CCOCC4)cc3)c2c1 ZINC000299093929 456603801 /nfs/dbraw/zinc/60/38/01/456603801.db2.gz WYAVHXDYJAILBV-UHFFFAOYSA-N 0 0 334.423 3.387 10 10 EGCERN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCCC2 ZINC000324254114 456664760 /nfs/dbraw/zinc/66/47/60/456664760.db2.gz IKYZOPIQNAFOMY-LSDHHAIUSA-N 0 0 327.476 3.482 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1OC ZINC000291754398 456745426 /nfs/dbraw/zinc/74/54/26/456745426.db2.gz AMRIEFWBVRNRTJ-UONOGXRCSA-N 0 0 328.315 3.094 10 10 EGCERN Cc1ccc(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000283692448 456825962 /nfs/dbraw/zinc/82/59/62/456825962.db2.gz PGGMCHDSZDSHSA-UHFFFAOYSA-N 0 0 327.428 3.312 10 10 EGCERN Cc1cn2c(n1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CC2 ZINC000374644349 457679464 /nfs/dbraw/zinc/67/94/64/457679464.db2.gz GLYOGHKXWMPBSZ-UHFFFAOYSA-N 0 0 334.423 3.255 10 10 EGCERN CC(C)c1ccccc1N(C)C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000367357081 457948606 /nfs/dbraw/zinc/94/86/06/457948606.db2.gz TZTXDRTWPLONDA-UHFFFAOYSA-N 0 0 337.427 3.221 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c(O)c1O ZINC000375872199 458104356 /nfs/dbraw/zinc/10/43/56/458104356.db2.gz FAIYWCPTJVJUCK-AWEZNQCLSA-N 0 0 341.363 3.112 10 10 EGCERN COc1cc(O)c(C[NH+]2CCC(c3ccc(C)nc3)CC2)cc1OC ZINC000376538100 458332880 /nfs/dbraw/zinc/33/28/80/458332880.db2.gz GUXOSAISABKBAJ-UHFFFAOYSA-N 0 0 342.439 3.492 10 10 EGCERN CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215567 458719602 /nfs/dbraw/zinc/71/96/02/458719602.db2.gz HNOQKZMFUFUJQX-HIFRSBDPSA-N 0 0 339.277 3.480 10 10 EGCERN CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215571 458719775 /nfs/dbraw/zinc/71/97/75/458719775.db2.gz HNOQKZMFUFUJQX-ZFWWWQNUSA-N 0 0 339.277 3.480 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528858241 459815698 /nfs/dbraw/zinc/81/56/98/459815698.db2.gz SBRUKJFDXNBRSM-HZPDHXFCSA-N 0 0 329.371 3.089 10 10 EGCERN CC(C)(C)[C@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc21 ZINC000614055740 460000879 /nfs/dbraw/zinc/00/08/79/460000879.db2.gz ONTVKFNCNAJBNF-HNNXBMFYSA-N 0 0 335.407 3.366 10 10 EGCERN CCC1(CC)CN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc21 ZINC000612857100 460754762 /nfs/dbraw/zinc/75/47/62/460754762.db2.gz NXVYUOVVXQAEGU-UHFFFAOYSA-N 0 0 335.407 3.294 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000729277629 574834956 /nfs/dbraw/zinc/83/49/56/574834956.db2.gz FWQFLRAAAGIEQL-GFCCVEGCSA-N 0 0 329.371 3.449 10 10 EGCERN CCN(C(=O)/C=C/c1cncc(C(=O)NC)c1)c1ccc(C)cc1C ZINC000731969179 575227568 /nfs/dbraw/zinc/22/75/68/575227568.db2.gz RHMRPQWRZWJJIL-VQHVLOKHSA-N 0 0 337.423 3.124 10 10 EGCERN O=C(NCCc1ccccc1Br)C1=CC(=O)CS1 ZINC000732280181 575254334 /nfs/dbraw/zinc/25/43/34/575254334.db2.gz BFTQNVWFWSXVRE-UHFFFAOYSA-N 0 0 326.215 3.189 10 10 EGCERN Cc1cc(C(=O)CN(C)Cc2cc[nH]n2)c(C)n1-c1ccccc1C ZINC000733998222 575420424 /nfs/dbraw/zinc/42/04/24/575420424.db2.gz ZTOURYACUMQNTH-UHFFFAOYSA-N 0 0 336.439 3.440 10 10 EGCERN COC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000734666743 575534368 /nfs/dbraw/zinc/53/43/68/575534368.db2.gz JKIHDJVFQWQDFV-IBGZPJMESA-N 0 0 341.455 3.248 10 10 EGCERN CC[C@@H](COC)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000738503215 576332460 /nfs/dbraw/zinc/33/24/60/576332460.db2.gz QPEROFXHEVLXEF-SFHVURJKSA-N 0 0 343.471 3.361 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C1CC1 ZINC000743123711 576802038 /nfs/dbraw/zinc/80/20/38/576802038.db2.gz CSCYNBSETUWNDN-JTQLQIEISA-N 0 0 341.249 3.485 10 10 EGCERN COCCSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000743457665 576809650 /nfs/dbraw/zinc/80/96/50/576809650.db2.gz RUQWHOVEOKJSGA-UHFFFAOYSA-N 0 0 347.436 3.385 10 10 EGCERN COc1ccc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 ZINC000744314753 576825161 /nfs/dbraw/zinc/82/51/61/576825161.db2.gz NJNYYQYAOICCPT-UHFFFAOYSA-N 0 0 337.379 3.250 10 10 EGCERN Nc1ccc(CCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000040675725 1291410575 /nfs/dbraw/zinc/41/05/75/1291410575.db2.gz SUKAWMJUMPZJJC-UHFFFAOYSA-N 0 0 345.251 3.097 10 10 EGCERN NC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000102486186 1292977608 /nfs/dbraw/zinc/97/76/08/1292977608.db2.gz GSAOGFRMDLSMCA-UVTDQMKNSA-N 0 0 340.429 3.191 10 10 EGCERN CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/c1sccc1C ZINC000103450362 1293005554 /nfs/dbraw/zinc/00/55/54/1293005554.db2.gz LPXXSNVVOXWCRZ-SDNWHVSQSA-N 0 0 340.404 3.406 10 10 EGCERN COc1c(F)ccc(F)c1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000124477019 1293476038 /nfs/dbraw/zinc/47/60/38/1293476038.db2.gz WHBMYHSSLSDDTC-UHFFFAOYSA-N 0 0 348.349 3.062 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000173579538 1294466543 /nfs/dbraw/zinc/46/65/43/1294466543.db2.gz AYKUROAVFXWTSW-ZIAGYGMSSA-N 0 0 333.334 3.099 10 10 EGCERN COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)n1 ZINC000190394908 1295586295 /nfs/dbraw/zinc/58/62/95/1295586295.db2.gz WWTDAWMQHGUJRA-UVTDQMKNSA-N 0 0 342.445 3.492 10 10 EGCERN CO[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190402959 1295588611 /nfs/dbraw/zinc/58/86/11/1295588611.db2.gz JRZQIBCQRFLZTK-PKOBYXMFSA-N 0 0 345.487 3.386 10 10 EGCERN COc1cc(CN2CCO[C@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193438895 1295868735 /nfs/dbraw/zinc/86/87/35/1295868735.db2.gz ANRMOXZMHRGKCG-AWEZNQCLSA-N 0 0 329.387 3.164 10 10 EGCERN CC(=O)c1cccc(OCCCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871201142 1296269981 /nfs/dbraw/zinc/26/99/81/1296269981.db2.gz PTNKMRTZRCHQIU-UHFFFAOYSA-N 0 0 339.391 3.296 10 10 EGCERN COc1ccc(C(=O)C[C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204687 1296270942 /nfs/dbraw/zinc/27/09/42/1296270942.db2.gz PDBRBSUOHJTINY-ZDUSSCGKSA-N 0 0 339.391 3.152 10 10 EGCERN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)C(=O)c1cccc(F)c1 ZINC000871202448 1296271036 /nfs/dbraw/zinc/27/10/36/1296271036.db2.gz HQTHWZTZVQCISP-GFCCVEGCSA-N 0 0 327.355 3.283 10 10 EGCERN O=C(c1ccc(OCC(F)(F)F)o1)N1Cc2cccc(O)c2C1 ZINC000871206167 1296273313 /nfs/dbraw/zinc/27/33/13/1296273313.db2.gz UTRUICYTQXAILE-UHFFFAOYSA-N 0 0 327.258 3.082 10 10 EGCERN CC(=O)c1c(C)cc(NC(=O)NCCc2ccc(O)c(O)c2)cc1C ZINC000881067917 1301419277 /nfs/dbraw/zinc/41/92/77/1301419277.db2.gz MOTCADARTNOUTP-UHFFFAOYSA-N 0 0 342.395 3.281 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000895461754 1309350499 /nfs/dbraw/zinc/35/04/99/1309350499.db2.gz PNVPWHZDZKNANP-KOLCDFICSA-N 0 0 346.265 3.479 10 10 EGCERN CC1([NH+]2CCC2)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000895671963 1309458532 /nfs/dbraw/zinc/45/85/32/1309458532.db2.gz RURGOSRHTDCRII-UHFFFAOYSA-N 0 0 339.823 3.014 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC2(CCOCC2)C1 ZINC000896672320 1309969495 /nfs/dbraw/zinc/96/94/95/1309969495.db2.gz KMPHHONPGWJTAQ-UHFFFAOYSA-N 0 0 347.436 3.345 10 10 EGCERN O=C(N[C@H](CCO)C1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897226148 1310229978 /nfs/dbraw/zinc/22/99/78/1310229978.db2.gz SWOBMOZRWXAIAE-CYBMUJFWSA-N 0 0 349.452 3.374 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000897697267 1310437176 /nfs/dbraw/zinc/43/71/76/1310437176.db2.gz XXLRIPCHRFFJDO-BXUZGUMPSA-N 0 0 333.409 3.096 10 10 EGCERN CCn1ccnc1[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897892287 1310509095 /nfs/dbraw/zinc/50/90/95/1310509095.db2.gz JBFGNRDMIYYACU-SECBINFHSA-N 0 0 331.397 3.020 10 10 EGCERN COCC1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897975871 1310537322 /nfs/dbraw/zinc/53/73/22/1310537322.db2.gz OLUPNBKJCRZDJX-UHFFFAOYSA-N 0 0 335.425 3.248 10 10 EGCERN O=C(N[C@H](C1CC1)C1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000898272572 1310657266 /nfs/dbraw/zinc/65/72/66/1310657266.db2.gz GELSVABHQZPUCK-QGZVFWFLSA-N 0 0 347.436 3.248 10 10 EGCERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000898437460 1310732966 /nfs/dbraw/zinc/73/29/66/1310732966.db2.gz WGUHDJNNRGQPSV-WMLDXEAASA-N 0 0 347.436 3.390 10 10 EGCERN CC1(C)[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1(F)F ZINC000898978489 1310897697 /nfs/dbraw/zinc/89/76/97/1310897697.db2.gz VCFYNALLTGYUQB-GFCCVEGCSA-N 0 0 327.352 3.334 10 10 EGCERN O=C([C@@H]1c2ccccc2C(=O)OC12CCC2)N1Cc2cccc(O)c2C1 ZINC000899172609 1310965990 /nfs/dbraw/zinc/96/59/90/1310965990.db2.gz DBNKWKSLPXWFFQ-SFHVURJKSA-N 0 0 349.386 3.111 10 10 EGCERN COc1cc(Cl)cc(CN2Cc3ccccc3N(C)C(=O)C2)c1O ZINC000857881961 1328615146 /nfs/dbraw/zinc/61/51/46/1328615146.db2.gz KTDCOBKSPZSEFJ-UHFFFAOYSA-N 0 0 346.814 3.033 10 10 EGCERN CC(=O)c1cc(F)cc(CN2Cc3ccccc3NC(=O)[C@@H]2C)c1O ZINC000857923052 1328626239 /nfs/dbraw/zinc/62/62/39/1328626239.db2.gz VJVPDYHXKPCUTF-NSHDSACASA-N 0 0 342.370 3.077 10 10 EGCERN CCCOc1cncc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000858256353 1328724856 /nfs/dbraw/zinc/72/48/56/1328724856.db2.gz NSDPMZKGEBZFOB-UHFFFAOYSA-N 0 0 327.428 3.319 10 10 EGCERN Cc1cc(C2([NH2+]Cc3c([O-])ccc(Cl)c3F)CCOCC2)on1 ZINC000858326385 1328737494 /nfs/dbraw/zinc/73/74/94/1328737494.db2.gz MLBVPSTVIGEBEG-UHFFFAOYSA-N 0 0 340.782 3.277 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(F)cc(F)c1[O-] ZINC000858528808 1328789087 /nfs/dbraw/zinc/78/90/87/1328789087.db2.gz FQOLIWYODMSZFS-MGPLVRAMSA-N 0 0 332.350 3.148 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCC3(CCC3)O2)cc1 ZINC000913926505 1319179187 /nfs/dbraw/zinc/17/91/87/1319179187.db2.gz FHTGJKHFRYCZCU-KRWDZBQOSA-N 0 0 331.460 3.044 10 10 EGCERN CC(C)Oc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC000914007287 1319211390 /nfs/dbraw/zinc/21/13/90/1319211390.db2.gz VPZVIGRQEKGHHY-UHFFFAOYSA-N 0 0 332.375 3.318 10 10 EGCERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(C)csc2C)c1 ZINC000914153434 1319254239 /nfs/dbraw/zinc/25/42/39/1319254239.db2.gz AYEUUYOOJMHKFE-SNVBAGLBSA-N 0 0 341.454 3.119 10 10 EGCERN Cc1cc(CCNC(=O)Nc2nncs2)c(C)n1-c1ccccc1 ZINC000915300779 1319463997 /nfs/dbraw/zinc/46/39/97/1319463997.db2.gz WABFHWJOMDTHTL-UHFFFAOYSA-N 0 0 341.440 3.310 10 10 EGCERN COc1ccccc1N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000915789560 1319535258 /nfs/dbraw/zinc/53/52/58/1319535258.db2.gz SXGBPNWEYGFQCW-UHFFFAOYSA-N 0 0 338.451 3.212 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)c(C(=O)OC)o1 ZINC000858826845 1328869383 /nfs/dbraw/zinc/86/93/83/1328869383.db2.gz PRVDHFDFQUMKEV-UHFFFAOYSA-N 0 0 344.411 3.103 10 10 EGCERN Cc1cc(CNC(=O)N2C[C@H](O)CC[C@H]2C)c(C)n1-c1ccccc1 ZINC000858907057 1328887677 /nfs/dbraw/zinc/88/76/77/1328887677.db2.gz SVAMHPVEZRPEQY-AUUYWEPGSA-N 0 0 341.455 3.149 10 10 EGCERN CC1(C)C[C@H](C(=O)NCCCSc2nccs2)C(C)(C)O1 ZINC000859352754 1328974171 /nfs/dbraw/zinc/97/41/71/1328974171.db2.gz XLZBLEHAFCVIOP-LLVKDONJSA-N 0 0 328.503 3.335 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(C(C)C)c1Cl ZINC000859420941 1328984892 /nfs/dbraw/zinc/98/48/92/1328984892.db2.gz FGBRGRAZYQUYAR-UHFFFAOYSA-N 0 0 334.851 3.422 10 10 EGCERN COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1ccc(N(C)C)cc1C ZINC000859420920 1328985113 /nfs/dbraw/zinc/98/51/13/1328985113.db2.gz DTKKNXWMSPUBEK-FQEVSTJZSA-N 0 0 338.451 3.416 10 10 EGCERN C[C@H](NC(=O)CSC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000920881817 1322230762 /nfs/dbraw/zinc/23/07/62/1322230762.db2.gz QEOSQUFOKXWILZ-AWEZNQCLSA-N 0 0 336.501 3.232 10 10 EGCERN COC(=O)CCCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000921045136 1322248801 /nfs/dbraw/zinc/24/88/01/1322248801.db2.gz QKOBZYANUDTKEC-UHFFFAOYSA-N 0 0 328.412 3.167 10 10 EGCERN CCCCCn1cc(CNC(=O)NCc2c(O)cccc2F)c(C)n1 ZINC000921739444 1322388529 /nfs/dbraw/zinc/38/85/29/1322388529.db2.gz SPMDWTHROYYTLN-UHFFFAOYSA-N 0 0 348.422 3.226 10 10 EGCERN CC1(C(=O)NCc2cc(NC(=O)C3(C)CCC3)ccc2O)CCC1 ZINC000923119567 1322695861 /nfs/dbraw/zinc/69/58/61/1322695861.db2.gz LYLSYNGHNWVHML-UHFFFAOYSA-N 0 0 330.428 3.327 10 10 EGCERN O=C(NCc1cc(NC(=O)C2CCCC2)ccc1O)C1CCCC1 ZINC000923126933 1322697920 /nfs/dbraw/zinc/69/79/20/1322697920.db2.gz UBZPRQFJZOSZEG-UHFFFAOYSA-N 0 0 330.428 3.327 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCc1nccc2c1CCCC2 ZINC000924532484 1323045389 /nfs/dbraw/zinc/04/53/89/1323045389.db2.gz UDULBAXXOVMRJB-UHFFFAOYSA-N 0 0 325.412 3.008 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860235698 1329180274 /nfs/dbraw/zinc/18/02/74/1329180274.db2.gz XDLULFMTBGJEFS-IAGOWNOFSA-N 0 0 325.408 3.340 10 10 EGCERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCc3c2cccc3F)C1 ZINC000860836343 1329360962 /nfs/dbraw/zinc/36/09/62/1329360962.db2.gz YHKQCOJWAJFKRZ-CYBMUJFWSA-N 0 0 346.402 3.328 10 10 EGCERN Cc1nc2sccn2c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000860950076 1329372087 /nfs/dbraw/zinc/37/20/87/1329372087.db2.gz HUCRJLDSTUUOBL-NSHDSACASA-N 0 0 328.441 3.261 10 10 EGCERN Cc1nc2c(cccc2CCNC(=O)N2Cc3cccc(O)c3C2)o1 ZINC000926937844 1327785344 /nfs/dbraw/zinc/78/53/44/1327785344.db2.gz MXDQZZONQLLPKQ-UHFFFAOYSA-N 0 0 337.379 3.110 10 10 EGCERN C[C@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCS1 ZINC000927246405 1327929271 /nfs/dbraw/zinc/92/92/71/1327929271.db2.gz OHEWIDZTNRPMSD-JSGCOSHPSA-N 0 0 334.485 3.354 10 10 EGCERN CC(C)CCO[C@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000861639495 1329433528 /nfs/dbraw/zinc/43/35/28/1329433528.db2.gz DDBAFVLVQGBAKG-WGSAOQKQSA-N 0 0 347.503 3.484 10 10 EGCERN CC[C@H](C)c1cccc(NC(=O)C(=O)NCc2cc(C)ccc2O)c1 ZINC000862025040 1329455823 /nfs/dbraw/zinc/45/58/23/1329455823.db2.gz LUZNURQVPNGDSG-AWEZNQCLSA-N 0 0 340.423 3.469 10 10 EGCERN COc1cc(Br)cc(Cn2cnc3c2CCCC3)c1O ZINC000862431099 1329486293 /nfs/dbraw/zinc/48/62/93/1329486293.db2.gz IWUIVHCJPJHBIZ-UHFFFAOYSA-N 0 0 337.217 3.287 10 10 EGCERN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1[C@@H]1CCOC1 ZINC000862754470 1329506586 /nfs/dbraw/zinc/50/65/86/1329506586.db2.gz YUFSHPGVUFDVED-MRXNPFEDSA-N 0 0 328.412 3.010 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](CCF)C1 ZINC000863078201 1329527810 /nfs/dbraw/zinc/52/78/10/1329527810.db2.gz SQSOWMHEIIHVFB-CQSZACIVSA-N 0 0 336.432 3.356 10 10 EGCERN Cc1cc(CNC(=O)[C@H](C)c2cncnc2)c(C)n1-c1ccccc1 ZINC000863164570 1329531715 /nfs/dbraw/zinc/53/17/15/1329531715.db2.gz NYHRFPQJRRQBPW-OAHLLOKOSA-N 0 0 334.423 3.304 10 10 EGCERN CCO[C@H](CS(=O)(=O)Nc1cc(C(C)C)c(O)cc1C)C1CC1 ZINC000863406009 1329552448 /nfs/dbraw/zinc/55/24/48/1329552448.db2.gz QDCDQKFLDVCBQK-QGZVFWFLSA-N 0 0 341.473 3.381 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3scnc3C(F)F)ccc21 ZINC000865054890 1329665882 /nfs/dbraw/zinc/66/58/82/1329665882.db2.gz VZRHPYBOYVUKPZ-UHFFFAOYSA-N 0 0 337.395 3.393 10 10 EGCERN CC(=O)c1cccc(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000865867958 1329747147 /nfs/dbraw/zinc/74/71/47/1329747147.db2.gz JNMPLQAVCXYISE-UHFFFAOYSA-N 0 0 347.365 3.011 10 10 EGCERN CCCn1ccnc1C(=O)c1ccnc(N2Cc3cccc(O)c3C2)c1 ZINC000866117361 1330067155 /nfs/dbraw/zinc/06/71/55/1330067155.db2.gz LZDARSVXTLXBMP-UHFFFAOYSA-N 0 0 348.406 3.145 10 10 EGCERN C[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000866516258 1330120842 /nfs/dbraw/zinc/12/08/42/1330120842.db2.gz BSRPYKVASHZOBJ-NOLJZWGESA-N 0 0 349.427 3.187 10 10 EGCERN C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866574557 1330128657 /nfs/dbraw/zinc/12/86/57/1330128657.db2.gz XCBSLCMYKCFRSQ-LBPRGKRZSA-N 0 0 340.383 3.080 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000866598571 1330131813 /nfs/dbraw/zinc/13/18/13/1330131813.db2.gz IIGMWCFLPSCKEP-AWEZNQCLSA-N 0 0 327.428 3.223 10 10 EGCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866898275 1330155567 /nfs/dbraw/zinc/15/55/67/1330155567.db2.gz RWLQZFGRZZGCGT-MWIANEHASA-N 0 0 329.440 3.192 10 10 EGCERN C[C@H](NC(=O)NC[C@H]1COc2ccccc2C1)c1ccccc1O ZINC000868083864 1330247532 /nfs/dbraw/zinc/24/75/32/1330247532.db2.gz XDXOMCAALGCGCE-KBPBESRZSA-N 0 0 326.396 3.004 10 10 EGCERN Nc1ccc(NC(=O)N2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000868161974 1330257284 /nfs/dbraw/zinc/25/72/84/1330257284.db2.gz BFOSRUMFQMEZHY-UHFFFAOYSA-N 0 0 341.415 3.331 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H]1C(F)F ZINC000868609484 1330299546 /nfs/dbraw/zinc/29/95/46/1330299546.db2.gz LUVRYUIEVCZIAJ-MRXNPFEDSA-N 0 0 332.350 3.386 10 10 EGCERN C[C@H](NC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccccc1O ZINC000868756027 1330334204 /nfs/dbraw/zinc/33/42/04/1330334204.db2.gz ZORFNDMQUAYULS-MISXGVKJSA-N 0 0 346.349 3.252 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC000868889151 1330367501 /nfs/dbraw/zinc/36/75/01/1330367501.db2.gz GXVUQIMQZJJOOX-CVAIRZPRSA-N 0 0 330.472 3.067 10 10 EGCERN O=C(NCCCCC1CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869060179 1330405885 /nfs/dbraw/zinc/40/58/85/1330405885.db2.gz XGICHUIURVUDKV-UHFFFAOYSA-N 0 0 345.487 3.027 10 10 EGCERN CCN(CC)c1ccc(CNc2c3c(nc4ncnn42)CCC3)cc1 ZINC001184927467 1387563057 /nfs/dbraw/zinc/56/30/57/1387563057.db2.gz MMYWNUMSUPDBBP-UHFFFAOYSA-N 0 0 336.443 3.071 10 10 EGCERN CC(=O)Nc1ccc(NC(=O)CSc2ncc(Cl)s2)cc1 ZINC001189832227 1367116954 /nfs/dbraw/zinc/11/69/54/1367116954.db2.gz LSUHBVAGIJFJQQ-UHFFFAOYSA-N 0 0 341.845 3.486 10 10 EGCERN COc1ccc(N(Cc2ccccc2)C[C@@H]2COCCO2)cc1OC ZINC001198838468 1369127139 /nfs/dbraw/zinc/12/71/39/1369127139.db2.gz ZHZAIGMCOULTJC-GOSISDBHSA-N 0 0 343.423 3.126 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccn(C)n2)c1 ZINC001116423643 1370908321 /nfs/dbraw/zinc/90/83/21/1370908321.db2.gz LXFZCZOKPPFOIA-UHFFFAOYSA-N 0 0 342.830 3.411 10 10 EGCERN CO[C@@H]1CC[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001118749240 1371220961 /nfs/dbraw/zinc/22/09/61/1371220961.db2.gz RAQGORSGAGRQAF-PKOBYXMFSA-N 0 0 326.440 3.320 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCC[C@H](F)C1 ZINC001326299053 1388145417 /nfs/dbraw/zinc/14/54/17/1388145417.db2.gz MOSSGSTYCGFJGH-NWDGAFQWSA-N 0 0 345.212 3.235 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC001123493793 1372488871 /nfs/dbraw/zinc/48/88/71/1372488871.db2.gz AASGPTSJSSJMEF-MSOLQXFVSA-N 0 0 349.450 3.135 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(C2CC2)n(C)n1 ZINC001124550127 1372711275 /nfs/dbraw/zinc/71/12/75/1372711275.db2.gz ZFVKOBXZFDMSSL-UHFFFAOYSA-N 0 0 338.455 3.170 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)cc1 ZINC001131030547 1373628135 /nfs/dbraw/zinc/62/81/35/1373628135.db2.gz SETUCICDJMUETN-HDMKZQKVSA-N 0 0 330.472 3.462 10 10 EGCERN Cc1cc(CNC(=O)[C@H](C)n2cccn2)c(C)n1-c1cccc(C)c1 ZINC001132264376 1375254395 /nfs/dbraw/zinc/25/43/95/1375254395.db2.gz OWYGFCMEAZQEJF-KRWDZBQOSA-N 0 0 336.439 3.476 10 10 EGCERN Cc1cc(CNC(=O)Cn2cc(C3CC3)cn2)c(C)n1-c1ccccc1 ZINC001132267676 1375255928 /nfs/dbraw/zinc/25/59/28/1375255928.db2.gz LROOYMXUVBDOLZ-UHFFFAOYSA-N 0 0 348.450 3.484 10 10 EGCERN O=C(NCCOc1ccccc1Cl)NCc1c(O)cccc1F ZINC001230732925 1376137096 /nfs/dbraw/zinc/13/70/96/1376137096.db2.gz TWJUOGDGZWEZNB-UHFFFAOYSA-N 0 0 338.766 3.063 10 10 EGCERN CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1(C)C ZINC001230822111 1376159081 /nfs/dbraw/zinc/15/90/81/1376159081.db2.gz QTCNTQUGBNPKDY-OCBCSQNSSA-N 0 0 346.471 3.130 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C)COC(C)(C)OC1 ZINC001135800439 1377214317 /nfs/dbraw/zinc/21/43/17/1377214317.db2.gz GIJKMAWAJXWKKO-UHFFFAOYSA-N 0 0 346.471 3.034 10 10 EGCERN CCCC[C@H](O)CCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001136336486 1377378814 /nfs/dbraw/zinc/37/88/14/1377378814.db2.gz SAQSFDPTYFRWTE-SFHVURJKSA-N 0 0 348.487 3.065 10 10 EGCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ncc(-c2ccccc2)o1 ZINC001136890466 1377436306 /nfs/dbraw/zinc/43/63/06/1377436306.db2.gz OUVURBFYIGCIAD-GFCCVEGCSA-N 0 0 338.363 3.173 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC001137346883 1377527970 /nfs/dbraw/zinc/52/79/70/1377527970.db2.gz PGTQGXKDQUZDAA-LSDHHAIUSA-N 0 0 348.443 3.044 10 10 EGCERN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001137531774 1377561957 /nfs/dbraw/zinc/56/19/57/1377561957.db2.gz YYWWAXQZMAOTQD-AWEZNQCLSA-N 0 0 343.423 3.442 10 10 EGCERN CSc1cccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)c1 ZINC001143093295 1378538531 /nfs/dbraw/zinc/53/85/31/1378538531.db2.gz PRMFWNIMQIRZSH-UHFFFAOYSA-N 0 0 338.436 3.481 10 10 EGCERN C[C@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001327662877 1388575008 /nfs/dbraw/zinc/57/50/08/1388575008.db2.gz RCEMQXSFZWDZNQ-AWEZNQCLSA-N 0 0 349.450 3.135 10 10 EGCERN C[C@@H](NC(=O)c1ncoc1CCC(F)(F)F)c1ccccc1O ZINC001151886032 1379810459 /nfs/dbraw/zinc/81/04/59/1379810459.db2.gz RURJWRUZXJPHQL-SECBINFHSA-N 0 0 328.290 3.366 10 10 EGCERN C[C@H](NC(=O)c1cc(Br)cnc1F)c1ccccc1O ZINC001151899221 1379812963 /nfs/dbraw/zinc/81/29/63/1379812963.db2.gz BALNQCIYQHXSSO-QMMMGPOBSA-N 0 0 339.164 3.180 10 10 EGCERN O=C(COc1cc(Cl)ccc1Cl)NCc1cccc(O)c1O ZINC001153792220 1380130963 /nfs/dbraw/zinc/13/09/63/1380130963.db2.gz PBNSDAZMVUITLN-UHFFFAOYSA-N 0 0 342.178 3.100 10 10 EGCERN COCCN(Cc1ccc(C)c(C)c1)C(=O)c1ccc(C)c(O)c1O ZINC001155616959 1380474365 /nfs/dbraw/zinc/47/43/65/1380474365.db2.gz ASSWRSKZGHONLO-UHFFFAOYSA-N 0 0 343.423 3.312 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1cnc([C@H](C)O)s1 ZINC001155705226 1380485335 /nfs/dbraw/zinc/48/53/35/1380485335.db2.gz ZDQUGNBAGWGICR-LBPRGKRZSA-N 0 0 334.441 3.345 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC001328185257 1388686097 /nfs/dbraw/zinc/68/60/97/1388686097.db2.gz OLBFBYFCGMYJDN-FRRDWIJNSA-N 0 0 326.362 3.189 10 10 EGCERN COc1c2ccccc2[nH]c1C(=O)NCc1cccc(Cl)c1O ZINC001159041450 1381538518 /nfs/dbraw/zinc/53/85/18/1381538518.db2.gz NPCUYDTVCHJYHN-UHFFFAOYSA-N 0 0 330.771 3.466 10 10 EGCERN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)C1=CC(=O)CS1)CCC2 ZINC001328393581 1388736272 /nfs/dbraw/zinc/73/62/72/1388736272.db2.gz OKZZMPQQYDWAFX-CYBMUJFWSA-N 0 0 345.420 3.090 10 10 EGCERN O=C(/C=C/c1ccc[nH]1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001160564196 1382143718 /nfs/dbraw/zinc/14/37/18/1382143718.db2.gz XSMZQVCLIKNXCA-MDZDMXLPSA-N 0 0 329.363 3.376 10 10 EGCERN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001160599510 1382150517 /nfs/dbraw/zinc/15/05/17/1382150517.db2.gz LHLPAWYKURUCMX-CQSZACIVSA-N 0 0 345.270 3.436 10 10 EGCERN C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1nc2ccccc2s1 ZINC001160999030 1382267401 /nfs/dbraw/zinc/26/74/01/1382267401.db2.gz ZYIMNZKYFUNJHW-VIFPVBQESA-N 0 0 346.383 3.380 10 10 EGCERN CCN(C)c1nnc(CC2CC2)n1Cc1ccc(N(C)C)cc1C ZINC001295118825 1382544102 /nfs/dbraw/zinc/54/41/02/1382544102.db2.gz INPDDCQSOYMXIP-UHFFFAOYSA-N 0 0 327.476 3.109 10 10 EGCERN Cc1cc(Sc2ncc(C(C)(C)C)s2)nc(S(C)(=O)=O)n1 ZINC001162768679 1382865225 /nfs/dbraw/zinc/86/52/25/1382865225.db2.gz CBARGQAXCUTBPO-UHFFFAOYSA-N 0 0 343.499 3.094 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CSC(F)(F)F ZINC001296247736 1382935544 /nfs/dbraw/zinc/93/55/44/1382935544.db2.gz XCHZEDMLSMEHMN-BDAKNGLRSA-N 0 0 337.363 3.034 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCC1CC(O)C1 ZINC001163037123 1382953166 /nfs/dbraw/zinc/95/31/66/1382953166.db2.gz LWARKIYFUUMZFY-UHFFFAOYSA-N 0 0 340.379 3.399 10 10 EGCERN Cc1noc(C(F)(F)F)c1C(=O)NCc1cc(Cl)ccc1O ZINC001165499058 1383303161 /nfs/dbraw/zinc/30/31/61/1383303161.db2.gz UUGMWBOZRQBONU-UHFFFAOYSA-N 0 0 334.681 3.291 10 10 EGCERN Cc1cc(C(=O)Nc2nnn(C)c2C)c(C)n1-c1ccc(Cl)cc1 ZINC001299311586 1383506521 /nfs/dbraw/zinc/50/65/21/1383506521.db2.gz PTGFHQKIEZOTIC-UHFFFAOYSA-N 0 0 343.818 3.437 10 10 EGCERN Cc1ccc(C(=O)NCc2ccc(O)cc2O)c(Br)c1 ZINC001299574360 1383574070 /nfs/dbraw/zinc/57/40/70/1383574070.db2.gz QFVYPZZJEKVCAB-UHFFFAOYSA-N 0 0 336.185 3.099 10 10 EGCERN Nc1c(F)cc(Cl)cc1C(=O)NCc1ccc2cccnc2c1O ZINC001299724728 1383623674 /nfs/dbraw/zinc/62/36/74/1383623674.db2.gz IFEMJCMIGJRGBG-UHFFFAOYSA-N 0 0 345.761 3.245 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2c[nH]nc2-c2ccccc2F)c1 ZINC001301046746 1383692325 /nfs/dbraw/zinc/69/23/25/1383692325.db2.gz JNXFENHGOGCBLF-UHFFFAOYSA-N 0 0 325.343 3.160 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCc2c(O)cccc2C1 ZINC001302130352 1383742927 /nfs/dbraw/zinc/74/29/27/1383742927.db2.gz OGQZTHFCDWPQRX-UHFFFAOYSA-N 0 0 341.388 3.217 10 10 EGCERN C[C@@H](NC(=O)c1cnc(-c2cccnc2)s1)c1ccccc1O ZINC001302530144 1383757004 /nfs/dbraw/zinc/75/70/04/1383757004.db2.gz BNHRXQPERLWRRG-LLVKDONJSA-N 0 0 325.393 3.402 10 10 EGCERN C[C@H](NC(=O)c1ncsc1Br)c1ccccc1O ZINC001302538535 1383757486 /nfs/dbraw/zinc/75/74/86/1383757486.db2.gz UGZFVMTVGZJGGK-ZETCQYMHSA-N 0 0 327.203 3.102 10 10 EGCERN O=C(Cc1ccc2n[nH]cc2c1)NCc1c(O)ccc2ccccc21 ZINC001304090423 1383829024 /nfs/dbraw/zinc/82/90/24/1383829024.db2.gz HQNYLXMMBAVJDY-UHFFFAOYSA-N 0 0 331.375 3.281 10 10 EGCERN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304089922 1383829127 /nfs/dbraw/zinc/82/91/27/1383829127.db2.gz QXWOAIKSCHWEDS-XCLFUZPHSA-N 0 0 349.386 3.390 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001304817224 1383857239 /nfs/dbraw/zinc/85/72/39/1383857239.db2.gz KAEXGNAMDQVQNG-KGLIPLIRSA-N 0 0 345.466 3.322 10 10 EGCERN CCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001307023698 1383933949 /nfs/dbraw/zinc/93/39/49/1383933949.db2.gz ITVIBURAPZQDMR-UHFFFAOYSA-N 0 0 337.427 3.016 10 10 EGCERN Cc1cc(CC(=O)N2CCC[C@](C)(CO)C2)c(C)n1-c1ccccc1 ZINC001328890177 1388896352 /nfs/dbraw/zinc/89/63/52/1388896352.db2.gz FYSOERCKEAIOPT-NRFANRHFSA-N 0 0 340.467 3.258 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCN(c3cccc(F)c3)CC2)c1O ZINC001308011368 1384074139 /nfs/dbraw/zinc/07/41/39/1384074139.db2.gz ORYYVKRIAUJEMM-UHFFFAOYSA-N 0 0 346.377 3.195 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)NCc1c(F)cc(F)cc1F ZINC001313266788 1384406166 /nfs/dbraw/zinc/40/61/66/1384406166.db2.gz ZQMRWGRDAUZCRK-UHFFFAOYSA-N 0 0 344.720 3.462 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](COC)C(C)C ZINC001313338110 1384411657 /nfs/dbraw/zinc/41/16/57/1384411657.db2.gz PIAQKAXTBOSQAY-QGZVFWFLSA-N 0 0 335.492 3.203 10 10 EGCERN COc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1OC(F)F ZINC001171723189 1384613640 /nfs/dbraw/zinc/61/36/40/1384613640.db2.gz NVFWHQSHLGAKOR-SNVBAGLBSA-N 0 0 337.322 3.493 10 10 EGCERN C[C@@H](NC(=O)c1ccn(-c2ccccc2F)n1)c1ccccc1O ZINC001171723441 1384613783 /nfs/dbraw/zinc/61/37/83/1384613783.db2.gz RCTMXIFOGZOKDA-GFCCVEGCSA-N 0 0 325.343 3.208 10 10 EGCERN COC(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001171730050 1384616050 /nfs/dbraw/zinc/61/60/50/1384616050.db2.gz IYZSJOMIQDPFSE-JTQLQIEISA-N 0 0 333.771 3.323 10 10 EGCERN O=C(NCc1cc(O)ccc1O)C1(c2ccccc2F)CCCC1 ZINC001176748541 1385681278 /nfs/dbraw/zinc/68/12/78/1385681278.db2.gz WBETZDBQPOQTDT-UHFFFAOYSA-N 0 0 329.371 3.365 10 10 EGCERN Cc1cccc(F)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001319197642 1386002082 /nfs/dbraw/zinc/00/20/82/1386002082.db2.gz LRJOQZVQQYRUAX-UHFFFAOYSA-N 0 0 346.377 3.040 10 10 EGCERN COc1ccc(C2(C(=O)NCc3c(O)cccc3O)CCCC2)cc1 ZINC001178912650 1386347001 /nfs/dbraw/zinc/34/70/01/1386347001.db2.gz VSXOHCGMFFDHNZ-UHFFFAOYSA-N 0 0 341.407 3.235 10 10 EGCERN CCC[C@@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)C(=O)OC ZINC001179346544 1386458518 /nfs/dbraw/zinc/45/85/18/1386458518.db2.gz CIYCPCHVAYIVHG-QGZVFWFLSA-N 0 0 342.439 3.474 10 10 EGCERN Cc1[nH]nc(NC(=O)Cc2ccc(O)c(O)c2)c1-c1ccc(C)cc1 ZINC001181928148 1387078360 /nfs/dbraw/zinc/07/83/60/1387078360.db2.gz DGJRHRDGSFVAFR-UHFFFAOYSA-N 0 0 337.379 3.286 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc(CO)cc1 ZINC001345904287 1390892525 /nfs/dbraw/zinc/89/25/25/1390892525.db2.gz MMCNRXUQRCEGKJ-HNNXBMFYSA-N 0 0 341.455 3.306 10 10 EGCERN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CCCC2)cc1 ZINC001347177562 1391019107 /nfs/dbraw/zinc/01/91/07/1391019107.db2.gz AHYZGERFOJSPFI-XJKSGUPXSA-N 0 0 328.378 3.438 10 10 EGCERN CCCCc1nc(C)c(CC(=O)NCc2cccc(O)c2O)s1 ZINC001347543253 1391090191 /nfs/dbraw/zinc/09/01/91/1391090191.db2.gz ZHRAFCUPOUAULN-UHFFFAOYSA-N 0 0 334.441 3.064 10 10 EGCERN C[C@H](NC(=O)Cc1cccc2nsnc21)c1ccc(N(C)C)cc1 ZINC001348252661 1391192351 /nfs/dbraw/zinc/19/23/51/1391192351.db2.gz KAYAKBDNYKAUAR-LBPRGKRZSA-N 0 0 340.452 3.177 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2cccnn21 ZINC001351672538 1391668789 /nfs/dbraw/zinc/66/87/89/1391668789.db2.gz FRDATLQVBNNCHR-UHFFFAOYSA-N 0 0 334.423 3.207 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)C(=O)c2cc(F)ccc2C)cc1 ZINC001354541437 1392151628 /nfs/dbraw/zinc/15/16/28/1392151628.db2.gz QBXYWOFOEGCZDK-UHFFFAOYSA-N 0 0 342.414 3.479 10 10 EGCERN CN(C)c1ccc(Cn2c(N3CCCC3)nnc2C(C)(C)C)cc1F ZINC001696609778 1406117188 /nfs/dbraw/zinc/11/71/88/1406117188.db2.gz FDSYXURFMMTDEN-UHFFFAOYSA-N 0 0 345.466 3.429 10 10 EGCERN CS[C@@H](C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001698331402 1406139484 /nfs/dbraw/zinc/13/94/84/1406139484.db2.gz JKPUQJBUVKLJHF-ZDUSSCGKSA-N 0 0 334.489 3.495 10 10 EGCERN Cc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001707894720 1417388357 /nfs/dbraw/zinc/38/83/57/1417388357.db2.gz FAGKMWIHWOGTFE-CYBMUJFWSA-N 0 0 331.439 3.076 10 10 EGCERN CCC(O)(CC)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001708821086 1417410256 /nfs/dbraw/zinc/41/02/56/1417410256.db2.gz OAGAANVIDXUZID-UHFFFAOYSA-N 0 0 344.459 3.049 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001726375122 1427053184 /nfs/dbraw/zinc/05/31/84/1427053184.db2.gz HFULHIUEXNMLSK-HUUCEWRRSA-N 0 0 339.487 3.252 10 10 EGCERN CCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001728269153 1427141736 /nfs/dbraw/zinc/14/17/36/1427141736.db2.gz ZRXVYZDKQFXZPE-UHFFFAOYSA-N 0 0 333.455 3.285 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCCC1CCOCC1 ZINC001742754598 1439522632 /nfs/dbraw/zinc/52/26/32/1439522632.db2.gz PYGQZFFAHOLGNN-UHFFFAOYSA-N 0 0 344.459 3.135 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1[C@@H]1C[C@H]1CF ZINC001747749831 1440017169 /nfs/dbraw/zinc/01/71/69/1440017169.db2.gz DWVZQQDKRYJMNP-DZGCQCFKSA-N 0 0 341.390 3.146 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC(F)(F)F ZINC001760896607 1441370516 /nfs/dbraw/zinc/37/05/16/1441370516.db2.gz LWWYWNOZUWGPSW-UHFFFAOYSA-N 0 0 328.338 3.306 10 10 EGCERN CN(C)c1ccc(/C=C\C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000229621826 282280316 /nfs/dbraw/zinc/28/03/16/282280316.db2.gz JDBOOFIAJSWWPF-YXAHYSCSSA-N 0 0 349.478 3.281 10 10 EGCERN CCCc1noc(CCCC(=O)NCc2ccc(N(C)C)c(C)c2)n1 ZINC000069597177 215493005 /nfs/dbraw/zinc/49/30/05/215493005.db2.gz TZCKXZJGTMSODX-UHFFFAOYSA-N 0 0 344.459 3.036 10 10 EGCERN Cc1nc(CSCCC(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000032413376 212800911 /nfs/dbraw/zinc/80/09/11/212800911.db2.gz GYTROGCFFAYEOW-UHFFFAOYSA-N 0 0 349.525 3.457 10 10 EGCERN COc1ccc(NC=C2C(C)=NN(c3nc4ccccc4[nH]3)C2=O)cc1 ZINC000012412693 211372465 /nfs/dbraw/zinc/37/24/65/211372465.db2.gz MKYPAGXMARIHSB-PTNGSMBKSA-N 0 0 347.378 3.290 10 10 EGCERN CCN(C)c1ccc(CNC(=O)CCCc2ccccn2)cc1F ZINC000095396491 218327911 /nfs/dbraw/zinc/32/79/11/218327911.db2.gz AYOFBISWJBUWBD-UHFFFAOYSA-N 0 0 329.419 3.316 10 10 EGCERN CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527951711 312982372 /nfs/dbraw/zinc/98/23/72/312982372.db2.gz DGHWHHORLMMOAD-XQQFMLRXSA-N 0 0 334.243 3.280 10 10 EGCERN Cn1cc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)cn1 ZINC000128459092 455057503 /nfs/dbraw/zinc/05/75/03/455057503.db2.gz XIBLUMFHBDATDS-SNVBAGLBSA-N 0 0 326.227 3.422 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000180713082 455232463 /nfs/dbraw/zinc/23/24/63/455232463.db2.gz NFFHOWRLILEECH-UGAXZCSASA-N 0 0 341.382 3.484 10 10 EGCERN Cn1cccc1[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180838326 455253551 /nfs/dbraw/zinc/25/35/51/455253551.db2.gz PBQOAWICNOYEQX-DZZUKKPASA-N 0 0 326.396 3.203 10 10 EGCERN Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000005710354 452897259 /nfs/dbraw/zinc/89/72/59/452897259.db2.gz UMTOQHGYPHFWHP-UHFFFAOYSA-N 0 0 344.798 3.079 10 10 EGCERN COC(=O)[C@H](C)N1C(=O)/C(=C/C=C\c2ccccc2)SC1=S ZINC000034237262 453918992 /nfs/dbraw/zinc/91/89/92/453918992.db2.gz XJYSNKHZUSTDPK-WLPHLSTMSA-N 0 0 333.434 3.006 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@H]2CCOc3ccccc32)cc1F ZINC000058562094 454215111 /nfs/dbraw/zinc/21/51/11/454215111.db2.gz ZVIIBBCKADYNHE-INIZCTEOSA-N 0 0 343.402 3.215 10 10 EGCERN COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000071792520 454217831 /nfs/dbraw/zinc/21/78/31/454217831.db2.gz KZSMEDIWALHQKD-LLVKDONJSA-N 0 0 332.356 3.168 10 10 EGCERN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000177677345 454890928 /nfs/dbraw/zinc/89/09/28/454890928.db2.gz JGBTWIVBCNWKJE-HNNXBMFYSA-N 0 0 341.407 3.262 10 10 EGCERN C[C@@H](C1CC1)n1nccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000156058264 455077487 /nfs/dbraw/zinc/07/74/87/455077487.db2.gz SABMPPLPQATLOW-ZDUSSCGKSA-N 0 0 327.432 3.242 10 10 EGCERN CCc1nnc(CN(Cc2ccco2)c2ccc(OC)c(F)c2)n1C ZINC000172653358 455167873 /nfs/dbraw/zinc/16/78/73/455167873.db2.gz FAIVFELXZBVXRV-UHFFFAOYSA-N 0 0 344.390 3.325 10 10 EGCERN CCN(CC)c1ccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162593 455284310 /nfs/dbraw/zinc/28/43/10/455284310.db2.gz HTJIOTARGSOUDR-ZWKOTPCHSA-N 0 0 344.459 3.186 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCO[C@@H]3C)cc2)CC1 ZINC000191476101 455488849 /nfs/dbraw/zinc/48/88/49/455488849.db2.gz PSBSCBZFXZYXEC-VQIMIIECSA-N 0 0 330.472 3.354 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000182524093 455532818 /nfs/dbraw/zinc/53/28/18/455532818.db2.gz BJAFALRGQKZRQR-MRXNPFEDSA-N 0 0 345.422 3.052 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000247170363 455568767 /nfs/dbraw/zinc/56/87/67/455568767.db2.gz YLDOEDKPJMIWDG-RCCFBDPRSA-N 0 0 345.487 3.146 10 10 EGCERN Cc1nsc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1 ZINC000271356674 455609951 /nfs/dbraw/zinc/60/99/51/455609951.db2.gz OGIQTVUTMGETHV-INIZCTEOSA-N 0 0 332.473 3.098 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000248521355 455717909 /nfs/dbraw/zinc/71/79/09/455717909.db2.gz RMFFRMIVBBJUTO-ZRGWGRIASA-N 0 0 343.446 3.488 10 10 EGCERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000193080346 455740512 /nfs/dbraw/zinc/74/05/12/455740512.db2.gz FGOQMFWPHINJBU-OCCSQVGLSA-N 0 0 327.380 3.125 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000294591284 455820015 /nfs/dbraw/zinc/82/00/15/455820015.db2.gz HKQOEBFCQZCNNM-NXEZZACHSA-N 0 0 341.732 3.177 10 10 EGCERN Cc1cc2c(nc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n23)c(C)c1 ZINC000252677415 455827964 /nfs/dbraw/zinc/82/79/64/455827964.db2.gz YQQFNAPGEHWSDN-UHFFFAOYSA-N 0 0 349.459 3.140 10 10 EGCERN Cc1noc(C2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000295224536 455843081 /nfs/dbraw/zinc/84/30/81/455843081.db2.gz CCPYMGDEEBRINM-UHFFFAOYSA-N 0 0 325.771 3.256 10 10 EGCERN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295495480 455850645 /nfs/dbraw/zinc/85/06/45/455850645.db2.gz XZQSXXCBEQZBDC-GFCCVEGCSA-N 0 0 342.842 3.169 10 10 EGCERN CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187777334 455951345 /nfs/dbraw/zinc/95/13/45/455951345.db2.gz RSAPOZOUMYZCAR-MNOVXSKESA-N 0 0 336.386 3.051 10 10 EGCERN CC(C)c1nn(C)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000280803075 456056024 /nfs/dbraw/zinc/05/60/24/456056024.db2.gz RKMHJUQIGJNDME-UHFFFAOYSA-N 0 0 339.443 3.241 10 10 EGCERN CN1CCCc2cc(CNC(=O)NCCCC(C)(F)F)ccc21 ZINC000297023056 456094634 /nfs/dbraw/zinc/09/46/34/456094634.db2.gz AKNRZRSITHOBMP-UHFFFAOYSA-N 0 0 325.403 3.304 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000301549402 456144005 /nfs/dbraw/zinc/14/40/05/456144005.db2.gz FPPDPJLDCJCLCF-FNORWQNLSA-N 0 0 336.413 3.113 10 10 EGCERN O=C(NCCCc1nccs1)NCc1c(O)ccc2c1CCCC2 ZINC000290977882 456484259 /nfs/dbraw/zinc/48/42/59/456484259.db2.gz VDBJXDXUUWDORV-UHFFFAOYSA-N 0 0 345.468 3.160 10 10 EGCERN O=C(c1cccc(O)c1O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282548386 456548424 /nfs/dbraw/zinc/54/84/24/456548424.db2.gz SDDZFVJZBIGCFA-GFCCVEGCSA-N 0 0 329.318 3.293 10 10 EGCERN COc1cccc(CNC(=O)N[C@H]2CCCc3nc(C)sc32)c1O ZINC000374744247 457699206 /nfs/dbraw/zinc/69/92/06/457699206.db2.gz QRMIPRHOVUSWNO-ZDUSSCGKSA-N 0 0 347.440 3.043 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000366532390 457841018 /nfs/dbraw/zinc/84/10/18/457841018.db2.gz OSUGESBBEZCSKV-JGWVRAGVSA-N 0 0 339.391 3.148 10 10 EGCERN Cc1ccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c(O)c1O ZINC000367980634 458002716 /nfs/dbraw/zinc/00/27/16/458002716.db2.gz GEWWHNSOBOGRKG-ZDUSSCGKSA-N 0 0 343.383 3.034 10 10 EGCERN O=C([C@@H]1CCCC12CC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000528881586 459816191 /nfs/dbraw/zinc/81/61/91/459816191.db2.gz IQZLACPHSFGXKO-SJORKVTESA-N 0 0 329.440 3.480 10 10 EGCERN Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c(O)c1O ZINC000529673359 459833675 /nfs/dbraw/zinc/83/36/75/459833675.db2.gz CUGJVTUZLUHRIT-RRFJBIMHSA-N 0 0 329.783 3.128 10 10 EGCERN C[C@@H](NC(=O)C1(C(F)(F)F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000726145420 574543920 /nfs/dbraw/zinc/54/39/20/574543920.db2.gz DLVIXSGTTDANSN-GFCCVEGCSA-N 0 0 342.361 3.043 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000728979215 574790739 /nfs/dbraw/zinc/79/07/39/574790739.db2.gz CWHJZIYPXMKNKD-DIFFPNOSSA-N 0 0 329.421 3.295 10 10 EGCERN Cc1cc(CCNC(=O)C[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000739688363 576497492 /nfs/dbraw/zinc/49/74/92/576497492.db2.gz PGMMFNAFEDPPDF-QGZVFWFLSA-N 0 0 326.440 3.179 10 10 EGCERN Cc1cccc(C2(O)CCN(C(=O)C3=CC(=O)CS3)CC2)c1C ZINC000743699854 576814917 /nfs/dbraw/zinc/81/49/17/576814917.db2.gz OEGWNXJJHDCGQG-UHFFFAOYSA-N 0 0 331.437 3.194 10 10 EGCERN Nc1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000036288622 1291396935 /nfs/dbraw/zinc/39/69/35/1291396935.db2.gz WNAINSFVRJDVJS-UHFFFAOYSA-N 0 0 331.224 3.054 10 10 EGCERN COc1cc(N(C)CCOc2ccc(F)cc2)cc(OC)c1OC ZINC000125769994 1293516322 /nfs/dbraw/zinc/51/63/22/1293516322.db2.gz GZYXCUYCLXFFKZ-UHFFFAOYSA-N 0 0 335.375 3.367 10 10 EGCERN CCCCS(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000142284593 1293858070 /nfs/dbraw/zinc/85/80/70/1293858070.db2.gz UENNPDLVPAQDFV-UHFFFAOYSA-N 0 0 343.404 3.004 10 10 EGCERN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCCO3)cc1 ZINC000171174001 1294397494 /nfs/dbraw/zinc/39/74/94/1294397494.db2.gz JOMXRRLXVMYQAQ-UHFFFAOYSA-N 0 0 325.412 3.399 10 10 EGCERN CC(C)(C)OC(=O)NC1(CC(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000871203002 1296270997 /nfs/dbraw/zinc/27/09/97/1296270997.db2.gz JKWCJYSGGRUOAE-UHFFFAOYSA-N 0 0 346.427 3.072 10 10 EGCERN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206812 1296273023 /nfs/dbraw/zinc/27/30/23/1296273023.db2.gz FNGXFMMNHBPALW-GFCCVEGCSA-N 0 0 327.355 3.283 10 10 EGCERN CCOC(=O)c1ccc(NC(=S)NCc2cc(C)ccn2)cc1 ZINC000242906930 1296287866 /nfs/dbraw/zinc/28/78/66/1296287866.db2.gz GQZHTFYBQKEIGJ-UHFFFAOYSA-N 0 0 329.425 3.053 10 10 EGCERN COC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708076156 1298233115 /nfs/dbraw/zinc/23/31/15/1298233115.db2.gz SVUVDOKKCTVGMY-NSHDSACASA-N 0 0 334.641 3.419 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000894088565 1306211294 /nfs/dbraw/zinc/21/12/94/1306211294.db2.gz LSUHRMCPTKDHMM-IINYFYTJSA-N 0 0 344.224 3.295 10 10 EGCERN COC(=O)c1c(CN(C)Cc2cccnc2)c2cc(F)ccc2n1C ZINC000894422330 1308869520 /nfs/dbraw/zinc/86/95/20/1308869520.db2.gz KYATXFOHHUDJGK-UHFFFAOYSA-N 0 0 341.386 3.131 10 10 EGCERN [NH3+][C@H]1CC[C@H](N(Cc2ccc(F)c(F)c2[O-])c2ccccn2)CC1 ZINC000895116809 1309197976 /nfs/dbraw/zinc/19/79/76/1309197976.db2.gz UGGHQIQRLCEARG-HDJSIYSDSA-N 0 0 333.382 3.342 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000895359002 1309299978 /nfs/dbraw/zinc/29/99/78/1309299978.db2.gz KAQCRFILAQSRDA-KRWDZBQOSA-N 0 0 334.366 3.059 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000895461755 1309349297 /nfs/dbraw/zinc/34/92/97/1309349297.db2.gz PNVPWHZDZKNANP-MWLCHTKSSA-N 0 0 346.265 3.479 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000895462044 1309349896 /nfs/dbraw/zinc/34/98/96/1309349896.db2.gz HMUQRPOHYZCOQH-HNNXBMFYSA-N 0 0 331.366 3.050 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000895461753 1309350317 /nfs/dbraw/zinc/35/03/17/1309350317.db2.gz PNVPWHZDZKNANP-GXSJLCMTSA-N 0 0 346.265 3.479 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(C2CCCC2)CC1 ZINC000895630793 1309435940 /nfs/dbraw/zinc/43/59/40/1309435940.db2.gz YTWNQIANFFRMOT-UHFFFAOYSA-N 0 0 346.452 3.013 10 10 EGCERN COc1c(O)c(CN[C@@H]2c3ccccc3CC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000895690693 1309467099 /nfs/dbraw/zinc/46/70/99/1309467099.db2.gz KKBRKQVPLVLFJC-GOEBONIOSA-N 0 0 346.358 3.424 10 10 EGCERN C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cccc(Cl)c3[O-])O2)[C@H]1C ZINC000895819512 1309534564 /nfs/dbraw/zinc/53/45/64/1309534564.db2.gz AETDRRGXLXBQLA-MYLCLEHYSA-N 0 0 325.836 3.108 10 10 EGCERN C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)c(F)cc3[O-])O2)[C@H]1C ZINC000895821684 1309536509 /nfs/dbraw/zinc/53/65/09/1309536509.db2.gz SKJWURHLCLRMMN-NDBFUVGKSA-N 0 0 343.826 3.247 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845888 1309553518 /nfs/dbraw/zinc/55/35/18/1309553518.db2.gz RGSBDAGGDMHUQZ-HZMBPMFUSA-N 0 0 344.224 3.295 10 10 EGCERN O=C(NC[C@@H]1CCC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897634680 1310416660 /nfs/dbraw/zinc/41/66/60/1310416660.db2.gz MMBZKMHXGQIUIN-MRVPVSSYSA-N 0 0 327.352 3.478 10 10 EGCERN O=C(N[C@H]1CCCC12CCOCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897671195 1310428820 /nfs/dbraw/zinc/42/88/20/1310428820.db2.gz UXNZADDUDJMCRI-INIZCTEOSA-N 0 0 347.436 3.392 10 10 EGCERN CO[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1(C)C ZINC000897900907 1310511881 /nfs/dbraw/zinc/51/18/81/1310511881.db2.gz LDKJGMWCBULMNL-HNNXBMFYSA-N 0 0 335.425 3.200 10 10 EGCERN CC1(CC(F)F)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898085128 1310583250 /nfs/dbraw/zinc/58/32/50/1310583250.db2.gz XLCAUQNLCQCZEA-UHFFFAOYSA-N 0 0 327.352 3.430 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)/C=C/C=C(Cl)Cl)C2)cc1 ZINC000898580790 1310795992 /nfs/dbraw/zinc/79/59/92/1310795992.db2.gz OISTXBMGRVOIOG-KMOQFTEPSA-N 0 0 341.238 3.265 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(CC2CCOCC2)C1 ZINC000899216203 1310982372 /nfs/dbraw/zinc/98/23/72/1310982372.db2.gz SMHBBAWQUUZOPD-UHFFFAOYSA-N 0 0 347.436 3.201 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000929537566 1328629222 /nfs/dbraw/zinc/62/92/22/1328629222.db2.gz PRMDHJHOTVPQIL-YSIASYRMSA-N 0 0 342.483 3.308 10 10 EGCERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CC2(C)COC2)cc1 ZINC000929951174 1328747447 /nfs/dbraw/zinc/74/74/47/1328747447.db2.gz PPCMVVHPZCYQRU-UHFFFAOYSA-N 0 0 342.439 3.301 10 10 EGCERN COc1ccc(N(Cc2ccco2)C[C@@H]2C[C@H]3COC[C@@H]3O2)cc1F ZINC000929990079 1328758737 /nfs/dbraw/zinc/75/87/37/1328758737.db2.gz BHWUPVVFWIKQCF-AXHNFQJDSA-N 0 0 347.386 3.238 10 10 EGCERN COCCN(CCSc1ccncc1)c1ccc(OC)c(OC)c1 ZINC000929995363 1328760470 /nfs/dbraw/zinc/76/04/70/1328760470.db2.gz DWQWXLKCIAUFIJ-UHFFFAOYSA-N 0 0 348.468 3.344 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCC34CC4)C2)cc1 ZINC000858598404 1328806483 /nfs/dbraw/zinc/80/64/83/1328806483.db2.gz DWRVLXOAWLUMDX-HOTGVXAUSA-N 0 0 343.471 3.153 10 10 EGCERN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC3(CCC3)O2)cc1 ZINC000913926887 1319179581 /nfs/dbraw/zinc/17/95/81/1319179581.db2.gz OZCLPZAOMTWRBG-QGZVFWFLSA-N 0 0 331.460 3.044 10 10 EGCERN O=C(C=Cc1ccccc1Cl)OCC(=O)c1ccc(O)c(O)c1 ZINC000916617448 1319685283 /nfs/dbraw/zinc/68/52/83/1319685283.db2.gz RUUJKQZTIQTYPB-SOFGYWHQSA-N 0 0 332.739 3.191 10 10 EGCERN Cc1cccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000918082888 1319914981 /nfs/dbraw/zinc/91/49/81/1319914981.db2.gz GGQBNUCQDSTFKQ-UHFFFAOYSA-N 0 0 338.455 3.330 10 10 EGCERN C[C@@H](NC(=O)[C@H]1CCCC12CC2)c1ccc(N2CCOCC2)cc1 ZINC000858786507 1328860140 /nfs/dbraw/zinc/86/01/40/1328860140.db2.gz RESBTFWBQHJZAM-CRAIPNDOSA-N 0 0 328.456 3.281 10 10 EGCERN C[C@H](CCCc1cccnc1)NC(=O)NCc1c(O)cccc1F ZINC000922831529 1322628364 /nfs/dbraw/zinc/62/83/64/1322628364.db2.gz JLESTMNEJSGJHM-CYBMUJFWSA-N 0 0 331.391 3.137 10 10 EGCERN O=C(COC(=O)c1cccc(O)c1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000859641665 1329042838 /nfs/dbraw/zinc/04/28/38/1329042838.db2.gz AKJKDDNWHYEZLG-NXEZZACHSA-N 0 0 346.301 3.192 10 10 EGCERN O=C(NCc1cc(NC(=O)C2=CCCC2)ccc1O)C1=CCCC1 ZINC000923121404 1322696512 /nfs/dbraw/zinc/69/65/12/1322696512.db2.gz ZKSOHZPEPKPKSO-UHFFFAOYSA-N 0 0 326.396 3.168 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCCn2nncc2C1 ZINC000923796745 1322812125 /nfs/dbraw/zinc/81/21/25/1322812125.db2.gz ALDHFLHONFNZNN-UHFFFAOYSA-N 0 0 349.438 3.040 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000924093419 1322898840 /nfs/dbraw/zinc/89/88/40/1322898840.db2.gz DIUQCECQPXFMDN-AFKMGRNLSA-N 0 0 341.329 3.302 10 10 EGCERN O=C(COC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(O)c(O)c1 ZINC000860150881 1329160521 /nfs/dbraw/zinc/16/05/21/1329160521.db2.gz IBDNNOWYTJOCGY-HUUCEWRRSA-N 0 0 344.338 3.157 10 10 EGCERN COc1ccc([C@H](C)NC(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000926272083 1325499087 /nfs/dbraw/zinc/49/90/87/1325499087.db2.gz QKALCBSZZUCFAY-ZDUSSCGKSA-N 0 0 326.396 3.496 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC(C)(C)[C@H](C)O)ccc1C ZINC000860516536 1329326255 /nfs/dbraw/zinc/32/62/55/1329326255.db2.gz DHVQZTKAJGIQKJ-HNNXBMFYSA-N 0 0 342.439 3.104 10 10 EGCERN CCOC[C@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000860986040 1329375942 /nfs/dbraw/zinc/37/59/42/1329375942.db2.gz MAJKHFAOGVVQHX-ZDUSSCGKSA-N 0 0 328.412 3.061 10 10 EGCERN C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000926951053 1327792337 /nfs/dbraw/zinc/79/23/37/1327792337.db2.gz WTFJZIJXGSURKT-DNJQJEMRSA-N 0 0 332.227 3.154 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000927127751 1327881295 /nfs/dbraw/zinc/88/12/95/1327881295.db2.gz JTHFFZYXSMIWDI-DZGCQCFKSA-N 0 0 333.428 3.321 10 10 EGCERN C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000927155220 1327896111 /nfs/dbraw/zinc/89/61/11/1327896111.db2.gz GMRAMJHKDZQRCX-PEELUZDISA-N 0 0 333.378 3.414 10 10 EGCERN C[C@H](NC(=O)NCC[C@H]1OCCc2ccccc21)c1ccccc1O ZINC000927675420 1328100967 /nfs/dbraw/zinc/10/09/67/1328100967.db2.gz XHTGWMLABSPOEA-IFXJQAMLSA-N 0 0 340.423 3.457 10 10 EGCERN COc1ccc2c(c1)[C@@H](C(=O)NCc1c(O)cccc1F)CCC2 ZINC000928706654 1328403841 /nfs/dbraw/zinc/40/38/41/1328403841.db2.gz UGNIPEXAJRWBCO-AWEZNQCLSA-N 0 0 329.371 3.276 10 10 EGCERN COc1ccc(OCCCC(=O)NCc2c(O)cccc2F)cc1 ZINC000928709923 1328405940 /nfs/dbraw/zinc/40/59/40/1328405940.db2.gz NZMQDXSRGXAROR-UHFFFAOYSA-N 0 0 333.359 3.015 10 10 EGCERN CC(C)(O)C1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862025013 1329455771 /nfs/dbraw/zinc/45/57/71/1329455771.db2.gz KTIVAEDZTUOKLP-UHFFFAOYSA-N 0 0 342.439 3.134 10 10 EGCERN Cc1nc(CCCC(=O)NCc2ccc3cccnc3c2O)cs1 ZINC000862027072 1329455828 /nfs/dbraw/zinc/45/58/28/1329455828.db2.gz IQPHOZUHFMMGBV-UHFFFAOYSA-N 0 0 341.436 3.344 10 10 EGCERN CC[C@@H](OC1CCCC1)C(=O)NCc1ccc2cccnc2c1O ZINC000862028445 1329456033 /nfs/dbraw/zinc/45/60/33/1329456033.db2.gz ZOHBVEUGJUQSIA-MRXNPFEDSA-N 0 0 328.412 3.294 10 10 EGCERN CC(=O)[C@@H](C)CCCCC(=O)NCc1ccc2cccnc2c1O ZINC000862027527 1329456101 /nfs/dbraw/zinc/45/61/01/1329456101.db2.gz VZZUYVPSVCIPPX-ZDUSSCGKSA-N 0 0 328.412 3.342 10 10 EGCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000862434467 1329486619 /nfs/dbraw/zinc/48/66/19/1329486619.db2.gz CNNGCXGZUNQNEK-LLVKDONJSA-N 0 0 337.704 3.274 10 10 EGCERN Cc1cc(CNC(=O)C(C)(C)c2c[nH]cn2)c(C)n1-c1ccccc1 ZINC000863164722 1329531674 /nfs/dbraw/zinc/53/16/74/1329531674.db2.gz UCFXXMZWVNSHEZ-UHFFFAOYSA-N 0 0 336.439 3.411 10 10 EGCERN Cc1cc(CNC(=O)c2cc3c([nH]2)CCOC3)c(C)n1-c1ccccc1 ZINC000863163570 1329531774 /nfs/dbraw/zinc/53/17/74/1329531774.db2.gz JALIBZWJYKVPRB-UHFFFAOYSA-N 0 0 349.434 3.425 10 10 EGCERN Cc1cc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)c(C)n1-c1ccccc1 ZINC000863163937 1329531779 /nfs/dbraw/zinc/53/17/79/1329531779.db2.gz UNAVUEWIVBZGRS-INIZCTEOSA-N 0 0 348.450 3.239 10 10 EGCERN Cc1cc(CC(=O)N[C@H]2CO[C@@H](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000863281724 1329543632 /nfs/dbraw/zinc/54/36/32/1329543632.db2.gz KBZQKNIPFORMGC-UYAOXDASSA-N 0 0 338.451 3.320 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1[nH]ncc1C(F)(F)F ZINC000865027118 1329662830 /nfs/dbraw/zinc/66/28/30/1329662830.db2.gz HNCVMJDAPWYRKY-UHFFFAOYSA-N 0 0 340.349 3.157 10 10 EGCERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@]12CCC[C@H]1OCC2 ZINC000865032302 1329663240 /nfs/dbraw/zinc/66/32/40/1329663240.db2.gz WYLYVSFXCORHTC-QUCCMNQESA-N 0 0 328.456 3.252 10 10 EGCERN CCOC1CC2(C[C@H]2C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC000865637289 1329723537 /nfs/dbraw/zinc/72/35/37/1329723537.db2.gz ZWHVKSQSGCHXEV-NGEICVOHSA-N 0 0 348.462 3.493 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2nc([C@@H]3C[C@@H]3C)no2)cc1 ZINC000865894510 1329749778 /nfs/dbraw/zinc/74/97/78/1329749778.db2.gz NMJNLIZFBIZUJW-XJKSGUPXSA-N 0 0 342.443 3.311 10 10 EGCERN C[C@H](NC(=O)Nc1cccnc1N1CCCC1)c1ccccc1O ZINC000866161311 1330072457 /nfs/dbraw/zinc/07/24/57/1330072457.db2.gz MYGUKZXWVGNBJT-ZDUSSCGKSA-N 0 0 326.400 3.270 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cccn(C(C)(C)C)c1=O ZINC000866598665 1330131719 /nfs/dbraw/zinc/13/17/19/1330131719.db2.gz LRVAKUFGVWLWNC-UHFFFAOYSA-N 0 0 342.439 3.361 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)OCCC(F)(F)F ZINC000867265779 1330189908 /nfs/dbraw/zinc/18/99/08/1330189908.db2.gz LPAGTYOJNGHXSP-UHFFFAOYSA-N 0 0 342.111 3.333 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2CSC[C@H]2C1 ZINC000868111998 1330250861 /nfs/dbraw/zinc/25/08/61/1330250861.db2.gz ITLYNMGJYOMBHA-IAGOWNOFSA-N 0 0 345.512 3.181 10 10 EGCERN COc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1ccccc1O ZINC000868193357 1330261094 /nfs/dbraw/zinc/26/10/94/1330261094.db2.gz MDNKIEKDLYCNFD-WFASDCNBSA-N 0 0 342.395 3.285 10 10 EGCERN C[C@H](NC(=O)NC[C@@H]1CSc2ccccc2O1)c1ccccc1O ZINC000868733290 1330326115 /nfs/dbraw/zinc/32/61/15/1330326115.db2.gz XXFVLEDHNSJCIP-QWHCGFSZSA-N 0 0 344.436 3.306 10 10 EGCERN COC(=O)c1cncc(CN2CCCc3cc(OC(F)F)ccc32)c1 ZINC001191653991 1367554054 /nfs/dbraw/zinc/55/40/54/1367554054.db2.gz BGITZZLEJSXYGW-UHFFFAOYSA-N 0 0 348.349 3.422 10 10 EGCERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC001326004988 1388100469 /nfs/dbraw/zinc/10/04/69/1388100469.db2.gz HSWYUSKODPXUJD-MAEOIBBWSA-N 0 0 343.471 3.208 10 10 EGCERN CC(C)Oc1ccc(C(=O)Nc2c3nonc3ccc2Cl)nc1 ZINC001117551146 1371052523 /nfs/dbraw/zinc/05/25/23/1371052523.db2.gz CWKBRIPCHGMDIY-UHFFFAOYSA-N 0 0 332.747 3.311 10 10 EGCERN CO[C@H]1CC[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001118749237 1371220890 /nfs/dbraw/zinc/22/08/90/1371220890.db2.gz RAQGORSGAGRQAF-HKUYNNGSSA-N 0 0 326.440 3.320 10 10 EGCERN Cc1cc(CCNc2cc(C)nc(CO)n2)c(C)n1-c1ccccc1 ZINC001118796834 1371230817 /nfs/dbraw/zinc/23/08/17/1371230817.db2.gz CNONXDPLQCFCQJ-UHFFFAOYSA-N 0 0 336.439 3.339 10 10 EGCERN CCOc1ccc(N2CCN(Cc3cc(CO)ccc3F)CC2)cc1 ZINC001118873686 1371244087 /nfs/dbraw/zinc/24/40/87/1371244087.db2.gz MMZMVOQOWAPBLL-UHFFFAOYSA-N 0 0 344.430 3.039 10 10 EGCERN CCc1nc(C)ncc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124622754 1372717337 /nfs/dbraw/zinc/71/73/37/1372717337.db2.gz UOMRYFJNTPZQMW-UHFFFAOYSA-N 0 0 338.455 3.220 10 10 EGCERN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001125256902 1372764340 /nfs/dbraw/zinc/76/43/40/1372764340.db2.gz PCDFCHPBCLYCSV-OXJNMPFZSA-N 0 0 348.462 3.495 10 10 EGCERN Cn1cnc(/C=C/C(=O)N2CCOc3c2cccc3C(C)(C)C)c1 ZINC001128149048 1373223996 /nfs/dbraw/zinc/22/39/96/1373223996.db2.gz BHNQJXCRWLPPTE-CMDGGOBGSA-N 0 0 325.412 3.156 10 10 EGCERN Cn1nc(C(=O)Nc2c3nonc3ccc2Cl)c2ccccc21 ZINC001128607500 1373297151 /nfs/dbraw/zinc/29/71/51/1373297151.db2.gz SMNGBZWGSMHHHD-UHFFFAOYSA-N 0 0 327.731 3.015 10 10 EGCERN Cc1cccc2c1CCN2C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001132821672 1375582728 /nfs/dbraw/zinc/58/27/28/1375582728.db2.gz IYPSCRBISMFVOK-HNNXBMFYSA-N 0 0 342.439 3.498 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)cc1 ZINC001230823389 1376159560 /nfs/dbraw/zinc/15/95/60/1376159560.db2.gz ZKVITWFFEKAHSQ-QGTPRVQTSA-N 0 0 347.503 3.392 10 10 EGCERN Cc1ncccc1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001234077508 1376764062 /nfs/dbraw/zinc/76/40/62/1376764062.db2.gz ZKADTEMXIPWBSU-UHFFFAOYSA-N 0 0 338.455 3.332 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2ccccc2-c2cn[nH]c2)cc1 ZINC001135914471 1377260371 /nfs/dbraw/zinc/26/03/71/1377260371.db2.gz GXFAVPOYFYLJKY-UHFFFAOYSA-N 0 0 334.423 3.415 10 10 EGCERN Cc1nc(-c2cccc(NC(=O)c3ccc(N=NC(N)=O)cc3)c2)n[nH]1 ZINC001136335287 1377378785 /nfs/dbraw/zinc/37/87/85/1377378785.db2.gz UYIJGAGHAYPADQ-UHFFFAOYSA-N 0 0 349.354 3.195 10 10 EGCERN CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001137298426 1377511868 /nfs/dbraw/zinc/51/18/68/1377511868.db2.gz PLJOFMSHCRHIHB-HXUWFJFHSA-N 0 0 325.408 3.422 10 10 EGCERN COCC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(C)o1 ZINC001137911601 1377643214 /nfs/dbraw/zinc/64/32/14/1377643214.db2.gz QYIADEMAVBMKNV-AWEZNQCLSA-N 0 0 344.371 3.258 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(OC(F)F)cn2)cc1 ZINC001141394870 1378316417 /nfs/dbraw/zinc/31/64/17/1378316417.db2.gz NFPDENOBXKMCIO-UHFFFAOYSA-N 0 0 335.270 3.098 10 10 EGCERN CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1C ZINC001142115442 1378413527 /nfs/dbraw/zinc/41/35/27/1378413527.db2.gz BYKFLKHHEYCOJL-UHFFFAOYSA-N 0 0 342.395 3.326 10 10 EGCERN C[C@H]([C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC001142234845 1378423415 /nfs/dbraw/zinc/42/34/15/1378423415.db2.gz FKZILNCSTRTLQX-JKSUJKDBSA-N 0 0 332.488 3.458 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(Cl)cn1C ZINC001142418809 1378441367 /nfs/dbraw/zinc/44/13/67/1378441367.db2.gz KZSNCBLPPBAVQD-ZDUSSCGKSA-N 0 0 333.863 3.414 10 10 EGCERN COc1ccc(C)cc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001142473974 1378446879 /nfs/dbraw/zinc/44/68/79/1378446879.db2.gz DXOMVROMXXJIFE-UHFFFAOYSA-N 0 0 326.356 3.096 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](C)CC(C)C ZINC001142687086 1378477032 /nfs/dbraw/zinc/47/70/32/1378477032.db2.gz KXUJDCPTXUAEKE-HNNXBMFYSA-N 0 0 335.444 3.356 10 10 EGCERN CC1(C)OC[C@H](/C=C\C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC001142844072 1378493839 /nfs/dbraw/zinc/49/38/39/1378493839.db2.gz KJTHBBXOQBSACL-LENZSSGSSA-N 0 0 344.455 3.001 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[C@@H](F)C1 ZINC001328009810 1388644370 /nfs/dbraw/zinc/64/43/70/1388644370.db2.gz KWAYJJBZSVOSQJ-HZPDHXFCSA-N 0 0 336.476 3.384 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1cccc(C(F)(F)F)c1F ZINC001153885861 1380149636 /nfs/dbraw/zinc/14/96/36/1380149636.db2.gz QFIWPPSFIOGKJB-UHFFFAOYSA-N 0 0 329.249 3.186 10 10 EGCERN COc1ccccc1NCC(=O)NCc1c(O)ccc2ccccc21 ZINC001157041315 1380758111 /nfs/dbraw/zinc/75/81/11/1380758111.db2.gz CYZSUOFOSKMABW-UHFFFAOYSA-N 0 0 336.391 3.282 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@H]1CCCC[C@@H]1CC ZINC001157102679 1380776285 /nfs/dbraw/zinc/77/62/85/1380776285.db2.gz OWDYENPJAKXOBV-YOEHRIQHSA-N 0 0 340.460 3.480 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)c1ncncc1Br ZINC001162062615 1382616658 /nfs/dbraw/zinc/61/66/58/1382616658.db2.gz RERJSNHSNCPKFD-UHFFFAOYSA-N 0 0 347.260 3.476 10 10 EGCERN O=C(c1ccc(F)c(O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001295406329 1382630492 /nfs/dbraw/zinc/63/04/92/1382630492.db2.gz RLFVGXBCKRRDDR-HNNXBMFYSA-N 0 0 345.370 3.058 10 10 EGCERN O=C(Cc1ccc(F)cc1F)NCc1ccc2cccnc2c1O ZINC001162612486 1382809169 /nfs/dbraw/zinc/80/91/69/1382809169.db2.gz KIWIMASTKRGYMI-UHFFFAOYSA-N 0 0 328.318 3.078 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[C@H](O)C1 ZINC001163232153 1383000969 /nfs/dbraw/zinc/00/09/69/1383000969.db2.gz PFDVRVNCIUGVMV-BBRMVZONSA-N 0 0 340.379 3.399 10 10 EGCERN O=C(COc1ccc2c(c1)CCC2)NCc1cc(Cl)ccc1O ZINC001165499291 1383303568 /nfs/dbraw/zinc/30/35/68/1383303568.db2.gz ZFXYFGSIMJMMMB-UHFFFAOYSA-N 0 0 331.799 3.230 10 10 EGCERN COC(=O)[C@H](C)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001299306243 1383505372 /nfs/dbraw/zinc/50/53/72/1383505372.db2.gz KGJILGXTAJMLEZ-YPUOHESYSA-N 0 0 341.363 3.026 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ncsc1Br ZINC001300395655 1383661996 /nfs/dbraw/zinc/66/19/96/1383661996.db2.gz ANFXCQSDRFBDCF-UHFFFAOYSA-N 0 0 347.621 3.195 10 10 EGCERN Cc1cc(C(=O)N[C@](C)(CO)c2ccccc2)c(C)n1-c1ccccn1 ZINC001300110759 1383644984 /nfs/dbraw/zinc/64/49/84/1383644984.db2.gz NFWSDNRCFBXLRR-OAQYLSRUSA-N 0 0 349.434 3.127 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)n2ccnc2)cc1 ZINC001301548564 1383719466 /nfs/dbraw/zinc/71/94/66/1383719466.db2.gz XHJYFMAZDCLWDU-UHFFFAOYSA-N 0 0 336.439 3.456 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1cnccc1-c1ccc(F)cc1 ZINC001302992888 1383777327 /nfs/dbraw/zinc/77/73/27/1383777327.db2.gz FBEAZLUAQLRSKZ-UHFFFAOYSA-N 0 0 338.338 3.480 10 10 EGCERN COc1ccc(C(=O)NCc2cc(O)ccc2O)c(OCC(C)C)c1 ZINC001303225474 1383788541 /nfs/dbraw/zinc/78/85/41/1383788541.db2.gz IXHUSNQSKMRSKP-UHFFFAOYSA-N 0 0 345.395 3.071 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1ccccc1-n1ccnn1 ZINC001304089771 1383829052 /nfs/dbraw/zinc/82/90/52/1383829052.db2.gz KZTPJYYZISJURQ-UHFFFAOYSA-N 0 0 344.374 3.056 10 10 EGCERN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCCN1CCOCC1 ZINC001171354075 1384500377 /nfs/dbraw/zinc/50/03/77/1384500377.db2.gz PFKXTMAOOQTFKI-GOSISDBHSA-N 0 0 332.488 3.052 10 10 EGCERN COC[C@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001171491185 1384539869 /nfs/dbraw/zinc/53/98/69/1384539869.db2.gz RZJPSJIQNLAGGJ-LJQANCHMSA-N 0 0 326.440 3.274 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC001174726110 1385140566 /nfs/dbraw/zinc/14/05/66/1385140566.db2.gz STUVSRLWDBWGOB-XXFAHNHDSA-N 0 0 347.789 3.493 10 10 EGCERN CCCCc1nc(C)c(CC(=O)NCc2c(O)cccc2O)s1 ZINC001178916778 1386347768 /nfs/dbraw/zinc/34/77/68/1386347768.db2.gz ASFVCVIOFNPNNT-UHFFFAOYSA-N 0 0 334.441 3.064 10 10 EGCERN O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1c(O)ccc2ccccc21 ZINC001179028985 1386381778 /nfs/dbraw/zinc/38/17/78/1386381778.db2.gz GUGBQJOCCAFPSX-MRXNPFEDSA-N 0 0 346.386 3.288 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1c(O)ccc2ccccc21 ZINC001179032265 1386383028 /nfs/dbraw/zinc/38/30/28/1386383028.db2.gz CWXQPJAKMJQECZ-POHAHGRESA-N 0 0 335.359 3.286 10 10 EGCERN Cc1cccn2cc(CC(=O)NCc3c(O)ccc4ccccc43)nc12 ZINC001179032966 1386383578 /nfs/dbraw/zinc/38/35/78/1386383578.db2.gz SBCLDHVFSUAQJH-UHFFFAOYSA-N 0 0 345.402 3.360 10 10 EGCERN CCn1ncc2cc(C(=O)NCc3cccc(Cl)c3O)c(C)nc21 ZINC001180409838 1386787530 /nfs/dbraw/zinc/78/75/30/1386787530.db2.gz GFCWVTNTKYUFPL-UHFFFAOYSA-N 0 0 344.802 3.049 10 10 EGCERN O=Cc1c[nH]c2cc(C(=O)NCc3cccc(Cl)c3O)ccc12 ZINC001180419910 1386791000 /nfs/dbraw/zinc/79/10/00/1386791000.db2.gz FNHONMOQGQFBCN-UHFFFAOYSA-N 0 0 328.755 3.269 10 10 EGCERN C[S@@](=O)(=NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(F)c1 ZINC001180569357 1386837518 /nfs/dbraw/zinc/83/75/18/1386837518.db2.gz VCZDPCZURBULFZ-DEOSSOPVSA-N 0 0 348.359 3.285 10 10 EGCERN C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC001330663654 1389489352 /nfs/dbraw/zinc/48/93/52/1389489352.db2.gz AWPVVYPHOHXMKG-HNNXBMFYSA-N 0 0 338.455 3.067 10 10 EGCERN CN(CCC1CCOCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001331616752 1389831111 /nfs/dbraw/zinc/83/11/11/1389831111.db2.gz AMTZYNPGXMSQJC-UHFFFAOYSA-N 0 0 335.425 3.201 10 10 EGCERN CC(C)(C)c1ccc(NC(=O)NCc2cccc(Cl)c2O)nn1 ZINC001341442566 1390487530 /nfs/dbraw/zinc/48/75/30/1390487530.db2.gz CVOFTQQNWZZQCV-UHFFFAOYSA-N 0 0 334.807 3.455 10 10 EGCERN Cc1cc(NCc2cc(F)c(N(C)C)cc2F)cc(OCCO)c1 ZINC001334901850 1390616642 /nfs/dbraw/zinc/61/66/42/1390616642.db2.gz IDRCBPLURDTPAZ-UHFFFAOYSA-N 0 0 336.382 3.322 10 10 EGCERN CC/C=C/[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC001345070979 1390835003 /nfs/dbraw/zinc/83/50/03/1390835003.db2.gz CNUZZLWWRMHRGS-IOMDMTNGSA-N 0 0 342.443 3.030 10 10 EGCERN CC1(C)C2CCC1(C(=O)NCc1ccc(N3CCOCC3)cc1)CC2 ZINC001346220588 1390916341 /nfs/dbraw/zinc/91/63/41/1390916341.db2.gz SDRFQNGGNJVVAY-UHFFFAOYSA-N 0 0 342.483 3.356 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(=O)c1ccc(F)cc1 ZINC001349106756 1391303232 /nfs/dbraw/zinc/30/32/32/1391303232.db2.gz QXVAPUBEXWMBAT-UHFFFAOYSA-N 0 0 340.398 3.267 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]1CC(=O)OC ZINC001349436131 1391330590 /nfs/dbraw/zinc/33/05/90/1391330590.db2.gz XPACVRORJDTDHU-GOEBONIOSA-N 0 0 348.443 3.046 10 10 EGCERN CC(C)(C(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC001349719596 1391358669 /nfs/dbraw/zinc/35/86/69/1391358669.db2.gz NQRRSLCTYGXBOO-UHFFFAOYSA-N 0 0 340.139 3.359 10 10 EGCERN O=C(NCCCSc1nccs1)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001350501753 1391472185 /nfs/dbraw/zinc/47/21/85/1391472185.db2.gz NXPVEIMCUGWGNZ-OUAUKWLOSA-N 0 0 347.456 3.358 10 10 EGCERN COc1cnc(F)c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001351672696 1391668763 /nfs/dbraw/zinc/66/87/63/1391668763.db2.gz GKRCHELMEYVHLO-UHFFFAOYSA-N 0 0 343.402 3.102 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ocnc1C(F)F ZINC001352626729 1391825656 /nfs/dbraw/zinc/82/56/56/1391825656.db2.gz MLECDGHSWSTBOE-UHFFFAOYSA-N 0 0 335.354 3.485 10 10 EGCERN CC[C@H](C)c1ccccc1OCC(=O)NCc1cccc(O)c1O ZINC001352658353 1391829882 /nfs/dbraw/zinc/82/98/82/1391829882.db2.gz SYZKLYHWULEZPM-ZDUSSCGKSA-N 0 0 329.396 3.307 10 10 EGCERN C/C(=C/C(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21)c1cnccn1 ZINC001354553346 1392152286 /nfs/dbraw/zinc/15/22/86/1392152286.db2.gz BTRHBJHUDIQUFC-SEVUFMINSA-N 0 0 329.787 3.347 10 10 EGCERN CCOCCn1c([C@@H](C)CC)nnc1N(C)Cc1ccccc1O ZINC001503201115 1396247412 /nfs/dbraw/zinc/24/74/12/1396247412.db2.gz QKLFIVMSLOQUQP-AWEZNQCLSA-N 0 0 332.448 3.170 10 10 EGCERN CC(C)Cc1nnc(N(C)C2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001692065927 1405758241 /nfs/dbraw/zinc/75/82/41/1405758241.db2.gz JPBGSNKDQNAEKD-UHFFFAOYSA-N 0 0 345.466 3.329 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N(C)C2CCC2)cc1 ZINC001695617171 1406100372 /nfs/dbraw/zinc/10/03/72/1406100372.db2.gz LMGSDHQQCDAXCG-UHFFFAOYSA-N 0 0 327.476 3.470 10 10 EGCERN CC[C@@H]1CCCN1c1nnc(C)n1Cc1ccc2c(c1)CCCN2C ZINC001709274511 1417431767 /nfs/dbraw/zinc/43/17/67/1417431767.db2.gz XUGZQJJOKSDLKO-GOSISDBHSA-N 0 0 339.487 3.396 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001724237130 1424747621 /nfs/dbraw/zinc/74/76/21/1424747621.db2.gz YFRLDWBFUNUGNQ-DZGCQCFKSA-N 0 0 327.476 3.244 10 10 EGCERN Cc1nnc(N2CCC=C(C)C2)n1CCCSc1nccs1 ZINC001724844298 1425194356 /nfs/dbraw/zinc/19/43/56/1425194356.db2.gz PIXGJNXRBFEYLT-UHFFFAOYSA-N 0 0 335.502 3.382 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1Cc1ccncc1Cl ZINC001726357096 1427048627 /nfs/dbraw/zinc/04/86/27/1427048627.db2.gz HRBUREWSCKNPPE-UHFFFAOYSA-N 0 0 343.818 3.025 10 10 EGCERN C[C@H]1C[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001726490802 1427064295 /nfs/dbraw/zinc/06/42/95/1427064295.db2.gz LUWUOTOYJMKVJX-BBRMVZONSA-N 0 0 326.444 3.229 10 10 EGCERN CCc1nnc(N(CC)C(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001727519045 1427109468 /nfs/dbraw/zinc/10/94/68/1427109468.db2.gz ZRNVSNBHPOZWSZ-UHFFFAOYSA-N 0 0 333.455 3.329 10 10 EGCERN CC[C@H]1CCN(c2nnc(C)n2CCCSc2nccs2)C1 ZINC001727754651 1427122696 /nfs/dbraw/zinc/12/26/96/1427122696.db2.gz GVRNXNAEOPZSLB-ZDUSSCGKSA-N 0 0 337.518 3.462 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2CC[C@@H](C)C2)cc1 ZINC001728382246 1427147449 /nfs/dbraw/zinc/14/74/49/1427147449.db2.gz SVPGRRRHDKUIEJ-OAHLLOKOSA-N 0 0 327.476 3.327 10 10 EGCERN CC[C@@H](Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C)OC ZINC001744193589 1439615028 /nfs/dbraw/zinc/61/50/28/1439615028.db2.gz VCTVLOXPZQONNR-HNNXBMFYSA-N 0 0 346.475 3.343 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2C[C@H]3CCC[C@@H]32)cc1 ZINC001746086392 1439851612 /nfs/dbraw/zinc/85/16/12/1439851612.db2.gz LOSKRQLGBMQGGQ-MJGOQNOKSA-N 0 0 339.487 3.470 10 10 EGCERN O=S(=O)(/C=C\c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000056697180 214385494 /nfs/dbraw/zinc/38/54/94/214385494.db2.gz OUPLCSSCBKXJQW-QINSGFPZSA-N 0 0 342.464 3.377 10 10 EGCERN Oc1ccc(CNCc2cc(F)ccc2Br)cc1O ZINC000037997430 213185698 /nfs/dbraw/zinc/18/56/98/213185698.db2.gz WEZFBUOVMNPKJP-UHFFFAOYSA-N 0 0 326.165 3.289 10 10 EGCERN CC1(C)OC(=O)C(=Cc2ccc(Oc3ccccc3)nc2)C(=O)O1 ZINC000000111435 209427479 /nfs/dbraw/zinc/42/74/79/209427479.db2.gz WWHBZJIFROKOJO-UHFFFAOYSA-N 0 0 325.320 3.093 10 10 EGCERN C[C@@H](C(=O)NC(C)(C)C)N1CCCc2cc(OC(F)F)ccc21 ZINC000055026463 132193017 /nfs/dbraw/zinc/19/30/17/132193017.db2.gz RPBFNPHFHUELCF-NSHDSACASA-N 0 0 326.387 3.344 10 10 EGCERN CCOC(=O)CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000005955586 452912120 /nfs/dbraw/zinc/91/21/20/452912120.db2.gz JCDIJYDWADOOGZ-YRNVUSSQSA-N 0 0 341.841 3.104 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cnc(C(C)C)s3)CC2)cc1 ZINC000120751361 454343219 /nfs/dbraw/zinc/34/32/19/454343219.db2.gz HBOWITKXJDTRJS-UHFFFAOYSA-N 0 0 345.468 3.238 10 10 EGCERN COC(=O)C1=CN(c2ccc(C)c(F)c2)c2ccccc2S1(=O)=O ZINC000064979164 454521805 /nfs/dbraw/zinc/52/18/05/454521805.db2.gz HAKUALIPJQSRCQ-UHFFFAOYSA-N 0 0 347.367 3.074 10 10 EGCERN COc1ccc(CC2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000154876853 454938954 /nfs/dbraw/zinc/93/89/54/454938954.db2.gz OBLHCWMPKGCBRM-UHFFFAOYSA-N 0 0 338.451 3.301 10 10 EGCERN COc1cc(OC)cc(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)c1 ZINC000170615331 454943072 /nfs/dbraw/zinc/94/30/72/454943072.db2.gz LFIDYIJIWNLVGC-GOSISDBHSA-N 0 0 340.379 3.107 10 10 EGCERN COc1cccc(CN[C@@H](c2noc(C)n2)c2ccccc2F)c1O ZINC000114773459 454978086 /nfs/dbraw/zinc/97/80/86/454978086.db2.gz WSRVVFOFWYMSCE-MRXNPFEDSA-N 0 0 343.358 3.111 10 10 EGCERN C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115672 455504202 /nfs/dbraw/zinc/50/42/02/455504202.db2.gz RPCPOJJVMMZYSG-VXGBXAGGSA-N 0 0 347.286 3.196 10 10 EGCERN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000172183454 455132924 /nfs/dbraw/zinc/13/29/24/455132924.db2.gz QAOWLWCWWXJTCW-AWEZNQCLSA-N 0 0 349.450 3.040 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-c2ncon2)cc1 ZINC000174511815 455398642 /nfs/dbraw/zinc/39/86/42/455398642.db2.gz OVQXBJFFNPGLFN-UHFFFAOYSA-N 0 0 349.390 3.251 10 10 EGCERN C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000185663496 455591572 /nfs/dbraw/zinc/59/15/72/455591572.db2.gz AFJVTCRSFSBTPI-KCJUWKMLSA-N 0 0 327.215 3.476 10 10 EGCERN CC(C)C[C@H]1C(=O)N(Cc2ccc(N3CCCC3)cc2)C(=O)N1C ZINC000292429838 455660379 /nfs/dbraw/zinc/66/03/79/455660379.db2.gz ISYVECANOSVJQE-KRWDZBQOSA-N 0 0 329.444 3.096 10 10 EGCERN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC[C@H]1C ZINC000294410536 455814820 /nfs/dbraw/zinc/81/48/20/455814820.db2.gz WKKKFRINJJUXLL-GHMZBOCLSA-N 0 0 328.815 3.064 10 10 EGCERN COC(=O)/C=C/c1ccc(N2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000301566332 456147708 /nfs/dbraw/zinc/14/77/08/456147708.db2.gz PYYBTAHEDBNKII-LUVVUQNESA-N 0 0 330.384 3.407 10 10 EGCERN Cc1cccc2c(NCc3ccc(N4CCOCC4)cc3)ncnc12 ZINC000301656417 456175782 /nfs/dbraw/zinc/17/57/82/456175782.db2.gz HXVPRJLZAMZXKR-UHFFFAOYSA-N 0 0 334.423 3.387 10 10 EGCERN Cc1cccc(CNc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c1O ZINC000290115059 456243690 /nfs/dbraw/zinc/24/36/90/456243690.db2.gz IMSADJSLYCYEEZ-CYBMUJFWSA-N 0 0 339.395 3.066 10 10 EGCERN COc1cc2c(cc1F)ncnc2NCc1ccc(N(C)C)cc1 ZINC000302190754 456313110 /nfs/dbraw/zinc/31/31/10/456313110.db2.gz YTVFMEKIQUKHDC-UHFFFAOYSA-N 0 0 326.375 3.456 10 10 EGCERN C[C@H]1OCCC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000276697355 456554807 /nfs/dbraw/zinc/55/48/07/456554807.db2.gz AOBPXRCLYUJFKS-KGLIPLIRSA-N 0 0 336.395 3.150 10 10 EGCERN Cc1cc(C(=O)N(C(C)C)[C@H]2CCOC2)c(C)n1-c1ccccn1 ZINC000291746383 456741406 /nfs/dbraw/zinc/74/14/06/456741406.db2.gz YADAEZMIMAVUDR-INIZCTEOSA-N 0 0 327.428 3.129 10 10 EGCERN Cn1cc(-c2c[nH]cc2C(=O)N2CCc3cc(Cl)ccc32)cn1 ZINC000341694645 456903253 /nfs/dbraw/zinc/90/32/53/456903253.db2.gz IYHUPXBYCGHSPU-UHFFFAOYSA-N 0 0 326.787 3.272 10 10 EGCERN C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(F)ccc1O ZINC000373864098 457376153 /nfs/dbraw/zinc/37/61/53/457376153.db2.gz USDMNIBKLUJIES-FMKPAKJESA-N 0 0 334.435 3.363 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@H]2CCCc3nc(C)sc32)c1 ZINC000374745353 457699538 /nfs/dbraw/zinc/69/95/38/457699538.db2.gz WVHRLASJGQWSJL-AWEZNQCLSA-N 0 0 347.440 3.043 10 10 EGCERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000368886540 458064612 /nfs/dbraw/zinc/06/46/12/458064612.db2.gz CUKJHHSUOQPWHK-HNNXBMFYSA-N 0 0 343.379 3.092 10 10 EGCERN Cc1cc(C(=O)N2CC([C@H]3CCOC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000373416014 458486842 /nfs/dbraw/zinc/48/68/42/458486842.db2.gz FQBLNYRJPDVTDS-HNNXBMFYSA-N 0 0 342.414 3.342 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000377258555 458494180 /nfs/dbraw/zinc/49/41/80/458494180.db2.gz SIQIOTAJHHAHJS-UHFFFAOYSA-N 0 0 332.766 3.055 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)c1O ZINC000528788797 459814325 /nfs/dbraw/zinc/81/43/25/459814325.db2.gz LOBGRSXKPQLVMS-HNNXBMFYSA-N 0 0 347.802 3.081 10 10 EGCERN Brc1cncnc1NCc1ccc(N2CCCC2)cc1 ZINC000268989866 547339986 /nfs/dbraw/zinc/33/99/86/547339986.db2.gz JMJKQWMYSSQVMY-UHFFFAOYSA-N 0 0 333.233 3.451 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000730569550 575002187 /nfs/dbraw/zinc/00/21/87/575002187.db2.gz YLDAVATYKCSFDL-FNORWQNLSA-N 0 0 348.399 3.175 10 10 EGCERN C[C@H]1CCCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000734008600 575423625 /nfs/dbraw/zinc/42/36/25/575423625.db2.gz HEBIVDMTRMDBMF-HNNXBMFYSA-N 0 0 349.450 3.136 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cscn1 ZINC000735887046 575731563 /nfs/dbraw/zinc/73/15/63/575731563.db2.gz KGNMIAFIIHQCQG-UHFFFAOYSA-N 0 0 332.473 3.329 10 10 EGCERN CO[C@@H](C)CN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000740846520 576629116 /nfs/dbraw/zinc/62/91/16/576629116.db2.gz JHGMGWNLQMYKND-HNNXBMFYSA-N 0 0 329.444 3.375 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000740909333 576636102 /nfs/dbraw/zinc/63/61/02/576636102.db2.gz KTAHYZBLTCTOAQ-UXHICEINSA-N 0 0 333.435 3.418 10 10 EGCERN [NH3+]C[C@@H]1CCCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708098590 1298234689 /nfs/dbraw/zinc/23/46/89/1298234689.db2.gz KQLHUWXRTLEKFT-JTQLQIEISA-N 0 0 347.684 3.369 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)cc1 ZINC000044005698 1291467815 /nfs/dbraw/zinc/46/78/15/1291467815.db2.gz GWJHYKXPZKMQSU-UHFFFAOYSA-N 0 0 349.434 3.447 10 10 EGCERN CCOC(=O)CN(C(=O)/C=C/c1cncc(C)c1)c1ccc(F)cc1 ZINC000121392530 1293368527 /nfs/dbraw/zinc/36/85/27/1293368527.db2.gz YYMNVNLKLBSFKY-RUDMXATFSA-N 0 0 342.370 3.139 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000131589588 1293694685 /nfs/dbraw/zinc/69/46/85/1293694685.db2.gz PDVDOBPLWMPINF-DOTOQJQBSA-N 0 0 330.378 3.451 10 10 EGCERN Nc1ccc(Cc2nc(-c3ncccc3Br)no2)cc1 ZINC000139899192 1293847821 /nfs/dbraw/zinc/84/78/21/1293847821.db2.gz NNBDOJMYLHMNMF-UHFFFAOYSA-N 0 0 331.173 3.067 10 10 EGCERN C[C@@H](CO)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000154960026 1294078628 /nfs/dbraw/zinc/07/86/28/1294078628.db2.gz CCNJDGYZKMRXNV-HOCLYGCPSA-N 0 0 332.469 3.450 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000186442846 1295328684 /nfs/dbraw/zinc/32/86/84/1295328684.db2.gz FJYSZDCWRIKDKA-LBPRGKRZSA-N 0 0 343.427 3.230 10 10 EGCERN COc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1OC(C)C ZINC000871199876 1296269650 /nfs/dbraw/zinc/26/96/50/1296269650.db2.gz VKFWNOUTOVMKTE-UHFFFAOYSA-N 0 0 327.380 3.344 10 10 EGCERN COc1ccc(C(C)(C)C(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000871202551 1296271234 /nfs/dbraw/zinc/27/12/34/1296271234.db2.gz ACQCVKNXDBPTAI-UHFFFAOYSA-N 0 0 341.407 3.229 10 10 EGCERN COc1ccc(COCCCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871202635 1296271344 /nfs/dbraw/zinc/27/13/44/1296271344.db2.gz CZOTVCSMIIZWOT-UHFFFAOYSA-N 0 0 341.407 3.240 10 10 EGCERN O=C([C@@H]1CSC[C@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871206035 1296273106 /nfs/dbraw/zinc/27/31/06/1296273106.db2.gz PAVRXWWLOCOGNZ-DLBZAZTESA-N 0 0 325.433 3.381 10 10 EGCERN O=C([C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12)N1Cc2cccc(O)c2C1 ZINC000871207244 1296273356 /nfs/dbraw/zinc/27/33/56/1296273356.db2.gz LGASDTSNDXDXAO-BMGDILEWSA-N 0 0 325.795 3.474 10 10 EGCERN CC(C)(C)c1cnc(SCc2cn(C[C@@H]3CCOC3)nn2)s1 ZINC000871657523 1296471081 /nfs/dbraw/zinc/47/10/81/1296471081.db2.gz DBQHIJHORIUXJV-NSHDSACASA-N 0 0 338.502 3.361 10 10 EGCERN C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000708100109 1298236107 /nfs/dbraw/zinc/23/61/07/1298236107.db2.gz RKBMXBYDUNXBJF-GXSJLCMTSA-N 0 0 347.684 3.225 10 10 EGCERN CC(C)[NH+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708140224 1298237278 /nfs/dbraw/zinc/23/72/78/1298237278.db2.gz JLOXSBNHWBOSBY-UHFFFAOYSA-N 0 0 347.684 3.334 10 10 EGCERN CC(=O)c1cc(Cl)cc(CNC2(c3ncccn3)CCC2)c1O ZINC000880365413 1301083333 /nfs/dbraw/zinc/08/33/33/1301083333.db2.gz KACGUHRZPGJHFM-UHFFFAOYSA-N 0 0 331.803 3.207 10 10 EGCERN C[C@H]1CO[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC000888811291 1304285268 /nfs/dbraw/zinc/28/52/68/1304285268.db2.gz NEPUYAGLQRHFQN-DOMZBBRYSA-N 0 0 344.377 3.069 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2[nH]cnc2c1F ZINC000895710803 1309482352 /nfs/dbraw/zinc/48/23/52/1309482352.db2.gz KQTSKMKIZCSLGS-UHFFFAOYSA-N 0 0 338.386 3.232 10 10 EGCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000895750190 1309502808 /nfs/dbraw/zinc/50/28/08/1309502808.db2.gz XGPOGGXCRVNIRM-CYBMUJFWSA-N 0 0 327.758 3.017 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cnn2c1cccc2OC ZINC000896057688 1309678304 /nfs/dbraw/zinc/67/83/04/1309678304.db2.gz MPMRQSFUNULBGO-UHFFFAOYSA-N 0 0 339.395 3.101 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC2(C1)CC(F)(F)C2 ZINC000897139621 1310199656 /nfs/dbraw/zinc/19/96/56/1310199656.db2.gz NXJIMZKNBSHHOY-UHFFFAOYSA-N 0 0 325.336 3.184 10 10 EGCERN CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897193272 1310217983 /nfs/dbraw/zinc/21/79/83/1310217983.db2.gz YJKFSIVWQWMDNO-OAHLLOKOSA-N 0 0 337.441 3.085 10 10 EGCERN CC(C)[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCCO1 ZINC000897864241 1310497948 /nfs/dbraw/zinc/49/79/48/1310497948.db2.gz MWSGZBGJIIIEPZ-CQSZACIVSA-N 0 0 335.425 3.200 10 10 EGCERN O=C(NC[C@H]1CCOC2(CCC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897898593 1310511634 /nfs/dbraw/zinc/51/16/34/1310511634.db2.gz MZILUOXZALNEOK-NSHDSACASA-N 0 0 347.436 3.392 10 10 EGCERN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C1(O)CCCC1 ZINC000897933826 1310522000 /nfs/dbraw/zinc/52/20/00/1310522000.db2.gz GOOQXDVXFQCZLE-UHFFFAOYSA-N 0 0 349.452 3.374 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1csc(C(F)(F)F)n1 ZINC000857548195 1328546931 /nfs/dbraw/zinc/54/69/31/1328546931.db2.gz IBSOAUMYFDTOHK-UHFFFAOYSA-N 0 0 336.722 3.451 10 10 EGCERN C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2F)C[C@H](C)O1 ZINC000858100463 1328681973 /nfs/dbraw/zinc/68/19/73/1328681973.db2.gz HSNDSQKSKAWVBQ-OKILXGFUSA-N 0 0 347.409 3.263 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000858464194 1328768769 /nfs/dbraw/zinc/76/87/69/1328768769.db2.gz IXDSERIHAMZAGI-PBHICJAKSA-N 0 0 346.471 3.236 10 10 EGCERN CC[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858523914 1328787590 /nfs/dbraw/zinc/78/75/90/1328787590.db2.gz YRYRDUPNFPNLEL-GWCFXTLKSA-N 0 0 333.259 3.070 10 10 EGCERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCS1 ZINC000915391328 1319479539 /nfs/dbraw/zinc/47/95/39/1319479539.db2.gz ZMPKXMNKEOBTNH-CJNGLKHVSA-N 0 0 333.501 3.152 10 10 EGCERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCc1c(O)cccc1F ZINC000916609348 1319684217 /nfs/dbraw/zinc/68/42/17/1319684217.db2.gz LWORUCIHSWHMJV-OAHLLOKOSA-N 0 0 330.359 3.081 10 10 EGCERN CN(Cc1ccccc1O)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000917311103 1319785549 /nfs/dbraw/zinc/78/55/49/1319785549.db2.gz CJFLRXUAUQDTNB-UHFFFAOYSA-N 0 0 339.313 3.492 10 10 EGCERN COC[C@H]1CCN1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000858907636 1328887578 /nfs/dbraw/zinc/88/75/78/1328887578.db2.gz ZOVHDEFUBNHYGO-GOSISDBHSA-N 0 0 327.428 3.024 10 10 EGCERN CCC(CC)c1cc(CNC(=O)NCc2c(O)cccc2F)on1 ZINC000920500874 1322185449 /nfs/dbraw/zinc/18/54/49/1322185449.db2.gz LMOABCLRMCGFRF-UHFFFAOYSA-N 0 0 335.379 3.422 10 10 EGCERN CC[C@@H](C)Oc1cc(CNC(=O)NCc2c(O)cccc2F)ccn1 ZINC000921824473 1322406164 /nfs/dbraw/zinc/40/61/64/1322406164.db2.gz HANGEUXNGCXYDN-GFCCVEGCSA-N 0 0 347.390 3.103 10 10 EGCERN C[C@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000922053949 1322445799 /nfs/dbraw/zinc/44/57/99/1322445799.db2.gz HALSQLGFSFPMNU-WMLDXEAASA-N 0 0 331.460 3.215 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922456425 1322531700 /nfs/dbraw/zinc/53/17/00/1322531700.db2.gz BRTXLBQPSFMDEE-WRWORJQWSA-N 0 0 327.705 3.384 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@H](C2CCOCC2)C1 ZINC000922780839 1322616183 /nfs/dbraw/zinc/61/61/83/1322616183.db2.gz LQTUZKGPSWBYIR-WVRJYTFGSA-N 0 0 345.439 3.166 10 10 EGCERN O=C(NCc1c(O)cccc1F)NCC1(C(F)(F)F)CCCC1 ZINC000923468187 1322757287 /nfs/dbraw/zinc/75/72/87/1322757287.db2.gz KQXDWGCEQOEXGH-UHFFFAOYSA-N 0 0 334.313 3.453 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)NCc2cnc(Cl)s2)c1 ZINC000923693909 1322791615 /nfs/dbraw/zinc/79/16/15/1322791615.db2.gz TYICHCNPPPFAQC-QMMMGPOBSA-N 0 0 341.820 3.071 10 10 EGCERN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C12CC(C1)C2 ZINC000859676084 1329051371 /nfs/dbraw/zinc/05/13/71/1329051371.db2.gz ZTZMJJCNWJDNFF-XYEKJYRLSA-N 0 0 336.382 3.173 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)OCc2ccccc2C)c1 ZINC000860241078 1329181906 /nfs/dbraw/zinc/18/19/06/1329181906.db2.gz GMURHUQDBMPSGR-HUUCEWRRSA-N 0 0 343.423 3.492 10 10 EGCERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000925116990 1325052253 /nfs/dbraw/zinc/05/22/53/1325052253.db2.gz MYDRJNLSXMISLK-PKIAMQTDSA-N 0 0 348.830 3.102 10 10 EGCERN O=C(CC1CCC(F)(F)CC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000860334104 1329305813 /nfs/dbraw/zinc/30/58/13/1329305813.db2.gz IEIAIUTZMXRMHO-UHFFFAOYSA-N 0 0 328.311 3.039 10 10 EGCERN C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000860348343 1329307882 /nfs/dbraw/zinc/30/78/82/1329307882.db2.gz XAYGBQAABSGMOF-JSGCOSHPSA-N 0 0 345.361 3.488 10 10 EGCERN C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000926948686 1327791626 /nfs/dbraw/zinc/79/16/26/1327791626.db2.gz OKZSBKNIGWUKIY-FHTCGPRVSA-N 0 0 332.227 3.154 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(C)CCCCO1 ZINC000927190616 1327913660 /nfs/dbraw/zinc/91/36/60/1327913660.db2.gz LQSCOUSZAZHGSS-LJQANCHMSA-N 0 0 333.476 3.243 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCc3cccnc32)c1 ZINC000927385266 1327997177 /nfs/dbraw/zinc/99/71/77/1327997177.db2.gz PUNYRUMVWWOLPT-WBMJQRKESA-N 0 0 341.411 3.234 10 10 EGCERN O=C(NCc1cccc(Br)c1O)NC[C@]12C[C@H]1CCC2 ZINC000927706997 1328114378 /nfs/dbraw/zinc/11/43/78/1328114378.db2.gz CLCBAPUCIREAKK-ABAIWWIYSA-N 0 0 339.233 3.144 10 10 EGCERN C[C@H](CC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000861332765 1329409420 /nfs/dbraw/zinc/40/94/20/1329409420.db2.gz VUNNCWRWVUYVRQ-SSDOTTSWSA-N 0 0 340.139 3.359 10 10 EGCERN O=C(NCc1c(O)cccc1F)C1(Cc2ccccc2)CCOCC1 ZINC000928704996 1328403661 /nfs/dbraw/zinc/40/36/61/1328403661.db2.gz BVYGUGQTAYHONX-UHFFFAOYSA-N 0 0 343.398 3.187 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1cccc([C@@H]2CCCOC2)c1 ZINC000928705492 1328403982 /nfs/dbraw/zinc/40/39/82/1328403982.db2.gz KOHADZKHNWUGRG-OAHLLOKOSA-N 0 0 329.371 3.355 10 10 EGCERN CC(=O)c1cc(C(=O)NCc2c(O)cccc2F)ccc1OC(C)C ZINC000928707023 1328404419 /nfs/dbraw/zinc/40/44/19/1328404419.db2.gz ZUFNAJBHWPMCMA-UHFFFAOYSA-N 0 0 345.370 3.451 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1cccc(OC[C@H]2CCCO2)c1 ZINC000928709287 1328405127 /nfs/dbraw/zinc/40/51/27/1328405127.db2.gz HXENVBOARWPDFQ-OAHLLOKOSA-N 0 0 345.370 3.019 10 10 EGCERN CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1c(O)cccc1F ZINC000928710283 1328405758 /nfs/dbraw/zinc/40/57/58/1328405758.db2.gz AFMKCHNIUOUKLS-UHFFFAOYSA-N 0 0 344.386 3.446 10 10 EGCERN Cc1ccccc1C1(C(=O)NCc2c(O)cccc2F)CCOCC1 ZINC000928712565 1328407601 /nfs/dbraw/zinc/40/76/01/1328407601.db2.gz SXLXTKUORDMTQR-UHFFFAOYSA-N 0 0 343.398 3.204 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCCCF)cc1 ZINC000861788649 1329441756 /nfs/dbraw/zinc/44/17/56/1329441756.db2.gz IPPZSNWKLUELPJ-UHFFFAOYSA-N 0 0 330.403 3.315 10 10 EGCERN CC[C@H](C(=O)NCc1ccc2cccnc2c1O)c1c(C)noc1C ZINC000862027701 1329456138 /nfs/dbraw/zinc/45/61/38/1329456138.db2.gz CGDKGTPKBQLVCV-HNNXBMFYSA-N 0 0 339.395 3.355 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](C)C(F)(F)F)C2)cc1 ZINC000862035295 1329456392 /nfs/dbraw/zinc/45/63/92/1329456392.db2.gz PPCMKEQCBDOHHS-OLZOCXBDSA-N 0 0 344.377 3.226 10 10 EGCERN Cc1cc(CN2C(=O)N3CC4CC3(C4)C2=O)c(C)n1-c1cccc(C)c1 ZINC000863533405 1329561100 /nfs/dbraw/zinc/56/11/00/1329561100.db2.gz OPRWUXXWWBBEOV-UHFFFAOYSA-N 0 0 349.434 3.329 10 10 EGCERN COc1cccc([C@H](O)C2CCN(C(=O)C3=CC(=O)CS3)CC2)c1 ZINC000863738699 1329578854 /nfs/dbraw/zinc/57/88/54/1329578854.db2.gz OBCAJJJTHJDANB-QGZVFWFLSA-N 0 0 347.436 3.048 10 10 EGCERN CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(C(=O)[O-])CCCOC2)cc1 ZINC000864524980 1329622520 /nfs/dbraw/zinc/62/25/20/1329622520.db2.gz ODHUZTIMXQESJM-FQEVSTJZSA-N 0 0 348.487 3.284 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000864633796 1329632447 /nfs/dbraw/zinc/63/24/47/1329632447.db2.gz LRWCUEGSRVBUKB-SFHVURJKSA-N 0 0 330.472 3.450 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCCO2)cc1 ZINC000864926715 1329652438 /nfs/dbraw/zinc/65/24/38/1329652438.db2.gz MVRUXSQLTIROQT-QGZVFWFLSA-N 0 0 342.443 3.037 10 10 EGCERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC2CSC2)cc1 ZINC000865060547 1329666129 /nfs/dbraw/zinc/66/61/29/1329666129.db2.gz QUIKUSGSRXTGPF-GOSISDBHSA-N 0 0 348.512 3.013 10 10 EGCERN C[C@H](NC(=S)N[C@H]1CCOc2ccccc21)c1ccccc1O ZINC000865270028 1329681810 /nfs/dbraw/zinc/68/18/10/1329681810.db2.gz IXIOWOZAEBKDEF-WFASDCNBSA-N 0 0 328.437 3.441 10 10 EGCERN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cccc(C(F)(F)F)c1[O-] ZINC000866447288 1330113498 /nfs/dbraw/zinc/11/34/98/1330113498.db2.gz YWJNISDJTAUNPY-JNHQXUEESA-N 0 0 327.346 3.485 10 10 EGCERN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)Oc1ccc(F)cc1 ZINC000868321983 1330270717 /nfs/dbraw/zinc/27/07/17/1330270717.db2.gz ZGCVAXWRUKMSQN-OLZOCXBDSA-N 0 0 332.375 3.359 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000868441379 1330281113 /nfs/dbraw/zinc/28/11/13/1330281113.db2.gz SREORJWWDWHPKU-SDNTUTLCSA-N 0 0 330.428 3.100 10 10 EGCERN CN1CCCc2cc(CNC(=O)NCC[C@H]3CCSC3)ccc21 ZINC000868833307 1330356340 /nfs/dbraw/zinc/35/63/40/1330356340.db2.gz ZUFKIIWNJDZQQB-AWEZNQCLSA-N 0 0 333.501 3.011 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC2(CSC2)C1 ZINC000868888806 1330367756 /nfs/dbraw/zinc/36/77/56/1330367756.db2.gz DSRNSJQEURUROY-AWEZNQCLSA-N 0 0 332.513 3.251 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)cc1 ZINC000868955574 1330380749 /nfs/dbraw/zinc/38/07/49/1330380749.db2.gz CDKMJOVTHAOTKQ-BMGDILEWSA-N 0 0 330.472 3.320 10 10 EGCERN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC(=O)NCC1CCC1 ZINC001195324287 1368421064 /nfs/dbraw/zinc/42/10/64/1368421064.db2.gz NYYQQQNSOPFMKP-QGZVFWFLSA-N 0 0 330.472 3.246 10 10 EGCERN COC(=O)c1cnc(Sc2cccc(Br)n2)s1 ZINC001186557341 1387970045 /nfs/dbraw/zinc/97/00/45/1387970045.db2.gz VIJHDHLEDHTJEH-UHFFFAOYSA-N 0 0 331.216 3.238 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H](F)C3)C2)cc1 ZINC001326170209 1388122801 /nfs/dbraw/zinc/12/28/01/1388122801.db2.gz OOPOBZBNYXEAHY-BZUAXINKSA-N 0 0 334.435 3.166 10 10 EGCERN Cc1cnc([C@H](NC(=O)NCc2c(O)cccc2F)C2CC2)s1 ZINC001119609458 1371374579 /nfs/dbraw/zinc/37/45/79/1371374579.db2.gz POVRALMKESIBJK-CQSZACIVSA-N 0 0 335.404 3.247 10 10 EGCERN CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CCF)C(=O)[O-])cc1 ZINC001119610990 1371374909 /nfs/dbraw/zinc/37/49/09/1371374909.db2.gz ATDQNGRLHRGZKV-INIZCTEOSA-N 0 0 336.432 3.287 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Nc2ccc(CO)cc2)cc1F ZINC001123433819 1372466409 /nfs/dbraw/zinc/46/64/09/1372466409.db2.gz CJAIFQARRXPZCZ-UHFFFAOYSA-N 0 0 345.418 3.486 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc2cc[nH]c2c1 ZINC001124622005 1372717031 /nfs/dbraw/zinc/71/70/31/1372717031.db2.gz AKIDSBIGJZYGQC-UHFFFAOYSA-N 0 0 334.423 3.435 10 10 EGCERN CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1C ZINC001125469685 1372792620 /nfs/dbraw/zinc/79/26/20/1372792620.db2.gz XVMQQRCMMKVSSA-UHFFFAOYSA-N 0 0 328.387 3.333 10 10 EGCERN Cc1ncccc1/C=C\C(=O)N(C)c1ccc(Br)nc1 ZINC001126579753 1372977553 /nfs/dbraw/zinc/97/75/53/1372977553.db2.gz YUIGLHQFNHPRML-YVMONPNESA-N 0 0 332.201 3.224 10 10 EGCERN Cc1ccc(/C=C/C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cn1 ZINC001129215005 1373362002 /nfs/dbraw/zinc/36/20/02/1373362002.db2.gz RZAXQGOJPFHVTC-QPJJXVBHSA-N 0 0 327.315 3.040 10 10 EGCERN Cc1cc(CNC(=O)c2cc(C)ncn2)c(C)n1-c1cccc(C)c1 ZINC001132043346 1375113470 /nfs/dbraw/zinc/11/34/70/1375113470.db2.gz FAOQXRIHXAVYGG-UHFFFAOYSA-N 0 0 334.423 3.431 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC2CCC3(CC3)CC2)cc1 ZINC001227883216 1375486859 /nfs/dbraw/zinc/48/68/59/1375486859.db2.gz SDWTUMASSKFLOU-UHFFFAOYSA-N 0 0 345.487 3.496 10 10 EGCERN COC[C@H](NC(=O)NCc1cc(C)n(-c2ccccc2)c1C)C1CC1 ZINC001230699300 1376127785 /nfs/dbraw/zinc/12/77/85/1376127785.db2.gz ZYPVNCNJQCPMRT-IBGZPJMESA-N 0 0 341.455 3.318 10 10 EGCERN CC(C)CCn1nccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135775987 1377209172 /nfs/dbraw/zinc/20/91/72/1377209172.db2.gz UVHYJTHARCVXGV-UHFFFAOYSA-N 0 0 328.376 3.344 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2nccn2C(C)C)cc1F ZINC001136730336 1377418126 /nfs/dbraw/zinc/41/81/26/1377418126.db2.gz LPUVJCUGEHHQRM-UHFFFAOYSA-N 0 0 332.423 3.379 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1ccc(C=O)cc1 ZINC001136972328 1377447891 /nfs/dbraw/zinc/44/78/91/1377447891.db2.gz JCBQWJQHXZCLQK-JXMROGBWSA-N 0 0 336.391 3.004 10 10 EGCERN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001137145334 1377485211 /nfs/dbraw/zinc/48/52/11/1377485211.db2.gz AJJRXBJNJITVDN-WLRWDXFRSA-N 0 0 329.371 3.219 10 10 EGCERN O=C(NCc1ccccc1O)c1ccnc(Cl)c1Br ZINC001137471664 1377553936 /nfs/dbraw/zinc/55/39/36/1377553936.db2.gz VMUQMQKWBMUFNZ-UHFFFAOYSA-N 0 0 341.592 3.133 10 10 EGCERN CC(C)[C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)CCO1 ZINC001141105371 1378241110 /nfs/dbraw/zinc/24/11/10/1378241110.db2.gz MJHLBBNIHLOQHV-SWLSCSKDSA-N 0 0 332.404 3.030 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2ccccc2O1 ZINC001142410979 1378440705 /nfs/dbraw/zinc/44/07/05/1378440705.db2.gz YJUSXTHJALTLDJ-HXUWFJFHSA-N 0 0 338.451 3.495 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC)c(F)c1N ZINC001142416771 1378441072 /nfs/dbraw/zinc/44/10/72/1378441072.db2.gz GXFZZIXKGDXMPH-UHFFFAOYSA-N 0 0 345.418 3.145 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCCO[C@H]1CC1(F)F ZINC001146418027 1378837866 /nfs/dbraw/zinc/83/78/66/1378837866.db2.gz YAWRHYOIPAKPMD-ZDUSSCGKSA-N 0 0 340.395 3.310 10 10 EGCERN O=C(c1ncc2ccccn21)N(Cc1ccco1)Cc1ccccc1O ZINC001149857549 1379457128 /nfs/dbraw/zinc/45/71/28/1379457128.db2.gz NSSQELLDSJTNAL-UHFFFAOYSA-N 0 0 347.374 3.476 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NC2([C@H]3CCCCO3)CCC2)cc1 ZINC001152879216 1379990115 /nfs/dbraw/zinc/99/01/15/1379990115.db2.gz MYARRLYLFCGSPO-CQSZACIVSA-N 0 0 330.388 3.071 10 10 EGCERN C[S@](=O)(=NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001156278603 1380552113 /nfs/dbraw/zinc/55/21/13/1380552113.db2.gz YDIMUKJZPNLTSJ-HSZRJFAPSA-N 0 0 330.369 3.146 10 10 EGCERN Cc1cc(O[C@H](C)C(=O)NCc2c(O)cccc2O)ccc1Cl ZINC001156880992 1380715794 /nfs/dbraw/zinc/71/57/94/1380715794.db2.gz KYFZBOLUNZNLML-LLVKDONJSA-N 0 0 335.787 3.143 10 10 EGCERN CCCOc1ccc(Cl)cc1C(=O)NCc1c(O)cccc1O ZINC001156880900 1380716336 /nfs/dbraw/zinc/71/63/36/1380716336.db2.gz GLEQBDMLYWJEAB-UHFFFAOYSA-N 0 0 335.787 3.470 10 10 EGCERN O=C(CCCOc1ccccc1Cl)NCc1c(O)cccc1O ZINC001156881040 1380716684 /nfs/dbraw/zinc/71/66/84/1380716684.db2.gz MMHJTKSBMVWLPR-UHFFFAOYSA-N 0 0 335.787 3.227 10 10 EGCERN CCCCC1(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)CC1 ZINC001287485684 1381220892 /nfs/dbraw/zinc/22/08/92/1381220892.db2.gz XYQYJOCGFQRMHG-UHFFFAOYSA-N 0 0 346.471 3.323 10 10 EGCERN Cc1cc(CNC(=O)[C@@H]2C[C@@H](C)CO2)c(C)n1-c1cccc(C)c1 ZINC001287660268 1381318813 /nfs/dbraw/zinc/31/88/13/1381318813.db2.gz FCQPLIVDAAYUHA-KUHUBIRLSA-N 0 0 326.440 3.444 10 10 EGCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(F)c(O)c1 ZINC001160563742 1382143571 /nfs/dbraw/zinc/14/35/71/1382143571.db2.gz SBDNHYDAUYDXKS-UHFFFAOYSA-N 0 0 348.337 3.493 10 10 EGCERN CCOc1c(F)cccc1C(=O)NCc1ccc2cccnc2c1O ZINC001162606902 1382806407 /nfs/dbraw/zinc/80/64/07/1382806407.db2.gz ALBKKTFEBYVJRX-UHFFFAOYSA-N 0 0 340.354 3.408 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cc(C(F)(F)F)ccn1 ZINC001162612104 1382808354 /nfs/dbraw/zinc/80/83/54/1382808354.db2.gz CJUNPVIMMAAWQK-UHFFFAOYSA-N 0 0 347.296 3.284 10 10 EGCERN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162612459 1382809283 /nfs/dbraw/zinc/80/92/83/1382809283.db2.gz JQJXNUUYGVFASW-ZWKOTPCHSA-N 0 0 348.402 3.369 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)cc1 ZINC001299141478 1383475531 /nfs/dbraw/zinc/47/55/31/1383475531.db2.gz WQCOZSAYOIEIJC-DZGCQCFKSA-N 0 0 326.331 3.274 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001299479565 1383539760 /nfs/dbraw/zinc/53/97/60/1383539760.db2.gz XZQVAPUESOSZPV-AWEZNQCLSA-N 0 0 342.487 3.443 10 10 EGCERN CN(C)c1ccc(C(=O)NCc2ccc3cccnc3c2O)c(F)c1 ZINC001299721128 1383622773 /nfs/dbraw/zinc/62/27/73/1383622773.db2.gz CQVBNVZFLRKTSH-UHFFFAOYSA-N 0 0 339.370 3.076 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001299748000 1383626213 /nfs/dbraw/zinc/62/62/13/1383626213.db2.gz DZWFZSMWDNANEC-RHSMWYFYSA-N 0 0 326.331 3.216 10 10 EGCERN CC1(C)CCC(O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001167748414 1383728714 /nfs/dbraw/zinc/72/87/14/1383728714.db2.gz GISNPYPSHPERBV-UHFFFAOYSA-N 0 0 349.452 3.374 10 10 EGCERN CC[C@@H](C)c1ccccc1OCC(=O)NCc1c(O)cccc1O ZINC001304050241 1383825026 /nfs/dbraw/zinc/82/50/26/1383825026.db2.gz KRKZHWMIMQORFO-CYBMUJFWSA-N 0 0 329.396 3.307 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1cccc2c1OCCO2 ZINC001304090339 1383828822 /nfs/dbraw/zinc/82/88/22/1383828822.db2.gz ZNXWJQFZPTTZEK-UHFFFAOYSA-N 0 0 335.359 3.247 10 10 EGCERN Cc1cc(C(=O)N2C[C@H]3CSC[C@@]3(C)C2)c(C)n1-c1ccccn1 ZINC001304649952 1383851076 /nfs/dbraw/zinc/85/10/76/1383851076.db2.gz MEXSQLJPPPZJFV-HNAYVOBHSA-N 0 0 341.480 3.314 10 10 EGCERN CCN(CC(F)(F)F)C(=O)CN1CCCCc2cc(OC)ccc21 ZINC001168244376 1383853033 /nfs/dbraw/zinc/85/30/33/1383853033.db2.gz NAVCVOHYZOZSOT-UHFFFAOYSA-N 0 0 344.377 3.249 10 10 EGCERN CCc1nnc(N(CC)CC)n1CCCSc1nccs1 ZINC001306095456 1383874118 /nfs/dbraw/zinc/87/41/18/1383874118.db2.gz VWGHNHMRDHUHSV-UHFFFAOYSA-N 0 0 325.507 3.326 10 10 EGCERN CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001306922227 1383921241 /nfs/dbraw/zinc/92/12/41/1383921241.db2.gz JDDYIJSXAVOGER-UHFFFAOYSA-N 0 0 343.431 3.356 10 10 EGCERN COC(=O)c1cc(OCC[C@@H](O)c2ccccc2)ccc1N(C)C ZINC001307388283 1383981087 /nfs/dbraw/zinc/98/10/87/1383981087.db2.gz BDPGJZZXRHWLAH-GOSISDBHSA-N 0 0 329.396 3.042 10 10 EGCERN CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC001308868008 1384156132 /nfs/dbraw/zinc/15/61/32/1384156132.db2.gz KQLMCJJSZJLQIW-UHFFFAOYSA-N 0 0 336.794 3.457 10 10 EGCERN CC[C@H](C)[C@@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001312729842 1384367293 /nfs/dbraw/zinc/36/72/93/1384367293.db2.gz BPAZVTKYHMHHPX-ZSZQSSIHSA-N 0 0 349.519 3.352 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC001313149090 1384399747 /nfs/dbraw/zinc/39/97/47/1384399747.db2.gz LYZQAHLOBQMGBM-RVKKMQEKSA-N 0 0 333.476 3.240 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC001171781740 1384634449 /nfs/dbraw/zinc/63/44/49/1384634449.db2.gz CIHUWOOANMELMF-UHFFFAOYSA-N 0 0 329.371 3.186 10 10 EGCERN COc1cc(C(=O)NCc2cc(O)ccc2O)cc(OC)c1C(C)C ZINC001176756043 1385684781 /nfs/dbraw/zinc/68/47/81/1385684781.db2.gz VWSMPULECPYPRE-UHFFFAOYSA-N 0 0 345.395 3.168 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC001318499969 1385727960 /nfs/dbraw/zinc/72/79/60/1385727960.db2.gz TZOXOHYHLZUBEV-XQRVVYSFSA-N 0 0 332.278 3.170 10 10 EGCERN Cc1cc(C(=O)N(C)S(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC001318984249 1385909474 /nfs/dbraw/zinc/90/94/74/1385909474.db2.gz JNGSNPDSGLOGQG-UHFFFAOYSA-N 0 0 348.468 3.249 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)OCC[C@H]1C ZINC001340200989 1390248002 /nfs/dbraw/zinc/24/80/02/1390248002.db2.gz UUEPGGHBSWYJPV-GVDBMIGSSA-N 0 0 347.503 3.201 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CCOCC23CCCC3)cc1F ZINC001346059217 1390904133 /nfs/dbraw/zinc/90/41/33/1390904133.db2.gz CULKIHWVUQHDJP-QGZVFWFLSA-N 0 0 349.450 3.040 10 10 EGCERN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CCCC2)cc1 ZINC001347177559 1391019086 /nfs/dbraw/zinc/01/90/86/1391019086.db2.gz AHYZGERFOJSPFI-BBRMVZONSA-N 0 0 328.378 3.438 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2Cc3cccnc3C2)cc1 ZINC001347203724 1391028093 /nfs/dbraw/zinc/02/80/93/1391028093.db2.gz IIQQAGZTIVOPSA-SFHVURJKSA-N 0 0 337.467 3.301 10 10 EGCERN CC(C)(C)c1ccc(OCC(=O)NCc2cccc(O)c2O)cc1 ZINC001349076933 1391301077 /nfs/dbraw/zinc/30/10/77/1391301077.db2.gz ARSYYZSKYVOEDX-UHFFFAOYSA-N 0 0 329.396 3.091 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)[C@@H](CCCO)c1ccccc1 ZINC001349587831 1391343525 /nfs/dbraw/zinc/34/35/25/1391343525.db2.gz NAECUHILGBOUMU-HNNXBMFYSA-N 0 0 333.815 3.218 10 10 EGCERN C[C@H](Oc1ccccn1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351162009 1391606195 /nfs/dbraw/zinc/60/61/95/1391606195.db2.gz BIFOIUOTGDOROY-INIZCTEOSA-N 0 0 339.439 3.108 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cc(C)on2)CCCC1 ZINC001351181303 1391607999 /nfs/dbraw/zinc/60/79/99/1391607999.db2.gz KQENEOOKMYACIL-UHFFFAOYSA-N 0 0 339.395 3.464 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCOCC23CCCC3)cc1 ZINC001351603131 1391656200 /nfs/dbraw/zinc/65/62/00/1391656200.db2.gz XVMIQGHAIIZZSJ-GOSISDBHSA-N 0 0 345.487 3.243 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cccc3scnc32)cc1F ZINC001351738560 1391681899 /nfs/dbraw/zinc/68/18/99/1391681899.db2.gz OZXIHFKCWVYMEW-UHFFFAOYSA-N 0 0 329.400 3.431 10 10 EGCERN COc1cc(C(=O)NCc2cccc(O)c2O)cc(OC)c1C(C)C ZINC001352658397 1391829754 /nfs/dbraw/zinc/82/97/54/1391829754.db2.gz UIQBGOLOUMKAHD-UHFFFAOYSA-N 0 0 345.395 3.168 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@H]1CCC=CO1 ZINC001711095680 1417477979 /nfs/dbraw/zinc/47/79/79/1417477979.db2.gz UPOXLYBBBBWZBH-INIZCTEOSA-N 0 0 340.427 3.190 10 10 EGCERN Cc1nnc(N(C)OC2CCCC2)n1Cc1ccc(N(C)C)cc1C ZINC001724234525 1424746866 /nfs/dbraw/zinc/74/68/66/1424746866.db2.gz CJWYZBVLZRTOJR-UHFFFAOYSA-N 0 0 343.475 3.320 10 10 EGCERN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CC[C@@H](C)C1 ZINC001761698336 1441373250 /nfs/dbraw/zinc/37/32/50/1441373250.db2.gz VKYGAKBKHSAHQK-CQSZACIVSA-N 0 0 339.487 3.424 10 10 EGCERN CCc1nnc(N2CC[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001762959273 1441380622 /nfs/dbraw/zinc/38/06/22/1441380622.db2.gz HYINEOFNGKCAIF-CQSZACIVSA-N 0 0 327.476 3.109 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000058577571 214597276 /nfs/dbraw/zinc/59/72/76/214597276.db2.gz GLTUHULVROSXJM-KRWDZBQOSA-N 0 0 325.412 3.028 10 10 EGCERN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccccc1 ZINC000101833628 219166154 /nfs/dbraw/zinc/16/61/54/219166154.db2.gz LINRAJUOEYMHRS-XMHGGMMESA-N 0 0 349.390 3.338 10 10 EGCERN Nc1ccc(COCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000019967330 212091645 /nfs/dbraw/zinc/09/16/45/212091645.db2.gz WUIUXQJPFAVLCJ-UHFFFAOYSA-N 0 0 335.201 3.187 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)CSc3nc[nH]n3)c2C)cc1 ZINC000011340736 211213046 /nfs/dbraw/zinc/21/30/46/211213046.db2.gz VTIIIFLAHCDQMZ-UHFFFAOYSA-N 0 0 342.424 3.196 10 10 EGCERN Cc1c(C(=O)NCc2ccccc2O)oc2c1C(=O)CC(C)(C)C2 ZINC000095393282 218325296 /nfs/dbraw/zinc/32/52/96/218325296.db2.gz BIOBPDDMLKGNTH-UHFFFAOYSA-N 0 0 327.380 3.379 10 10 EGCERN CCOC(=O)c1ccc(NCc2ccc3c(c2)CCCN3C)nc1 ZINC000058555573 132804597 /nfs/dbraw/zinc/80/45/97/132804597.db2.gz WJRCASOZAMKQAB-UHFFFAOYSA-N 0 0 325.412 3.253 10 10 EGCERN CCc1ccccc1N1C=C(C(=O)OC)S(=O)(=O)c2ccccc21 ZINC000064979135 281454287 /nfs/dbraw/zinc/45/42/87/281454287.db2.gz UZVCACOEURZJKY-UHFFFAOYSA-N 0 0 343.404 3.189 10 10 EGCERN C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000185663475 455591819 /nfs/dbraw/zinc/59/18/19/455591819.db2.gz AFJVTCRSFSBTPI-KWQFWETISA-N 0 0 327.215 3.476 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2ncccc21 ZINC000173195258 455246107 /nfs/dbraw/zinc/24/61/07/455246107.db2.gz LVAPIISWPVKVJV-UHFFFAOYSA-N 0 0 333.391 3.340 10 10 EGCERN Cc1ccc(CSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)cc1 ZINC000006915839 453007048 /nfs/dbraw/zinc/00/70/48/453007048.db2.gz JIHJUPIKIMEKCR-UHFFFAOYSA-N 0 0 338.392 3.278 10 10 EGCERN Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc2c(c1)CC[C@@H](C)N2C ZINC000012446926 453364609 /nfs/dbraw/zinc/36/46/09/453364609.db2.gz WIWMVIMEBGCRDF-HJPCULJESA-N 0 0 336.391 3.123 10 10 EGCERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000053916189 453900225 /nfs/dbraw/zinc/90/02/25/453900225.db2.gz LTHYODZJCSSXAW-SUMWQHHRSA-N 0 0 338.407 3.259 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000042117135 453995556 /nfs/dbraw/zinc/99/55/56/453995556.db2.gz MPAHFIAUMCNRMD-UHFFFAOYSA-N 0 0 325.343 3.194 10 10 EGCERN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/C3CC3)cc2F)C[C@@H](C)O1 ZINC000266286600 455426090 /nfs/dbraw/zinc/42/60/90/455426090.db2.gz XSMFDSOSTNKRSG-RTIZMKJZSA-N 0 0 332.419 3.022 10 10 EGCERN Cc1noc(CCNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000119704268 454214383 /nfs/dbraw/zinc/21/43/83/454214383.db2.gz CAARWSPDWRZEBW-UHFFFAOYSA-N 0 0 338.411 3.066 10 10 EGCERN CN(C)c1ccc(CNC(=O)N(C)Cc2ccc(Cl)nc2)cc1 ZINC000078404654 454248464 /nfs/dbraw/zinc/24/84/64/454248464.db2.gz RBENUFBQGCCBGD-UHFFFAOYSA-N 0 0 332.835 3.143 10 10 EGCERN C/C=C\CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000629034196 460630808 /nfs/dbraw/zinc/63/08/08/460630808.db2.gz SKVSWTGKELSMIV-PLNGDYQASA-N 0 0 325.456 3.100 10 10 EGCERN COc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000125697718 454840252 /nfs/dbraw/zinc/84/02/52/454840252.db2.gz HTZAXVAGELJIAV-UHFFFAOYSA-N 0 0 335.375 3.497 10 10 EGCERN Cc1nc([C@@H](NCc2cc(C)ccc2O)c2ccccc2F)no1 ZINC000114773298 454977485 /nfs/dbraw/zinc/97/74/85/454977485.db2.gz GXDMCOYHLKFONE-KRWDZBQOSA-N 0 0 327.359 3.410 10 10 EGCERN COc1c(CN(C)Cc2ccc(N3CCCCC3)cc2)c(C)nn1C ZINC000155245180 454978990 /nfs/dbraw/zinc/97/89/90/454978990.db2.gz QXBDYBQLGFMFHJ-UHFFFAOYSA-N 0 0 342.487 3.359 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCOC3)c2C)cc1 ZINC000170936150 455001706 /nfs/dbraw/zinc/00/17/06/455001706.db2.gz MBOHUMAOCLOZPD-OAHLLOKOSA-N 0 0 328.412 3.012 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155717769 455036005 /nfs/dbraw/zinc/03/60/05/455036005.db2.gz NYGCXLGLGNLMAT-UHFFFAOYSA-N 0 0 345.468 3.264 10 10 EGCERN Cc1cc(C(=O)N2CCC([C@@H](C)O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000265429248 455323567 /nfs/dbraw/zinc/32/35/67/455323567.db2.gz UUQVZWAZUMPRGZ-OAHLLOKOSA-N 0 0 344.430 3.466 10 10 EGCERN C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191204189 455463371 /nfs/dbraw/zinc/46/33/71/455463371.db2.gz HOSCBRYUTMCYIA-GFCCVEGCSA-N 0 0 333.382 3.385 10 10 EGCERN CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2O)c2ccc(F)cc2C1 ZINC000185355935 455547310 /nfs/dbraw/zinc/54/73/10/455547310.db2.gz RCAILCFKXYEJSC-SFHVURJKSA-N 0 0 328.387 3.114 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@H](C)c1ccccc1O ZINC000186595002 455801734 /nfs/dbraw/zinc/80/17/34/455801734.db2.gz NZFLAGQBRNSNJD-CYBMUJFWSA-N 0 0 326.396 3.101 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000294591295 455820324 /nfs/dbraw/zinc/82/03/24/455820324.db2.gz HKQOEBFCQZCNNM-VHSXEESVSA-N 0 0 341.732 3.177 10 10 EGCERN CN(C)c1ccc(CN(C(=O)c2cnn3c2CCCC3)C2CC2)cc1 ZINC000269710756 455852980 /nfs/dbraw/zinc/85/29/80/455852980.db2.gz NXZFNTCGPXRJIL-UHFFFAOYSA-N 0 0 338.455 3.090 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000195199483 455932701 /nfs/dbraw/zinc/93/27/01/455932701.db2.gz IEMUYLHEUVVLCD-GOSISDBHSA-N 0 0 339.439 3.418 10 10 EGCERN CCCOc1ccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c(O)c1 ZINC000188466477 456067986 /nfs/dbraw/zinc/06/79/86/456067986.db2.gz CAGOFGCXBLRIOT-CQSZACIVSA-N 0 0 344.459 3.473 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301286346 456081782 /nfs/dbraw/zinc/08/17/82/456081782.db2.gz MUBBCNREBYSEOO-GAEWNOSXSA-N 0 0 336.413 3.111 10 10 EGCERN CCN(CC)c1ccc(CN2C(=O)[C@@H]3[C@H]4CCC[C@H]4CN3C2=O)cc1 ZINC000277473087 456837139 /nfs/dbraw/zinc/83/71/39/456837139.db2.gz UZSUOHYDLIBMMJ-SZMVWBNQSA-N 0 0 341.455 3.096 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2nnn(C(C)C)c2C)cc1F ZINC000292171165 456875926 /nfs/dbraw/zinc/87/59/26/456875926.db2.gz LUAWKMSHJBTCKQ-UHFFFAOYSA-N 0 0 347.438 3.083 10 10 EGCERN Clc1ccc(C2=CCN(c3cc(N4CCCC4)ncn3)CC2)cn1 ZINC000365028757 457724461 /nfs/dbraw/zinc/72/44/61/457724461.db2.gz LHTVWUTYDFHGCX-UHFFFAOYSA-N 0 0 341.846 3.419 10 10 EGCERN C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215194 458719447 /nfs/dbraw/zinc/71/94/47/458719447.db2.gz FAXLNEYKWWSCPG-IINYFYTJSA-N 0 0 325.250 3.090 10 10 EGCERN CCOc1cccc(CN2CCc3nc(C(C)C)ncc3C2)c1O ZINC000527619751 459672912 /nfs/dbraw/zinc/67/29/12/459672912.db2.gz UXBHGKFRNJTRRL-UHFFFAOYSA-N 0 0 327.428 3.263 10 10 EGCERN COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000527967279 459784091 /nfs/dbraw/zinc/78/40/91/459784091.db2.gz JBDXPMAZZUUXMX-PBHICJAKSA-N 0 0 344.430 3.465 10 10 EGCERN COc1ccc(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000529226461 459826139 /nfs/dbraw/zinc/82/61/39/459826139.db2.gz DOAGBHXBXMQDKN-IRXDYDNUSA-N 0 0 329.371 3.350 10 10 EGCERN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cn[nH]c1 ZINC000676866699 549168284 /nfs/dbraw/zinc/16/82/84/549168284.db2.gz RMPULYJMAOJDRY-YHYXMXQVSA-N 0 0 332.285 3.083 10 10 EGCERN COc1ccc(C2=N/C(=C/c3ccc(N(C)C)c(F)c3)C(=O)O2)cc1 ZINC000727660269 574681962 /nfs/dbraw/zinc/68/19/62/574681962.db2.gz XJNWHLKTFWJKGY-LFIBNONCSA-N 0 0 340.354 3.245 10 10 EGCERN COc1ccc(N2CCC(NC(=O)C[C@@H](C)n3cccc3)CC2)cc1 ZINC000729532413 574869702 /nfs/dbraw/zinc/86/97/02/574869702.db2.gz ZSHYOFOCJYPEKK-MRXNPFEDSA-N 0 0 341.455 3.233 10 10 EGCERN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000732352663 575261428 /nfs/dbraw/zinc/26/14/28/575261428.db2.gz AXWAKDXALJAMDC-RYUDHWBXSA-N 0 0 345.420 3.367 10 10 EGCERN CN(C)c1ccc(CNC(=O)NC/C=C\c2ccccc2)cc1F ZINC000733001179 575300504 /nfs/dbraw/zinc/30/05/04/575300504.db2.gz ULYLASXTKIMXHA-TWGQIWQCSA-N 0 0 327.403 3.404 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1cnc2ccccc2n1 ZINC000734406238 575481589 /nfs/dbraw/zinc/48/15/89/575481589.db2.gz RVLZMHZVLFDVDB-PKNBQFBNSA-N 0 0 346.434 3.334 10 10 EGCERN Cc1cc(CCNC(=O)Cc2cccnc2)c(C)n1-c1ccccc1 ZINC000735463549 575664918 /nfs/dbraw/zinc/66/49/18/575664918.db2.gz DGHPMGXMKKQNTF-UHFFFAOYSA-N 0 0 333.435 3.391 10 10 EGCERN O=C(NCc1ccccc1O)NCc1ccccc1OC1CCC1 ZINC000735755249 575711005 /nfs/dbraw/zinc/71/10/05/575711005.db2.gz PEYLUCUBCBQMRB-UHFFFAOYSA-N 0 0 326.396 3.323 10 10 EGCERN CC[C@H](OC)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000744637198 576832262 /nfs/dbraw/zinc/83/22/62/576832262.db2.gz GUKGFZOXUODQQN-SFHVURJKSA-N 0 0 347.386 3.384 10 10 EGCERN CC(=O)N1C[C@@H](C)CN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC000078935502 1292534706 /nfs/dbraw/zinc/53/47/06/1292534706.db2.gz PANVGWZYGSZEDH-BOLDSZDNSA-N 0 0 335.407 3.131 10 10 EGCERN COc1cc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000087024011 1292737074 /nfs/dbraw/zinc/73/70/74/1292737074.db2.gz SHDFWYRBGXDJGK-UHFFFAOYSA-N 0 0 342.439 3.350 10 10 EGCERN COc1cc(N(C)Cc2ccc3c(c2)CCO3)cc(OC)c1OC ZINC000125721187 1293515396 /nfs/dbraw/zinc/51/53/96/1293515396.db2.gz AXUMNLKPEGCKIP-UHFFFAOYSA-N 0 0 329.396 3.284 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cccc(F)c3Cl)CC2)cc1 ZINC000173060137 1294454250 /nfs/dbraw/zinc/45/42/50/1294454250.db2.gz BKPYZRWVYRRLGT-UHFFFAOYSA-N 0 0 348.805 3.450 10 10 EGCERN COc1ccc(O)c(CNC(=O)Nc2cccc(N(C)C)c2C)c1 ZINC000180192201 1294867938 /nfs/dbraw/zinc/86/79/38/1294867938.db2.gz HAEUYRNMVCBKDT-UHFFFAOYSA-N 0 0 329.400 3.097 10 10 EGCERN COc1cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c(O)cc1C ZINC000190220997 1295568153 /nfs/dbraw/zinc/56/81/53/1295568153.db2.gz VFPSTYQAXCUAGW-ZDUSSCGKSA-N 0 0 330.432 3.001 10 10 EGCERN O=C([C@@H]1CCCN1Cc1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000871202812 1296271628 /nfs/dbraw/zinc/27/16/28/1296271628.db2.gz GSLOLQWCLLZUAT-SFHVURJKSA-N 0 0 340.398 3.038 10 10 EGCERN O=C([C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000871206780 1296272815 /nfs/dbraw/zinc/27/28/15/1296272815.db2.gz DRDYNFLZOLTUJE-JEBQAFNWSA-N 0 0 325.795 3.474 10 10 EGCERN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1Cl ZINC000242462748 1296284054 /nfs/dbraw/zinc/28/40/54/1296284054.db2.gz BRFSGMYVINDGQR-UHFFFAOYSA-N 0 0 325.773 3.178 10 10 EGCERN CCOC(=O)CN(C(=O)/C=C\c1cncc(C)c1)c1ccc(F)cc1 ZINC000255884939 1296575264 /nfs/dbraw/zinc/57/52/64/1296575264.db2.gz YYMNVNLKLBSFKY-WTKPLQERSA-N 0 0 342.370 3.139 10 10 EGCERN CCCOc1ccc(C[NH2+][C@@H](CC(=O)[O-])C2CCOCC2)cc1C ZINC000871879079 1296587171 /nfs/dbraw/zinc/58/71/71/1296587171.db2.gz YHQYQBJFEDZSJV-KRWDZBQOSA-N 0 0 335.444 3.143 10 10 EGCERN C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708139767 1298237384 /nfs/dbraw/zinc/23/73/84/1298237384.db2.gz IMYXMSLQJGESQP-GFCCVEGCSA-N 0 0 347.684 3.334 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3ncsc3C3CC3)ccc21 ZINC000878534832 1300057979 /nfs/dbraw/zinc/05/79/79/1300057979.db2.gz MNIJIOGQTIDLFH-UHFFFAOYSA-N 0 0 327.453 3.333 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000880056810 1300905641 /nfs/dbraw/zinc/90/56/41/1300905641.db2.gz KVRJXUKUMFLEAL-LKFCYVNXSA-N 0 0 349.324 3.276 10 10 EGCERN C[C@]12CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887881065 1303966588 /nfs/dbraw/zinc/96/65/88/1303966588.db2.gz XONMVZXOFBFBBI-SCGCMHLBSA-N 0 0 326.400 3.357 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000894088567 1306211168 /nfs/dbraw/zinc/21/11/68/1306211168.db2.gz LSUHRMCPTKDHMM-YGRLFVJLSA-N 0 0 344.224 3.295 10 10 EGCERN COc1ccc(NCc2cc(C)cc(OC)c2O)c(OC)c1OC ZINC000894113237 1306225475 /nfs/dbraw/zinc/22/54/75/1306225475.db2.gz IIRZDBNPBWLLIZ-UHFFFAOYSA-N 0 0 333.384 3.347 10 10 EGCERN COC(=O)c1c(CNCc2ccc(C)nc2)c2cc(F)ccc2n1C ZINC000894188013 1306268524 /nfs/dbraw/zinc/26/85/24/1306268524.db2.gz YULWNONOSFJDAO-UHFFFAOYSA-N 0 0 341.386 3.097 10 10 EGCERN COC(=O)c1c(CNCc2ccoc2C)c2cc(F)ccc2n1C ZINC000894199851 1306272024 /nfs/dbraw/zinc/27/20/24/1306272024.db2.gz RPSMLTXOALGAAO-UHFFFAOYSA-N 0 0 330.359 3.295 10 10 EGCERN COc1cc(C)cc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1O ZINC000895190521 1309230413 /nfs/dbraw/zinc/23/04/13/1309230413.db2.gz SHBQOHOOXOGATQ-OCCSQVGLSA-N 0 0 333.350 3.299 10 10 EGCERN CC1(C)CO[C@@H](CC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000895771176 1309511655 /nfs/dbraw/zinc/51/16/55/1309511655.db2.gz JDEVYYDMMYCQAK-KRWDZBQOSA-N 0 0 348.512 3.061 10 10 EGCERN O=C(NC[C@H]1CCC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897634681 1310416984 /nfs/dbraw/zinc/41/69/84/1310416984.db2.gz MMBZKMHXGQIUIN-QMMMGPOBSA-N 0 0 327.352 3.478 10 10 EGCERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000898437463 1310733359 /nfs/dbraw/zinc/73/33/59/1310733359.db2.gz WGUHDJNNRGQPSV-YOEHRIQHSA-N 0 0 347.436 3.390 10 10 EGCERN C[C@@H]1CC=CC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000898891962 1310862611 /nfs/dbraw/zinc/86/26/11/1310862611.db2.gz IPQFUQLEJMKZNZ-BPQIPLTHSA-N 0 0 344.455 3.438 10 10 EGCERN CC[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1[O-] ZINC000857877545 1328612788 /nfs/dbraw/zinc/61/27/88/1328612788.db2.gz OUEZNSJOKDMCFB-SJLPKXTDSA-N 0 0 328.387 3.285 10 10 EGCERN CC[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1[O-] ZINC000857877548 1328612834 /nfs/dbraw/zinc/61/28/34/1328612834.db2.gz OUEZNSJOKDMCFB-WMZOPIPTSA-N 0 0 328.387 3.285 10 10 EGCERN CCC(F)(F)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000858154865 1328698279 /nfs/dbraw/zinc/69/82/79/1328698279.db2.gz UIOJSEVEGHDZHT-UHFFFAOYSA-N 0 0 343.443 3.084 10 10 EGCERN COC(=O)CN(CCCc1cccnc1)Cc1cc(Cl)ccc1O ZINC000929977496 1328755425 /nfs/dbraw/zinc/75/54/25/1328755425.db2.gz VIXZCBBKDIVXBV-UHFFFAOYSA-N 0 0 348.830 3.048 10 10 EGCERN CC1(C)OC[C@@H](NC(=O)C2=CC(=O)CS2)[C@@H](c2ccccc2)O1 ZINC000914129752 1319249959 /nfs/dbraw/zinc/24/99/59/1319249959.db2.gz CBYSWNURCBJFOK-UKRRQHHQSA-N 0 0 333.409 3.076 10 10 EGCERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCC(C)(C)C2CC2)c1 ZINC000914153860 1319255486 /nfs/dbraw/zinc/25/54/86/1319255486.db2.gz MYTYVKOUQOTIEH-GFCCVEGCSA-N 0 0 341.473 3.208 10 10 EGCERN C[C@@H](NS(=O)(=O)CCCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000914393063 1319317413 /nfs/dbraw/zinc/31/74/13/1319317413.db2.gz DHHFLMAOJKOLDM-GFCCVEGCSA-N 0 0 334.432 3.168 10 10 EGCERN CCN(C(=O)/C=C/c1cnn(C)c1)c1ccc(Br)cc1 ZINC000914515185 1319340018 /nfs/dbraw/zinc/34/00/18/1319340018.db2.gz MTGVWFIMAGTPAU-RUDMXATFSA-N 0 0 334.217 3.249 10 10 EGCERN C[C@H](NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000930745178 1328955333 /nfs/dbraw/zinc/95/53/33/1328955333.db2.gz SBFZFRRBSRIWQC-XOZDYOFUSA-N 0 0 342.483 3.383 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000919081732 1322025750 /nfs/dbraw/zinc/02/57/50/1322025750.db2.gz OCLFQUANTQZIQZ-MJGOQNOKSA-N 0 0 345.487 3.065 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000919081730 1322025920 /nfs/dbraw/zinc/02/59/20/1322025920.db2.gz OCLFQUANTQZIQZ-IEBWSBKVSA-N 0 0 345.487 3.065 10 10 EGCERN COc1nnc(CN2CCCc3cc(OC(F)(F)F)ccc32)s1 ZINC000920258072 1322155941 /nfs/dbraw/zinc/15/59/41/1322155941.db2.gz GOKJUVNYVWGSIV-UHFFFAOYSA-N 0 0 345.346 3.398 10 10 EGCERN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000922053606 1322445776 /nfs/dbraw/zinc/44/57/76/1322445776.db2.gz GFZXCUOUQJDDAY-VHRBIJSZSA-N 0 0 329.366 3.311 10 10 EGCERN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc(N(C)C)cc1 ZINC000922053575 1322445791 /nfs/dbraw/zinc/44/57/91/1322445791.db2.gz FMCUREFITKOYRO-LBPRGKRZSA-N 0 0 331.391 3.158 10 10 EGCERN CN(C)[C@@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)C(F)(F)F ZINC000922754472 1322610924 /nfs/dbraw/zinc/61/09/24/1322610924.db2.gz KPOQNCYKPGCIMB-NSHDSACASA-N 0 0 328.737 3.157 10 10 EGCERN COc1ccc(N2CCN([C@@H](C)c3ccc(F)nc3)CC2)c(OC)c1 ZINC000931530518 1329136961 /nfs/dbraw/zinc/13/69/61/1329136961.db2.gz IFDAJXFIGAZGSQ-AWEZNQCLSA-N 0 0 345.418 3.121 10 10 EGCERN CCc1[nH]nc(Cl)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000860243811 1329182024 /nfs/dbraw/zinc/18/20/24/1329182024.db2.gz YHLBVXBQEDXXCA-UHFFFAOYSA-N 0 0 333.819 3.140 10 10 EGCERN C[C@@H](NC(=O)N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccccc1O ZINC000925133807 1325058704 /nfs/dbraw/zinc/05/87/04/1325058704.db2.gz DUHDZDRMNAROQQ-HYSWKAIVSA-N 0 0 330.359 3.224 10 10 EGCERN CC[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000925692759 1325263149 /nfs/dbraw/zinc/26/31/49/1325263149.db2.gz BAPPFUYYJHGRBG-QWHCGFSZSA-N 0 0 336.432 3.120 10 10 EGCERN C[C@@H](NC(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926296313 1325507182 /nfs/dbraw/zinc/50/71/82/1325507182.db2.gz WJSFOLTZEJHMPQ-JTNHKYCSSA-N 0 0 346.349 3.252 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC2(CC(F)C2)C1 ZINC000860380550 1329311574 /nfs/dbraw/zinc/31/15/74/1329311574.db2.gz JXEAUSPFGOAWQU-UHFFFAOYSA-N 0 0 340.398 3.481 10 10 EGCERN CC[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000926983103 1327807859 /nfs/dbraw/zinc/80/78/59/1327807859.db2.gz VCZWJDBSWLJDIB-BXKDBHETSA-N 0 0 331.243 3.266 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC000927293402 1327960427 /nfs/dbraw/zinc/96/04/27/1327960427.db2.gz LAXNQPAFQZIXQO-HNAYVOBHSA-N 0 0 334.379 3.263 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000861145871 1329393009 /nfs/dbraw/zinc/39/30/09/1329393009.db2.gz ZNDBOPIGLVVLGT-NSHDSACASA-N 0 0 345.346 3.260 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H]2CCC3(CCC3)O2)c1 ZINC000927730725 1328122698 /nfs/dbraw/zinc/12/26/98/1328122698.db2.gz RWIFVNMFYJZAOQ-UONOGXRCSA-N 0 0 348.443 3.253 10 10 EGCERN CC(C)(C)OC[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000928239722 1328250264 /nfs/dbraw/zinc/25/02/64/1328250264.db2.gz ZUOGVIIHPQRMDQ-AWEZNQCLSA-N 0 0 332.404 3.269 10 10 EGCERN CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)C1=CC(=O)CS1 ZINC000928676898 1328389657 /nfs/dbraw/zinc/38/96/57/1328389657.db2.gz MBYPPROZHDEABN-UHFFFAOYSA-N 0 0 342.461 3.171 10 10 EGCERN COc1ccc(C(C)(C)C(=O)NCc2c(O)cccc2F)cc1OC ZINC000928706772 1328403487 /nfs/dbraw/zinc/40/34/87/1328403487.db2.gz ZTDWGDHVAWGMRD-UHFFFAOYSA-N 0 0 347.386 3.143 10 10 EGCERN COc1ccc(C[C@H](C)C(=O)NCc2c(O)cccc2F)cc1OC ZINC000928707152 1328404652 /nfs/dbraw/zinc/40/46/52/1328404652.db2.gz BHGKLVAXHNAQKL-LBPRGKRZSA-N 0 0 347.386 3.044 10 10 EGCERN COCc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000861632586 1329433202 /nfs/dbraw/zinc/43/32/02/1329433202.db2.gz HOVBAPJBVSDULL-UHFFFAOYSA-N 0 0 343.427 3.229 10 10 EGCERN C[C@H]1CCC[C@@H](OCC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862028059 1329456046 /nfs/dbraw/zinc/45/60/46/1329456046.db2.gz OIZBIAUKDJTZIA-XJKSGUPXSA-N 0 0 328.412 3.152 10 10 EGCERN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000862487242 1329490966 /nfs/dbraw/zinc/49/09/66/1329490966.db2.gz MURNEGNWWYJQTM-GFCCVEGCSA-N 0 0 330.211 3.441 10 10 EGCERN Cc1cc(C(=O)NCC(=O)C2(C)CCCC2)c(C)n1-c1ccccn1 ZINC000863064024 1329527255 /nfs/dbraw/zinc/52/72/55/1329527255.db2.gz QGMRETNWXDNXEK-UHFFFAOYSA-N 0 0 339.439 3.368 10 10 EGCERN Cc1cc(CNC(=O)c2cn(CC3CC3)nn2)c(C)n1-c1ccccc1 ZINC000863163433 1329531695 /nfs/dbraw/zinc/53/16/95/1329531695.db2.gz CHLFOQRZTANULN-UHFFFAOYSA-N 0 0 349.438 3.026 10 10 EGCERN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(F)cc1OC ZINC000863175568 1329532003 /nfs/dbraw/zinc/53/20/03/1329532003.db2.gz JVTCTJJLWRVZPY-QPEQYQDCSA-N 0 0 341.429 3.454 10 10 EGCERN Cc1cc(CC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(C)n1-c1ccccc1 ZINC000863735222 1329578726 /nfs/dbraw/zinc/57/87/26/1329578726.db2.gz QZLSLINQCSOCMM-LDQXTDLNSA-N 0 0 338.451 3.008 10 10 EGCERN CCCN(CCC)c1ccc(C[NH2+]C[C@]2(C(=O)[O-])CCCOC2)cc1 ZINC000864524981 1329622582 /nfs/dbraw/zinc/62/25/82/1329622582.db2.gz ODHUZTIMXQESJM-HXUWFJFHSA-N 0 0 348.487 3.284 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]12C[C@H]1CCCC2 ZINC000864633704 1329632413 /nfs/dbraw/zinc/63/24/13/1329632413.db2.gz CCWRRTPZTMZLNG-YLJYHZDGSA-N 0 0 328.456 3.062 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-c2cn[nH]c2)cn1 ZINC000864861792 1329646968 /nfs/dbraw/zinc/64/69/68/1329646968.db2.gz CIEOBXXXTCWMQB-UHFFFAOYSA-N 0 0 347.422 3.002 10 10 EGCERN O=C(C[C@@H]1Cc2ccccc2O1)NCCCSc1nccs1 ZINC000865782939 1329738147 /nfs/dbraw/zinc/73/81/47/1329738147.db2.gz HQTSEZNCBFAPMH-ZDUSSCGKSA-N 0 0 334.466 3.135 10 10 EGCERN CCN(CC)c1ccc(CNc2cccc3c2NC(=O)CO3)cc1 ZINC000865869355 1329747419 /nfs/dbraw/zinc/74/74/19/1329747419.db2.gz CHTWAXPYJYDOCX-UHFFFAOYSA-N 0 0 325.412 3.476 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2nc([C@H]3C[C@H]3C)no2)cc1 ZINC000865894508 1329749744 /nfs/dbraw/zinc/74/97/44/1329749744.db2.gz NMJNLIZFBIZUJW-CJNGLKHVSA-N 0 0 342.443 3.311 10 10 EGCERN C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866563362 1330127222 /nfs/dbraw/zinc/12/72/22/1330127222.db2.gz LNKOAFXUQTVDMV-SJCJKPOMSA-N 0 0 327.384 3.138 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Cc1cn2cc(C)sc2n1 ZINC000866598685 1330131600 /nfs/dbraw/zinc/13/16/00/1330131600.db2.gz MFLHHLLOQHSUTE-UHFFFAOYSA-N 0 0 343.452 3.391 10 10 EGCERN C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])c1ccnn1C ZINC000866615547 1330133419 /nfs/dbraw/zinc/13/34/19/1330133419.db2.gz VITAWABOHVRQEY-RKDXNWHRSA-N 0 0 342.212 3.439 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2scnc2C(F)F)c1 ZINC000866765394 1330147826 /nfs/dbraw/zinc/14/78/26/1330147826.db2.gz UXINVLVFSRPLSP-ZETCQYMHSA-N 0 0 328.340 3.286 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000867302510 1330192620 /nfs/dbraw/zinc/19/26/20/1330192620.db2.gz QDPTUKLKUJETSH-MEBBXXQBSA-N 0 0 331.799 3.138 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1cncc2ncn(C)c21 ZINC000868110342 1330250568 /nfs/dbraw/zinc/25/05/68/1330250568.db2.gz ZUKLBCOUFOZURO-UHFFFAOYSA-N 0 0 338.411 3.116 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000868112000 1330250681 /nfs/dbraw/zinc/25/06/81/1330250681.db2.gz ITLYNMGJYOMBHA-SJORKVTESA-N 0 0 345.512 3.181 10 10 EGCERN COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868330493 1330271586 /nfs/dbraw/zinc/27/15/86/1330271586.db2.gz GEPDNSLICZKIAV-GOEBONIOSA-N 0 0 328.412 3.010 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1O ZINC000868455620 1330282236 /nfs/dbraw/zinc/28/22/36/1330282236.db2.gz KYEPSUBHSWZHLY-QMGNLALYSA-N 0 0 338.498 3.132 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H]2C(F)F)cc1 ZINC000868609754 1330299618 /nfs/dbraw/zinc/29/96/18/1330299618.db2.gz OPJRLGVXAYHTRF-QGZVFWFLSA-N 0 0 346.377 3.315 10 10 EGCERN COc1ccc(N(C)Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC001195819201 1368497540 /nfs/dbraw/zinc/49/75/40/1368497540.db2.gz VERIKVJZHNPCFP-UHFFFAOYSA-N 0 0 327.359 3.445 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCC(F)CC1 ZINC001118123572 1371133599 /nfs/dbraw/zinc/13/35/99/1371133599.db2.gz LGZAGNCHTMPUFS-UHFFFAOYSA-N 0 0 331.435 3.390 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001118156107 1371139754 /nfs/dbraw/zinc/13/97/54/1371139754.db2.gz ZTGRZJJAQOQNKR-SJORKVTESA-N 0 0 334.435 3.010 10 10 EGCERN C[C@H](NC(=O)NC1([C@H]2CCCO2)CCC1)c1ccc(N(C)C)cc1 ZINC001123637662 1372534905 /nfs/dbraw/zinc/53/49/05/1372534905.db2.gz JKDAESKVLUYGBG-WMLDXEAASA-N 0 0 331.460 3.215 10 10 EGCERN COc1cccc(C(F)(F)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001126004590 1372908935 /nfs/dbraw/zinc/90/89/35/1372908935.db2.gz FNYCCEFXDSYVOU-UHFFFAOYSA-N 0 0 348.393 3.478 10 10 EGCERN C[C@@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)c1ccc(N(C)C)cc1 ZINC001128246689 1373240902 /nfs/dbraw/zinc/24/09/02/1373240902.db2.gz IRKRWIMQZQDZGG-UONOGXRCSA-N 0 0 326.444 3.022 10 10 EGCERN COC(=O)[C@@H]1CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001134372544 1376498365 /nfs/dbraw/zinc/49/83/65/1376498365.db2.gz YYPCLQQEAOVHCD-INIZCTEOSA-N 0 0 346.814 3.135 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC001233764564 1376710857 /nfs/dbraw/zinc/71/08/57/1376710857.db2.gz SAVBPVGKGFRZOG-QGZVFWFLSA-N 0 0 345.487 3.386 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC001261655084 1377125530 /nfs/dbraw/zinc/12/55/30/1377125530.db2.gz LYIKEJZNOQBLDH-FRRDWIJNSA-N 0 0 341.377 3.125 10 10 EGCERN C=CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC001135915134 1377260411 /nfs/dbraw/zinc/26/04/11/1377260411.db2.gz ZKSAUWZRVSOWMJ-UHFFFAOYSA-N 0 0 337.423 3.149 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(F)cc(F)c1N ZINC001136025614 1377303008 /nfs/dbraw/zinc/30/30/08/1377303008.db2.gz QVTNIXMFWCDLMH-UHFFFAOYSA-N 0 0 345.393 3.419 10 10 EGCERN Cc1c(C(=O)NCc2ccc(N(C)C)cc2C)[nH]nc1C(F)(F)F ZINC001136744128 1377419153 /nfs/dbraw/zinc/41/91/53/1377419153.db2.gz KZOCIHWFXSIGBB-UHFFFAOYSA-N 0 0 340.349 3.041 10 10 EGCERN CC(=O)Nc1ccccc1C(F)(F)C(=O)N(C)Cc1ccccc1O ZINC001137345328 1377527758 /nfs/dbraw/zinc/52/77/58/1377527758.db2.gz CWGMIPLSACSQTB-UHFFFAOYSA-N 0 0 348.349 3.101 10 10 EGCERN CC1CCN(c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2)CC1 ZINC001137443618 1377548822 /nfs/dbraw/zinc/54/88/22/1377548822.db2.gz WOIJSBBKKBPKDL-UHFFFAOYSA-N 0 0 340.423 3.264 10 10 EGCERN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1C(F)(F)F ZINC001137464452 1377552132 /nfs/dbraw/zinc/55/21/32/1377552132.db2.gz ALURJIARGWFOJJ-UHFFFAOYSA-N 0 0 339.313 3.398 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C[C@H]3CC=CCC3)CC2)cc1 ZINC001137658472 1377584489 /nfs/dbraw/zinc/58/44/89/1377584489.db2.gz JFUFXBRXSFIUOW-KRWDZBQOSA-N 0 0 328.456 3.480 10 10 EGCERN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(O)c1O)[C@H]2C ZINC001138144691 1377684696 /nfs/dbraw/zinc/68/46/96/1377684696.db2.gz GHKNHJDXAKQNOF-RYUDHWBXSA-N 0 0 327.380 3.254 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(C(F)(F)F)nc1 ZINC001142727975 1378481676 /nfs/dbraw/zinc/48/16/76/1378481676.db2.gz IZINAHOPWJJTKR-UHFFFAOYSA-N 0 0 347.296 3.284 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cnc(C2CC2)s1 ZINC001142728087 1378482666 /nfs/dbraw/zinc/48/26/66/1378482666.db2.gz MBCGOQPVTJUZCY-UHFFFAOYSA-N 0 0 325.393 3.204 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)CCCC(=O)C(C)(C)C)cc1 ZINC001144880116 1378778305 /nfs/dbraw/zinc/77/83/05/1378778305.db2.gz XNAFHILKBMMEGD-UHFFFAOYSA-N 0 0 348.487 3.375 10 10 EGCERN CC1SC(C(=O)N(Cc2ccco2)Cc2ccccc2O)=NC1=O ZINC001149857424 1379457273 /nfs/dbraw/zinc/45/72/73/1379457273.db2.gz KIPZMBVOSUGHDX-UHFFFAOYSA-N 0 0 344.392 3.298 10 10 EGCERN COc1ccc(N2CCN(C(=O)/C=C\C=C(Cl)Cl)CC2)cc1 ZINC001150068000 1379490555 /nfs/dbraw/zinc/49/05/55/1379490555.db2.gz ANWFCWZYNOHHMW-RQOWECAXSA-N 0 0 341.238 3.219 10 10 EGCERN CCNc1ncc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1Cl ZINC001150543839 1379565146 /nfs/dbraw/zinc/56/51/46/1379565146.db2.gz VLLSHPLFYDAZMN-JTQLQIEISA-N 0 0 349.818 3.372 10 10 EGCERN COCC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccco1 ZINC001152269828 1379896665 /nfs/dbraw/zinc/89/66/65/1379896665.db2.gz VJAILEUYNOQZTB-LLVKDONJSA-N 0 0 347.392 3.413 10 10 EGCERN CC[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(OC)cc1 ZINC001153885889 1380149514 /nfs/dbraw/zinc/14/95/14/1380149514.db2.gz RHRUMWPSNWQBBW-ZDUSSCGKSA-N 0 0 329.396 3.307 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H](CO)[C@@H]2C)c(C)n1-c1ccccc1C ZINC001155891700 1380502971 /nfs/dbraw/zinc/50/29/71/1380502971.db2.gz CGYMHYMOGPTNJK-DOTOQJQBSA-N 0 0 326.440 3.245 10 10 EGCERN O=C(NC[C@H]1Cc2ccccc2O1)c1cc2cc(O)c(O)cc2s1 ZINC001158202810 1381158186 /nfs/dbraw/zinc/15/81/86/1381158186.db2.gz NBJGXDQMIYHYRK-GFCCVEGCSA-N 0 0 341.388 3.046 10 10 EGCERN CCC(C)(C)[C@@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001293143740 1382262110 /nfs/dbraw/zinc/26/21/10/1382262110.db2.gz BOCFOMRJSHZNDE-SFHVURJKSA-N 0 0 332.488 3.336 10 10 EGCERN CON(C)CCCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001163561413 1383079466 /nfs/dbraw/zinc/07/94/66/1383079466.db2.gz CNNSDOIHALNYMX-UHFFFAOYSA-N 0 0 349.862 3.361 10 10 EGCERN CCCNC(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001165499116 1383303073 /nfs/dbraw/zinc/30/30/73/1383303073.db2.gz WREXZIRXFCXYQG-UHFFFAOYSA-N 0 0 346.814 3.115 10 10 EGCERN COC(=O)[C@@H](C)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001299306241 1383505206 /nfs/dbraw/zinc/50/52/06/1383505206.db2.gz KGJILGXTAJMLEZ-CRALRDPISA-N 0 0 341.363 3.026 10 10 EGCERN Cc1nc(Cl)ccc1CC(=O)NCc1cc(Cl)ccc1O ZINC001300396527 1383661951 /nfs/dbraw/zinc/66/19/51/1383661951.db2.gz XGACNIAXDXXKDD-UHFFFAOYSA-N 0 0 325.195 3.261 10 10 EGCERN COC[C@H](C)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001300988063 1383688806 /nfs/dbraw/zinc/68/88/06/1383688806.db2.gz RILUBTITMLZTFY-CQSZACIVSA-N 0 0 346.475 3.200 10 10 EGCERN Cc1cc(C(=O)N(C)CCc2ncon2)c(C)n1-c1cccc(C)c1 ZINC001304028223 1383821990 /nfs/dbraw/zinc/82/19/90/1383821990.db2.gz YAXSOSRZRVCPCD-UHFFFAOYSA-N 0 0 338.411 3.100 10 10 EGCERN Cc1cc(Cn2c(C)nnc2N(C)Cc2ccccc2O)cs1 ZINC001304213722 1383840465 /nfs/dbraw/zinc/84/04/65/1383840465.db2.gz OLKKBSCEHIMCIG-UHFFFAOYSA-N 0 0 328.441 3.347 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCn1cccn1 ZINC001306941053 1383923939 /nfs/dbraw/zinc/92/39/39/1383923939.db2.gz YFROAFBZBMWRGJ-UHFFFAOYSA-N 0 0 336.351 3.134 10 10 EGCERN CN(CCCN1CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC001307687917 1384013515 /nfs/dbraw/zinc/01/35/15/1384013515.db2.gz DHDMKLZANMXHOR-UHFFFAOYSA-N 0 0 340.467 3.424 10 10 EGCERN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCN1CCOC[C@@H]1C ZINC001307864038 1384045068 /nfs/dbraw/zinc/04/50/68/1384045068.db2.gz LXELLYYCSNWMPU-FUHWJXTLSA-N 0 0 332.488 3.051 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1O ZINC001174726104 1385140647 /nfs/dbraw/zinc/14/06/47/1385140647.db2.gz STUVSRLWDBWGOB-ABKXIKBNSA-N 0 0 347.789 3.493 10 10 EGCERN O=C(CSc1nccc2ccccc21)NCc1cc(O)ccc1O ZINC001176748401 1385681105 /nfs/dbraw/zinc/68/11/05/1385681105.db2.gz RMCPQAOBKPVEBW-UHFFFAOYSA-N 0 0 340.404 3.055 10 10 EGCERN O=C(NCc1c(O)cccc1F)C1(c2ccncc2)CC2(CCC2)C1 ZINC001178416613 1386210892 /nfs/dbraw/zinc/21/08/92/1386210892.db2.gz KDQMTVIEJKMSNS-UHFFFAOYSA-N 0 0 340.398 3.445 10 10 EGCERN Cn1cnc2ccc(NC(=O)c3cc4cc(O)c(O)cc4s3)cc21 ZINC001178832249 1386321178 /nfs/dbraw/zinc/32/11/78/1386321178.db2.gz NYNSZFHCBRQEDN-UHFFFAOYSA-N 0 0 339.376 3.452 10 10 EGCERN O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1c(O)ccc2ccccc21 ZINC001179028983 1386381617 /nfs/dbraw/zinc/38/16/17/1386381617.db2.gz GUGBQJOCCAFPSX-INIZCTEOSA-N 0 0 346.386 3.288 10 10 EGCERN COc1ccc(C=O)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179032525 1386383243 /nfs/dbraw/zinc/38/32/43/1386383243.db2.gz KBVJELMGCWTEQQ-UHFFFAOYSA-N 0 0 335.359 3.297 10 10 EGCERN COc1ccc(C(=O)NCc2cccc(Cl)c2O)nc1Cl ZINC001180410147 1386787339 /nfs/dbraw/zinc/78/73/39/1386787339.db2.gz KOQWGTCCEOZFNR-UHFFFAOYSA-N 0 0 327.167 3.033 10 10 EGCERN CN(C)c1cc(F)c(CNc2cccc3c2OCC[C@H]3O)cc1F ZINC001329722001 1389209533 /nfs/dbraw/zinc/20/95/33/1389209533.db2.gz IRMBUKGGEIQNRP-QGZVFWFLSA-N 0 0 334.366 3.459 10 10 EGCERN COc1ccc2[nH]c3c(c2c1)CCN(Cc1c(O)cccc1OC)C3 ZINC001331566646 1389805146 /nfs/dbraw/zinc/80/51/46/1389805146.db2.gz RUFXFFNAHJKAGK-UHFFFAOYSA-N 0 0 338.407 3.449 10 10 EGCERN O=C(NC1CC2(CC2(F)F)C1)c1cc2cc(O)c(O)cc2s1 ZINC001334237851 1390504292 /nfs/dbraw/zinc/50/42/92/1390504292.db2.gz KDOCCTXIUKKYRL-UHFFFAOYSA-N 0 0 325.336 3.230 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H]2Cc3cccnc3C2)cc1F ZINC001345919616 1390893521 /nfs/dbraw/zinc/89/35/21/1390893521.db2.gz FMSJGCHYAWEEFY-INIZCTEOSA-N 0 0 341.430 3.098 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)cc1 ZINC001346700150 1390971352 /nfs/dbraw/zinc/97/13/52/1390971352.db2.gz KALVDCLZWYMYOL-UHFFFAOYSA-N 0 0 344.377 3.322 10 10 EGCERN COc1ccc2c(c1)CC[C@H]2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001348134118 1391177387 /nfs/dbraw/zinc/17/73/87/1391177387.db2.gz JNDFMJSUWMZTSB-QGZVFWFLSA-N 0 0 342.414 3.247 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H](CCCO)c2ccccc2)cc1F ZINC001348728380 1391258130 /nfs/dbraw/zinc/25/81/30/1391258130.db2.gz XLMWVNAEWOKXIJ-QGZVFWFLSA-N 0 0 344.430 3.064 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCC(=O)OC(C)(C)C ZINC001349120845 1391304273 /nfs/dbraw/zinc/30/42/73/1391304273.db2.gz ZASJSMJGZUFXAR-UHFFFAOYSA-N 0 0 346.471 3.367 10 10 EGCERN Cc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCSc1nccs1 ZINC001492967307 1396330225 /nfs/dbraw/zinc/33/02/25/1396330225.db2.gz LRRHCTMRQITCOR-PWSUYJOCSA-N 0 0 341.481 3.020 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC1(C2CC2)CC1 ZINC001694636470 1406056318 /nfs/dbraw/zinc/05/63/18/1406056318.db2.gz AKGSBPDGLIQQJV-UHFFFAOYSA-N 0 0 326.444 3.373 10 10 EGCERN C[C@H]1CCCN1c1nnc(C2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001708089473 1417394591 /nfs/dbraw/zinc/39/45/91/1417394591.db2.gz AYLZIDPKXAXHKG-ZDUSSCGKSA-N 0 0 343.450 3.398 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1Cc1ccco1 ZINC001723144576 1424307608 /nfs/dbraw/zinc/30/76/08/1424307608.db2.gz SOTMUPFEOPBWHH-UHFFFAOYSA-N 0 0 326.400 3.385 10 10 EGCERN CCC[C@@](C)(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001763734940 1441385561 /nfs/dbraw/zinc/38/55/61/1441385561.db2.gz SLAYBZLTSGPSGF-LJQANCHMSA-N 0 0 344.459 3.049 10 10 EGCERN CN(C)c1ccc(Cn2c(C3CC3)nnc2N2CC=CCC2)cc1F ZINC001768494882 1441407690 /nfs/dbraw/zinc/40/76/90/1441407690.db2.gz OHQDZTPDHNBIPM-UHFFFAOYSA-N 0 0 341.434 3.175 10 10 EGCERN CS[C@H](C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001771387837 1441414683 /nfs/dbraw/zinc/41/46/83/1441414683.db2.gz DYGBDAJGXUFWMY-GFCCVEGCSA-N 0 0 332.473 3.249 10 10 EGCERN O=C([O-])[C@@H](Cc1c[nH]cn1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004313810 210168074 /nfs/dbraw/zinc/16/80/74/210168074.db2.gz WEKACGMBIJABEO-QGZVFWFLSA-N 0 0 332.363 3.219 10 10 EGCERN CCOc1ccc(CCN2C(=O)[C@H](C)SC2=S)cc1OCC ZINC000003615831 210066282 /nfs/dbraw/zinc/06/62/82/210066282.db2.gz PBDMNLKYZPGPAT-NSHDSACASA-N 0 0 339.482 3.275 10 10 EGCERN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cnn(C)c2)SC1=S ZINC000002787394 209912131 /nfs/dbraw/zinc/91/21/31/209912131.db2.gz BLLIELLGLFCNMZ-KSSSLANASA-N 0 0 329.450 3.383 10 10 EGCERN COc1cccc(CNc2ccc(CC(=O)NC(C)C)cc2)c1O ZINC000037554887 213156834 /nfs/dbraw/zinc/15/68/34/213156834.db2.gz CEOCGLIOASJDEK-UHFFFAOYSA-N 0 0 328.412 3.080 10 10 EGCERN Cn1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)n1 ZINC000035678259 213044974 /nfs/dbraw/zinc/04/49/74/213044974.db2.gz HDKJPVYSWUYORX-JXAWBTAJSA-N 0 0 328.375 3.255 10 10 EGCERN CCc1nc(C)ncc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000095450281 218394299 /nfs/dbraw/zinc/39/42/99/218394299.db2.gz HBHSLGIBMDZRQE-UHFFFAOYSA-N 0 0 326.444 3.076 10 10 EGCERN NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004498944 303443924 /nfs/dbraw/zinc/44/39/24/303443924.db2.gz BNFWMUYNHIPDAX-MPGHIAIKSA-N 0 0 344.411 3.300 10 10 EGCERN CC1(C)CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000280154257 455904437 /nfs/dbraw/zinc/90/44/37/455904437.db2.gz DVDBPRDUPHTMKN-INIZCTEOSA-N 0 0 346.254 3.469 10 10 EGCERN Cc1nc([C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC000190000401 455270166 /nfs/dbraw/zinc/27/01/66/455270166.db2.gz MLYUFHYKOUIRDI-DYLGSBMWSA-N 0 0 330.409 3.240 10 10 EGCERN COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000071792519 454218379 /nfs/dbraw/zinc/21/83/79/454218379.db2.gz KZSMEDIWALHQKD-NSHDSACASA-N 0 0 332.356 3.168 10 10 EGCERN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1nnc2n1CCCC2 ZINC000089913860 454233527 /nfs/dbraw/zinc/23/35/27/454233527.db2.gz IXWUVNYZKYXVRP-MRXNPFEDSA-N 0 0 339.487 3.456 10 10 EGCERN CC(=O)N(C)c1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000072596228 454315937 /nfs/dbraw/zinc/31/59/37/454315937.db2.gz DCCRFQYAJWTEEU-UHFFFAOYSA-N 0 0 340.427 3.057 10 10 EGCERN Cn1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c2cccnc21 ZINC000065216615 454538659 /nfs/dbraw/zinc/53/86/59/454538659.db2.gz PRFPJLNBFBWATF-UHFFFAOYSA-N 0 0 348.450 3.494 10 10 EGCERN O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C1CCC1 ZINC000065585936 454597257 /nfs/dbraw/zinc/59/72/57/454597257.db2.gz JASCZLHQGXZAJL-GFCCVEGCSA-N 0 0 342.361 3.328 10 10 EGCERN CCOc1cccc(CN2CCO[C@@H](c3nc(C)cs3)C2)c1O ZINC000092789985 454633957 /nfs/dbraw/zinc/63/39/57/454633957.db2.gz IKNGSFHPUYGFOG-OAHLLOKOSA-N 0 0 334.441 3.129 10 10 EGCERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000171137529 455035706 /nfs/dbraw/zinc/03/57/06/455035706.db2.gz UABAPXXZSCBKAO-UHFFFAOYSA-N 0 0 340.471 3.312 10 10 EGCERN COc1cccc(CNC(=O)c2ccc(N3CCCCC3)cc2)c1O ZINC000175339788 455438998 /nfs/dbraw/zinc/43/89/98/455438998.db2.gz BZCZKISGJXPEEJ-UHFFFAOYSA-N 0 0 340.423 3.321 10 10 EGCERN CO[C@H](C)c1noc(CN(C)Cc2c(O)ccc3ccccc32)n1 ZINC000267113303 455502465 /nfs/dbraw/zinc/50/24/65/455502465.db2.gz RTYQTQUFVGZGHG-GFCCVEGCSA-N 0 0 327.384 3.268 10 10 EGCERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC000182479186 455522042 /nfs/dbraw/zinc/52/20/42/455522042.db2.gz XKTCBQOFFMLNHB-UKRRQHHQSA-N 0 0 341.407 3.433 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cc4sccc4[nH]3)CC2)cc1 ZINC000191866518 455526777 /nfs/dbraw/zinc/52/67/77/455526777.db2.gz GZCAFFHXOMTBKG-UHFFFAOYSA-N 0 0 341.436 3.200 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(C)n1-c1ccccn1 ZINC000247241022 455577466 /nfs/dbraw/zinc/57/74/66/455577466.db2.gz PMYLUHOTPWKAEV-ZTFGCOKTSA-N 0 0 339.439 3.032 10 10 EGCERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc(O)c3O)[C@H](C)CO2)c1 ZINC000185742894 455612050 /nfs/dbraw/zinc/61/20/50/455612050.db2.gz NWOJCPZIQQJOJY-KDOFPFPSSA-N 0 0 341.407 3.317 10 10 EGCERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000248574784 455721363 /nfs/dbraw/zinc/72/13/63/455721363.db2.gz UNAWWHSKQVHUAH-BNOWGMLFSA-N 0 0 331.437 3.319 10 10 EGCERN C[S@](=O)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293511316 455788896 /nfs/dbraw/zinc/78/88/96/455788896.db2.gz CDPUPSYXVWXWQE-NYHFZMIOSA-N 0 0 341.835 3.394 10 10 EGCERN CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293638565 455793670 /nfs/dbraw/zinc/79/36/70/455793670.db2.gz NTZKJJPTEAARFK-OABGYEMISA-N 0 0 333.856 3.354 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ncnn1C(C)C ZINC000294481837 455817257 /nfs/dbraw/zinc/81/72/57/455817257.db2.gz ROYVSCVAMCHVFQ-UHFFFAOYSA-N 0 0 343.456 3.258 10 10 EGCERN NC(=O)c1ccc(C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C2CC2)cc1 ZINC000295436105 455848728 /nfs/dbraw/zinc/84/87/28/455848728.db2.gz UESWLULMYTWERN-UHFFFAOYSA-N 0 0 348.805 3.448 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1F ZINC000187514881 455919482 /nfs/dbraw/zinc/91/94/82/455919482.db2.gz RKVIPBWYSLBVMK-KYJSFNMBSA-N 0 0 349.450 3.039 10 10 EGCERN CCOC(=O)CC[C@@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000270462872 455961169 /nfs/dbraw/zinc/96/11/69/455961169.db2.gz ARKCUJMDQLVJRW-OAHLLOKOSA-N 0 0 349.475 3.016 10 10 EGCERN COc1cccc(CNC(=O)CO[C@@H]2CCCc3ccccc32)c1O ZINC000280667666 456026872 /nfs/dbraw/zinc/02/68/72/456026872.db2.gz GAGSDSMDPGHDGJ-QGZVFWFLSA-N 0 0 341.407 3.111 10 10 EGCERN COc1cc(C)cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000280733858 456041264 /nfs/dbraw/zinc/04/12/64/456041264.db2.gz DRTDHKXDRIQXSR-LBPRGKRZSA-N 0 0 344.411 3.476 10 10 EGCERN Cc1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)n1 ZINC000286991468 456058674 /nfs/dbraw/zinc/05/86/74/456058674.db2.gz FWHJEWQQLNVASE-UHFFFAOYSA-N 0 0 331.847 3.311 10 10 EGCERN CCCOc1ccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c(O)c1 ZINC000188466452 456068148 /nfs/dbraw/zinc/06/81/48/456068148.db2.gz CAGOFGCXBLRIOT-AWEZNQCLSA-N 0 0 344.459 3.473 10 10 EGCERN CC[C@@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(F)cc1[O-] ZINC000287567756 456072586 /nfs/dbraw/zinc/07/25/86/456072586.db2.gz QKYIMAOZAIEFMK-DOTOQJQBSA-N 0 0 346.450 3.283 10 10 EGCERN Cc1ccc(O)c(CNc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c1 ZINC000288514296 456098013 /nfs/dbraw/zinc/09/80/13/456098013.db2.gz JAULQMWTBSHHCT-ZDUSSCGKSA-N 0 0 339.395 3.066 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000297141952 456130184 /nfs/dbraw/zinc/13/01/84/456130184.db2.gz ZKCMXTQRQJRINR-LLVKDONJSA-N 0 0 345.346 3.294 10 10 EGCERN CCOCc1nc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)no1 ZINC000290997251 456491273 /nfs/dbraw/zinc/49/12/73/456491273.db2.gz ALUVSJMBXHJCPY-OAHLLOKOSA-N 0 0 344.459 3.447 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@H](CC(F)(F)F)C2)cc1OC ZINC000277534433 456855222 /nfs/dbraw/zinc/85/52/22/456855222.db2.gz WFGYJVIFEHWITO-SECBINFHSA-N 0 0 334.294 3.391 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc[nH]c1C1CCC1 ZINC000362869043 457134758 /nfs/dbraw/zinc/13/47/58/457134758.db2.gz SNFYWVFIJRFKMJ-UHFFFAOYSA-N 0 0 325.412 3.387 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000365823084 457778952 /nfs/dbraw/zinc/77/89/52/457778952.db2.gz YHBKNPDQYAVMIT-IEBWSBKVSA-N 0 0 340.423 3.454 10 10 EGCERN CCNC(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 ZINC000362032638 458016104 /nfs/dbraw/zinc/01/61/04/458016104.db2.gz OPKPNZJROLKREC-UHFFFAOYSA-N 0 0 342.830 3.173 10 10 EGCERN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1nnc2n1CCCCC2 ZINC000371679853 458030930 /nfs/dbraw/zinc/03/09/30/458030930.db2.gz UBBDERVLYALJQO-ZDUSSCGKSA-N 0 0 331.439 3.060 10 10 EGCERN O=C(CSc1nccs1)N1CCC(OCc2ccccc2)CC1 ZINC000377439988 458500351 /nfs/dbraw/zinc/50/03/51/458500351.db2.gz NQICRCSSOYUENJ-UHFFFAOYSA-N 0 0 348.493 3.443 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530195992 458713690 /nfs/dbraw/zinc/71/36/90/458713690.db2.gz IEYMFONUWMLGMU-UPJWGTAASA-N 0 0 348.830 3.246 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000528865743 459815694 /nfs/dbraw/zinc/81/56/94/459815694.db2.gz UXQNFVMYJDPLSL-DLBZAZTESA-N 0 0 329.371 3.350 10 10 EGCERN CC(C)c1nocc1C(=O)NCc1cc(Br)ccc1O ZINC000529386264 459828220 /nfs/dbraw/zinc/82/82/20/459828220.db2.gz IANVLVHPMVVJCK-UHFFFAOYSA-N 0 0 339.189 3.196 10 10 EGCERN CC(C)(C)c1cc(O)c(O)c(CN2CCOC[C@H]2C(F)(F)F)c1 ZINC000739865279 574568163 /nfs/dbraw/zinc/56/81/63/574568163.db2.gz ANSYGZNGSXPBMZ-ZDUSSCGKSA-N 0 0 333.350 3.158 10 10 EGCERN COc1ccc(C2=N/C(=C\c3ccc(N(C)C)c(F)c3)C(=O)O2)cc1 ZINC000727660270 574681942 /nfs/dbraw/zinc/68/19/42/574681942.db2.gz XJNWHLKTFWJKGY-WJDWOHSUSA-N 0 0 340.354 3.245 10 10 EGCERN COC(=O)c1cc(F)ccc1CN(C)c1ccc(OC)c(OC)c1 ZINC000728916305 574786453 /nfs/dbraw/zinc/78/64/53/574786453.db2.gz FLHIXJKZTOLEEE-UHFFFAOYSA-N 0 0 333.359 3.266 10 10 EGCERN COC(=O)Nc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000728977846 574790797 /nfs/dbraw/zinc/79/07/97/574790797.db2.gz FKJYCXFVEFMOCD-NSHDSACASA-N 0 0 344.367 3.070 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000729277630 574834963 /nfs/dbraw/zinc/83/49/63/574834963.db2.gz FWQFLRAAAGIEQL-LBPRGKRZSA-N 0 0 329.371 3.449 10 10 EGCERN O=C(Cn1ncc2ccccc21)NCc1ccc(N2CCCCC2)cc1 ZINC000730538805 574999511 /nfs/dbraw/zinc/99/95/11/574999511.db2.gz YUSKEKRFDUIXPD-UHFFFAOYSA-N 0 0 348.450 3.343 10 10 EGCERN C[C@@H](NC(=O)N[C@@H](C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000733801267 575398049 /nfs/dbraw/zinc/39/80/49/575398049.db2.gz FICUCOMOXICHBP-JKSUJKDBSA-N 0 0 345.487 3.462 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](O)C(F)(F)F ZINC000736214079 575915657 /nfs/dbraw/zinc/91/56/57/575915657.db2.gz AYQXDYAAXVDKEE-LBPRGKRZSA-N 0 0 346.374 3.199 10 10 EGCERN CN(Cc1nccn1CC(F)(F)F)Cc1cc2c(cc1O)CCC2 ZINC000738157316 576294518 /nfs/dbraw/zinc/29/45/18/576294518.db2.gz VQAJJBHGPUYAAS-UHFFFAOYSA-N 0 0 339.361 3.272 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)cc1 ZINC000740850492 576629416 /nfs/dbraw/zinc/62/94/16/576629416.db2.gz MQIBIRYLNXLPON-PKOBYXMFSA-N 0 0 326.440 3.375 10 10 EGCERN CCN(CC)c1ccc(CN(C)CC(=O)NC2CCCCC2)cc1 ZINC000741675865 576710262 /nfs/dbraw/zinc/71/02/62/576710262.db2.gz GWVWCWJFQLYMIP-UHFFFAOYSA-N 0 0 331.504 3.414 10 10 EGCERN C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000708100113 1298234986 /nfs/dbraw/zinc/23/49/86/1298234986.db2.gz RKBMXBYDUNXBJF-MWLCHTKSSA-N 0 0 347.684 3.225 10 10 EGCERN O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCOc2ccccc21 ZINC000032922895 1291383730 /nfs/dbraw/zinc/38/37/30/1291383730.db2.gz WQZFEEMTXJUFIN-ZHACJKMWSA-N 0 0 331.375 3.311 10 10 EGCERN Cc1csc([C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000069327728 1292239999 /nfs/dbraw/zinc/23/99/99/1292239999.db2.gz GUVVVPIEAHBNPG-ZDUSSCGKSA-N 0 0 332.473 3.420 10 10 EGCERN COc1ccc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000078868554 1292529930 /nfs/dbraw/zinc/52/99/30/1292529930.db2.gz AOFKIFXNOPOCKX-UHFFFAOYSA-N 0 0 330.403 3.165 10 10 EGCERN CC(C)OC(=O)[C@@H]1CCCN1Cc1cc(Br)ccc1O ZINC000093535728 1292924482 /nfs/dbraw/zinc/92/44/82/1292924482.db2.gz ZMNKCFUSWQGQBG-ZDUSSCGKSA-N 0 0 342.233 3.071 10 10 EGCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000103012211 1292989458 /nfs/dbraw/zinc/98/94/58/1292989458.db2.gz JKUZCHGVTRPTOR-UHFFFAOYSA-N 0 0 336.313 3.193 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2nc(C)cs2)c1 ZINC000103516454 1293008529 /nfs/dbraw/zinc/00/85/29/1293008529.db2.gz BHXSMDKWZGOSTO-QWRGUYRKSA-N 0 0 335.429 3.287 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000158951675 1294220450 /nfs/dbraw/zinc/22/04/50/1294220450.db2.gz DZQURZKZUPWLJT-UHFFFAOYSA-N 0 0 344.754 3.336 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2cnccn2)c(C)n1-c1ccc(F)cc1 ZINC000172157804 1294429582 /nfs/dbraw/zinc/42/95/82/1294429582.db2.gz LPMZLMZKJMQVJR-UHFFFAOYSA-N 0 0 338.386 3.295 10 10 EGCERN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1O ZINC000175931549 1294580812 /nfs/dbraw/zinc/58/08/12/1294580812.db2.gz DESFJDGZGHJFIN-TZMCWYRMSA-N 0 0 333.334 3.099 10 10 EGCERN C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204431 1296271112 /nfs/dbraw/zinc/27/11/12/1296271112.db2.gz DSXDBAQGHOCPQY-ZDUSSCGKSA-N 0 0 333.391 3.056 10 10 EGCERN COC(=O)c1cc(OCc2scnc2Cl)ccc1N(C)C ZINC000871681464 1296477152 /nfs/dbraw/zinc/47/71/52/1296477152.db2.gz HBARRBZLCLSZQG-UHFFFAOYSA-N 0 0 326.805 3.228 10 10 EGCERN O=C1N=C(NC2CCCCC2)SC1=Cc1cnn2ccccc12 ZINC000255025791 1296489689 /nfs/dbraw/zinc/48/96/89/1296489689.db2.gz FESVEMIXDKWPHL-XNTDXEJSSA-N 0 0 326.425 3.227 10 10 EGCERN CCOC(=O)c1ncc(COc2ccc(N3CCCC3)cc2)s1 ZINC000871736582 1296509044 /nfs/dbraw/zinc/50/90/44/1296509044.db2.gz QCOZACFBAXUYIV-UHFFFAOYSA-N 0 0 332.425 3.499 10 10 EGCERN C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000872114921 1296742389 /nfs/dbraw/zinc/74/23/89/1296742389.db2.gz YTFUMSYDVYOEGG-WDEREUQCSA-N 0 0 331.334 3.405 10 10 EGCERN c1ccc(-n2nnc(CNCc3ccc4c(c3)CCO4)c2C2CC2)cc1 ZINC000876996163 1299107301 /nfs/dbraw/zinc/10/73/01/1299107301.db2.gz NXCJICQDFADQPK-UHFFFAOYSA-N 0 0 346.434 3.369 10 10 EGCERN CC(=O)c1cc(Cl)cc(Cn2cc([C@@H]3CCCCO3)nn2)c1O ZINC000880999708 1301382868 /nfs/dbraw/zinc/38/28/68/1301382868.db2.gz RBPWBAPNFXKMLE-HNNXBMFYSA-N 0 0 335.791 3.130 10 10 EGCERN C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275746 1309267234 /nfs/dbraw/zinc/26/72/34/1309267234.db2.gz OXRCCEBSYNDHST-IINYFYTJSA-N 0 0 346.652 3.276 10 10 EGCERN C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000895477019 1309359082 /nfs/dbraw/zinc/35/90/82/1309359082.db2.gz PGUMFKYXRBGOBY-UFBFGSQYSA-N 0 0 325.277 3.212 10 10 EGCERN Cc1c(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]c1C1CC1 ZINC000895991532 1309636200 /nfs/dbraw/zinc/63/62/00/1309636200.db2.gz VCZLZLAEVQODQC-UHFFFAOYSA-N 0 0 329.381 3.474 10 10 EGCERN CCOC[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896352551 1309818653 /nfs/dbraw/zinc/81/86/53/1309818653.db2.gz LDHQPBQGEHYPIW-NSHDSACASA-N 0 0 335.425 3.201 10 10 EGCERN Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896498301 1309887250 /nfs/dbraw/zinc/88/72/50/1309887250.db2.gz YUPNYFWQDGCPNJ-MRVPVSSYSA-N 0 0 346.408 3.278 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2c[nH]cn2)CC1 ZINC000896882217 1310066626 /nfs/dbraw/zinc/06/66/26/1310066626.db2.gz AQTNIBPACKCAEU-UHFFFAOYSA-N 0 0 343.408 3.055 10 10 EGCERN C[C@@H](CCO)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897310404 1310284048 /nfs/dbraw/zinc/28/40/48/1310284048.db2.gz ROWQBJYEOFDORM-NSHDSACASA-N 0 0 349.452 3.231 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](OC(F)F)C1 ZINC000897354504 1310305609 /nfs/dbraw/zinc/30/56/09/1310305609.db2.gz YHPQGIVMPCPAFN-VIFPVBQESA-N 0 0 343.351 3.156 10 10 EGCERN CO[C@@H]1C[C@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000897920053 1310516598 /nfs/dbraw/zinc/51/65/98/1310516598.db2.gz UOXBVFINHJMTGZ-JKSUJKDBSA-N 0 0 347.436 3.342 10 10 EGCERN CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCCO1 ZINC000899172487 1310965952 /nfs/dbraw/zinc/96/59/52/1310965952.db2.gz WLMHFPNUCUNSNH-HNNXBMFYSA-N 0 0 335.425 3.390 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)nn3)ccc21 ZINC000857693213 1328585496 /nfs/dbraw/zinc/58/54/96/1328585496.db2.gz PFFYJYIHICIRSU-UHFFFAOYSA-N 0 0 342.374 3.086 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCn2cncc21 ZINC000857988032 1328649352 /nfs/dbraw/zinc/64/93/52/1328649352.db2.gz ARPCYFGQWQMNHD-QGZVFWFLSA-N 0 0 334.423 3.474 10 10 EGCERN COc1cccc(C[C@H](C)NC(=O)NCc2cc(C)ccc2O)c1 ZINC000858215982 1328713704 /nfs/dbraw/zinc/71/37/04/1328713704.db2.gz RQWZIKHUCQKCEJ-AWEZNQCLSA-N 0 0 328.412 3.140 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000858274554 1328727125 /nfs/dbraw/zinc/72/71/25/1328727125.db2.gz VSQMMJFTKSPQRN-IQUTYRLHSA-N 0 0 340.423 3.453 10 10 EGCERN Cc1cc(CNC(=O)N[C@@H](C)c2cn[nH]c2)c(C)n1-c1ccccc1 ZINC000858325987 1328737198 /nfs/dbraw/zinc/73/71/98/1328737198.db2.gz SNWXDZYIAXONGY-AWEZNQCLSA-N 0 0 337.427 3.378 10 10 EGCERN COc1nnc(CN(Cc2ccco2)Cc2ccccc2O)s1 ZINC000929971596 1328753570 /nfs/dbraw/zinc/75/35/70/1328753570.db2.gz PPVLMBUFSOLJPS-UHFFFAOYSA-N 0 0 331.397 3.048 10 10 EGCERN CC[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858435400 1328761516 /nfs/dbraw/zinc/76/15/16/1328761516.db2.gz HJOCPSFPLXJKPR-STQMWFEESA-N 0 0 344.242 3.207 10 10 EGCERN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858453056 1328765878 /nfs/dbraw/zinc/76/58/78/1328765878.db2.gz JFWTWIMTBROYIR-WBMJQRKESA-N 0 0 328.368 3.093 10 10 EGCERN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c2nccn2c1 ZINC000858452063 1328765967 /nfs/dbraw/zinc/76/59/67/1328765967.db2.gz IAFVTWWLUWULSK-UHFFFAOYSA-N 0 0 334.423 3.173 10 10 EGCERN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858464231 1328768267 /nfs/dbraw/zinc/76/82/67/1328768267.db2.gz KCLMGYDIWRHNHB-CJNGLKHVSA-N 0 0 333.432 3.358 10 10 EGCERN CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858523915 1328787854 /nfs/dbraw/zinc/78/78/54/1328787854.db2.gz YRYRDUPNFPNLEL-GXFFZTMASA-N 0 0 333.259 3.070 10 10 EGCERN C[C@@H](NCc1c(F)cncc1F)c1ccc(N2CCOCC2)cc1 ZINC000930209516 1328812787 /nfs/dbraw/zinc/81/27/87/1328812787.db2.gz FQJZXPWERFQNIG-CYBMUJFWSA-N 0 0 333.382 3.047 10 10 EGCERN COc1ccc(N2CCC(NC(=O)NCCC3CC=CC3)CC2)cc1 ZINC000916226301 1319621743 /nfs/dbraw/zinc/62/17/43/1319621743.db2.gz PCMWSFWZHIVJNF-UHFFFAOYSA-N 0 0 343.471 3.320 10 10 EGCERN COC(=O)[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000917480652 1319817943 /nfs/dbraw/zinc/81/79/43/1319817943.db2.gz QWXNBWHREVIFBE-LBPRGKRZSA-N 0 0 329.396 3.012 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCc2cccnc21 ZINC000919919186 1322117068 /nfs/dbraw/zinc/11/70/68/1322117068.db2.gz WFNWUUVLLZPTGW-IBGZPJMESA-N 0 0 348.450 3.335 10 10 EGCERN CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1ccc(N(C)C)cc1 ZINC000859523593 1329007286 /nfs/dbraw/zinc/00/72/86/1329007286.db2.gz QBGJACYTDOBUQH-SFHVURJKSA-N 0 0 328.412 3.008 10 10 EGCERN C[C@@H](NC(=O)N1CCOC[C@@H]1CC1CC1)c1ccc(N(C)C)cc1 ZINC000922055652 1322446011 /nfs/dbraw/zinc/44/60/11/1322446011.db2.gz RSJIEDUBFVMBBX-KDOFPFPSSA-N 0 0 331.460 3.024 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922673861 1322584719 /nfs/dbraw/zinc/58/47/19/1322584719.db2.gz VENWVEKIIYQMOA-JQWIXIFHSA-N 0 0 325.277 3.260 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1CSC1 ZINC000923816041 1322816058 /nfs/dbraw/zinc/81/60/58/1322816058.db2.gz YIKHHHVKMHKVCW-UHFFFAOYSA-N 0 0 333.501 3.181 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)Nc1cnc(CC2CC2)nc1 ZINC000931326280 1329093991 /nfs/dbraw/zinc/09/39/91/1329093991.db2.gz ZKMIOILTSPTNPO-UHFFFAOYSA-N 0 0 332.791 3.110 10 10 EGCERN COc1ccc(O)c(CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)c1 ZINC000860241371 1329181712 /nfs/dbraw/zinc/18/17/12/1329181712.db2.gz JOAPVQUOOHNDBP-UHFFFAOYSA-N 0 0 326.396 3.414 10 10 EGCERN C[C@H](NC(=O)NCc1ccc2c(c1)C[C@H](C)O2)c1ccccc1O ZINC000926471152 1325565946 /nfs/dbraw/zinc/56/59/46/1325565946.db2.gz PROCJNHWJBQJFE-STQMWFEESA-N 0 0 326.396 3.276 10 10 EGCERN C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927149207 1327892485 /nfs/dbraw/zinc/89/24/85/1327892485.db2.gz ZWACJXQJQUFITE-BDAKNGLRSA-N 0 0 341.242 3.036 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000928709285 1328404434 /nfs/dbraw/zinc/40/44/34/1328404434.db2.gz HXENVBOARWPDFQ-HNNXBMFYSA-N 0 0 345.370 3.019 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000861379310 1329414583 /nfs/dbraw/zinc/41/45/83/1329414583.db2.gz ITEBPNMMVRMPKM-KXTWHKPSSA-N 0 0 336.435 3.364 10 10 EGCERN COC1CCC(CC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862027027 1329455784 /nfs/dbraw/zinc/45/57/84/1329455784.db2.gz HFQLSEYOICVPJR-UHFFFAOYSA-N 0 0 328.412 3.152 10 10 EGCERN CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027538 1329455948 /nfs/dbraw/zinc/45/59/48/1329455948.db2.gz WCYMEOSWCZVALY-YOEHRIQHSA-N 0 0 342.439 3.398 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)c3coc(C(F)F)c3)C2)cc1 ZINC000862158479 1329463402 /nfs/dbraw/zinc/46/34/02/1329463402.db2.gz IHMUUVDBCZEMSN-LBPRGKRZSA-N 0 0 336.338 3.235 10 10 EGCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000862434468 1329486609 /nfs/dbraw/zinc/48/66/09/1329486609.db2.gz CNNGCXGZUNQNEK-NSHDSACASA-N 0 0 337.704 3.274 10 10 EGCERN Cc1cc(C2([NH2+]Cc3cc(Cl)c(F)cc3[O-])CCOCC2)on1 ZINC000862542514 1329494783 /nfs/dbraw/zinc/49/47/83/1329494783.db2.gz QZJTWZDWQDRQDI-UHFFFAOYSA-N 0 0 340.782 3.277 10 10 EGCERN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1C1CCOCC1 ZINC000862753758 1329506389 /nfs/dbraw/zinc/50/63/89/1329506389.db2.gz GRDHTJUUNQFVNT-UHFFFAOYSA-N 0 0 342.439 3.400 10 10 EGCERN Cc1cc(C(=O)N2CCO[C@H](CCF)C2)c(C)n1-c1ccc(F)cc1 ZINC000863079354 1329528089 /nfs/dbraw/zinc/52/80/89/1329528089.db2.gz KQYZYRTXPKSKPF-QGZVFWFLSA-N 0 0 348.393 3.434 10 10 EGCERN COC[C@]1(C)CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1 ZINC000863829167 1329584026 /nfs/dbraw/zinc/58/40/26/1329584026.db2.gz IEDZNHHEJQQWPH-SFHVURJKSA-N 0 0 348.468 3.033 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(N=S(C)(C)=O)cc2)cc1 ZINC000864574022 1329627053 /nfs/dbraw/zinc/62/70/53/1329627053.db2.gz WIKAVCNFLVLMBU-UHFFFAOYSA-N 0 0 345.468 3.042 10 10 EGCERN CC1(c2nsc(NCc3ccc(N4CCOCC4)c(F)c3)n2)CC1 ZINC000865293745 1329684113 /nfs/dbraw/zinc/68/41/13/1329684113.db2.gz UXWUTVMJABLHDD-UHFFFAOYSA-N 0 0 348.447 3.177 10 10 EGCERN Cc1cc(C(C)C)nc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000865460636 1329700492 /nfs/dbraw/zinc/70/04/92/1329700492.db2.gz OCRURKHWUCZLHX-UHFFFAOYSA-N 0 0 326.444 3.357 10 10 EGCERN F[C@H]1COc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000866240955 1330084202 /nfs/dbraw/zinc/08/42/02/1330084202.db2.gz RQTXSCVDWOYSJS-ICSRJNTNSA-N 0 0 342.414 3.085 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1c(Cl)n[nH]c1C1CC1 ZINC000866770675 1330147835 /nfs/dbraw/zinc/14/78/35/1330147835.db2.gz BEAILYMITZDNFM-UHFFFAOYSA-N 0 0 345.830 3.455 10 10 EGCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866898274 1330155500 /nfs/dbraw/zinc/15/55/00/1330155500.db2.gz RWLQZFGRZZGCGT-FWEDZOCSSA-N 0 0 329.440 3.192 10 10 EGCERN O=C(NCc1cccc(Br)c1O)OCCC(F)(F)F ZINC000867195915 1330183904 /nfs/dbraw/zinc/18/39/04/1330183904.db2.gz ZCXWXIBZBDEUOV-UHFFFAOYSA-N 0 0 342.111 3.333 10 10 EGCERN C[C@H](NC(=O)NCCCOc1ccccc1F)c1ccccc1O ZINC000868018252 1330241127 /nfs/dbraw/zinc/24/11/27/1330241127.db2.gz IYBQZVOTBRYEGX-ZDUSSCGKSA-N 0 0 332.375 3.361 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)/C=C/COC1CCOCC1 ZINC000868110073 1330250512 /nfs/dbraw/zinc/25/05/12/1330250512.db2.gz RSZOFWUDOUBMSC-RMKNXTFCSA-N 0 0 347.455 3.273 10 10 EGCERN COCc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)ccc1F ZINC000868224314 1330263056 /nfs/dbraw/zinc/26/30/56/1330263056.db2.gz CGEOYXQOMKORID-LBPRGKRZSA-N 0 0 332.375 3.238 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCC12CCOCC2 ZINC000869034309 1330398955 /nfs/dbraw/zinc/39/89/55/1330398955.db2.gz WGVPISXJUKXGEQ-CYBMUJFWSA-N 0 0 338.835 3.052 10 10 EGCERN Cc1ncnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C ZINC001184938614 1387566402 /nfs/dbraw/zinc/56/64/02/1387566402.db2.gz ZHGZJLKKFNQUDY-STQMWFEESA-N 0 0 344.434 3.458 10 10 EGCERN CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001324291288 1387583637 /nfs/dbraw/zinc/58/36/37/1387583637.db2.gz LIIDFBAHFLPWLL-HNNXBMFYSA-N 0 0 340.786 3.027 10 10 EGCERN CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001324702565 1387743494 /nfs/dbraw/zinc/74/34/94/1387743494.db2.gz LTYWUVFSPNEMRO-XJKCOSOUSA-N 0 0 338.398 3.419 10 10 EGCERN O=[N+]([O-])c1cnc(N2CC=C(c3ccc(Cl)nc3)CC2)c(F)c1 ZINC001185968534 1387838860 /nfs/dbraw/zinc/83/88/60/1387838860.db2.gz IGGXCPZRDOVXIP-UHFFFAOYSA-N 0 0 334.738 3.471 10 10 EGCERN COC(=O)c1cnc(S[C@@H](C)C(=O)c2ccc(F)cc2)s1 ZINC001189407987 1367013834 /nfs/dbraw/zinc/01/38/34/1367013834.db2.gz RWLOKSPVLMLHCE-QMMMGPOBSA-N 0 0 325.386 3.432 10 10 EGCERN COC(=O)c1cnc(Sc2cc(C)nc(-c3cccnc3)n2)s1 ZINC001186557545 1387970207 /nfs/dbraw/zinc/97/02/07/1387970207.db2.gz XUVVQITZTFNLKV-UHFFFAOYSA-N 0 0 344.421 3.241 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2csc(N3CCCCC3)n2)cc1 ZINC001124480435 1372705543 /nfs/dbraw/zinc/70/55/43/1372705543.db2.gz OVFKTTMSPWMKSM-UHFFFAOYSA-N 0 0 344.484 3.129 10 10 EGCERN Cc1c(Cl)c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)nn1C ZINC001124549439 1372711597 /nfs/dbraw/zinc/71/15/97/1372711597.db2.gz IOZWQDUWHROMJA-UHFFFAOYSA-N 0 0 346.862 3.254 10 10 EGCERN Cc1ncccc1/C=C/C(=O)N(C)c1cccc(Br)n1 ZINC001128321542 1373251368 /nfs/dbraw/zinc/25/13/68/1373251368.db2.gz OTVWPANBZSNSQD-CMDGGOBGSA-N 0 0 332.201 3.224 10 10 EGCERN CC[C@@](C)(CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001228766670 1375669705 /nfs/dbraw/zinc/66/97/05/1375669705.db2.gz RZDGMTSZTUOZQI-KXBFYZLASA-N 0 0 335.492 3.106 10 10 EGCERN CCC(C)(C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001230858634 1376165939 /nfs/dbraw/zinc/16/59/39/1376165939.db2.gz MAMPVKGJXNOUKC-HNNXBMFYSA-N 0 0 333.476 3.399 10 10 EGCERN CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)C1=CC(=O)CS1 ZINC001136297424 1377374226 /nfs/dbraw/zinc/37/42/26/1377374226.db2.gz WJZLSPWMHHMQGC-UHFFFAOYSA-N 0 0 338.816 3.498 10 10 EGCERN CN(C)C(=O)Sc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001136783100 1377422922 /nfs/dbraw/zinc/42/29/22/1377422922.db2.gz QGMMVKDEKLNXNR-UHFFFAOYSA-N 0 0 346.408 3.053 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@](C)(O)C(C)C ZINC001136987706 1377451138 /nfs/dbraw/zinc/45/11/38/1377451138.db2.gz GFWIGVIYWDIUEQ-HXUWFJFHSA-N 0 0 342.439 3.043 10 10 EGCERN Nc1c(F)cc(F)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001137445091 1377548680 /nfs/dbraw/zinc/54/86/80/1377548680.db2.gz VEADSPTYGZUNIZ-UHFFFAOYSA-N 0 0 332.350 3.061 10 10 EGCERN CN(CCOCc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137521613 1377560613 /nfs/dbraw/zinc/56/06/13/1377560613.db2.gz SUICQBXGTVWATP-UHFFFAOYSA-N 0 0 340.383 3.138 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)CC2)cc1 ZINC001137658696 1377584479 /nfs/dbraw/zinc/58/44/79/1377584479.db2.gz SKGOALMMPYCIGS-VQIMIIECSA-N 0 0 330.472 3.416 10 10 EGCERN C=CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC001138362352 1377710598 /nfs/dbraw/zinc/71/05/98/1377710598.db2.gz CTEZKKCQCWAOBF-CQSZACIVSA-N 0 0 337.423 3.368 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(Cl)cn1C ZINC001142418808 1378441740 /nfs/dbraw/zinc/44/17/40/1378441740.db2.gz KZSNCBLPPBAVQD-CYBMUJFWSA-N 0 0 333.863 3.414 10 10 EGCERN CCC(=O)Nc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142727781 1378481603 /nfs/dbraw/zinc/48/16/03/1378481603.db2.gz FBWKFQQBSQCBSI-UHFFFAOYSA-N 0 0 349.390 3.219 10 10 EGCERN COc1ccc(OC(C)C)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001144884676 1378778691 /nfs/dbraw/zinc/77/86/91/1378778691.db2.gz UQPMEFGVRLSRRI-UHFFFAOYSA-N 0 0 331.368 3.075 10 10 EGCERN CC(C)CCO[C@H]1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001147844551 1379089616 /nfs/dbraw/zinc/08/96/16/1379089616.db2.gz DPCAXFDFYAJREE-WKILWMFISA-N 0 0 335.444 3.130 10 10 EGCERN COc1cccc(CNC(=O)C2(c3ccnc4ccccc43)CC2)c1O ZINC001150543776 1379564753 /nfs/dbraw/zinc/56/47/53/1379564753.db2.gz SUKBCYQVDBWHMI-UHFFFAOYSA-N 0 0 348.402 3.297 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[C@@H](F)C1 ZINC001327997003 1388641221 /nfs/dbraw/zinc/64/12/21/1388641221.db2.gz NVAKVJAHWWRLCY-BXKDBHETSA-N 0 0 330.197 3.299 10 10 EGCERN COc1ccc(C2CC2)cc1CNC(=O)c1ccc(C)c(O)c1O ZINC001153687881 1380114981 /nfs/dbraw/zinc/11/49/81/1380114981.db2.gz CALWSDFSAMCLHC-UHFFFAOYSA-N 0 0 327.380 3.222 10 10 EGCERN CSCCONC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001156655892 1380605288 /nfs/dbraw/zinc/60/52/88/1380605288.db2.gz MLCOZOSONUEKAF-UHFFFAOYSA-N 0 0 346.452 3.239 10 10 EGCERN CC1(C)C(=O)Nc2cc(C(=O)NCc3cccc(Cl)c3O)ccc21 ZINC001159041290 1381537554 /nfs/dbraw/zinc/53/75/54/1381537554.db2.gz GZKBQUQFIKTXDL-UHFFFAOYSA-N 0 0 344.798 3.205 10 10 EGCERN Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccc(O)c(O)c3)c2c1 ZINC001159213908 1381732723 /nfs/dbraw/zinc/73/27/23/1381732723.db2.gz DFYVBHLNWJJYIZ-QPJJXVBHSA-N 0 0 336.391 3.260 10 10 EGCERN COCOCCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001159753402 1381889146 /nfs/dbraw/zinc/88/91/46/1381889146.db2.gz PXPYHWREKGMBGP-UHFFFAOYSA-N 0 0 344.455 3.451 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCCCOc2ccccc2)cc1 ZINC001290359824 1382085195 /nfs/dbraw/zinc/08/51/95/1382085195.db2.gz YADRSCQDFRDSQO-UHFFFAOYSA-N 0 0 326.356 3.048 10 10 EGCERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc2cc(O)c(O)cc2s1 ZINC001293543704 1382297406 /nfs/dbraw/zinc/29/74/06/1382297406.db2.gz YTUDFIHXFPITPX-UHFFFAOYSA-N 0 0 344.348 3.151 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC001161121002 1382306351 /nfs/dbraw/zinc/30/63/51/1382306351.db2.gz LDQIUXIBBHBPSZ-RHSMWYFYSA-N 0 0 340.423 3.204 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328624026 1388791670 /nfs/dbraw/zinc/79/16/70/1388791670.db2.gz LSKIAROBJONFGF-GJMOJQLCSA-N 0 0 327.718 3.496 10 10 EGCERN CCNc1ncc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC001162113023 1382631653 /nfs/dbraw/zinc/63/16/53/1382631653.db2.gz CIDFRKCRIKXCET-CYBMUJFWSA-N 0 0 346.500 3.310 10 10 EGCERN Oc1cccc(F)c1CNc1ccc2nnc(-c3ccsc3)n2n1 ZINC001164185622 1383163987 /nfs/dbraw/zinc/16/39/87/1383163987.db2.gz OGLRCJVDIVYAKN-UHFFFAOYSA-N 0 0 341.371 3.310 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(Cl)c1N ZINC001297562700 1383185438 /nfs/dbraw/zinc/18/54/38/1383185438.db2.gz PFFWHWRAUFFTQV-UHFFFAOYSA-N 0 0 325.792 3.044 10 10 EGCERN COc1cncc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC001166846000 1383486895 /nfs/dbraw/zinc/48/68/95/1383486895.db2.gz WMMPLYICBFXHPU-UHFFFAOYSA-N 0 0 336.395 3.453 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1c(O)cccc1Cl ZINC001299721420 1383622669 /nfs/dbraw/zinc/62/26/69/1383622669.db2.gz KHNZFFOEOITFDS-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN CCN(C(=O)c1ccnc2c1CC(=O)N2)c1cccc(C(F)(F)F)c1 ZINC001299788607 1383628420 /nfs/dbraw/zinc/62/84/20/1383628420.db2.gz WWFUQGWZWBBCGP-UHFFFAOYSA-N 0 0 349.312 3.262 10 10 EGCERN COc1cccnc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001299789859 1383628562 /nfs/dbraw/zinc/62/85/62/1383628562.db2.gz SGZZYTWAYGXEKR-UHFFFAOYSA-N 0 0 325.412 3.011 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001167793326 1383741611 /nfs/dbraw/zinc/74/16/11/1383741611.db2.gz PCAPAANNYVMFLV-AWEZNQCLSA-N 0 0 347.361 3.325 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1Cc1ccco1 ZINC001304050003 1383825388 /nfs/dbraw/zinc/82/53/88/1383825388.db2.gz GKMLQEFIQCCRBE-UHFFFAOYSA-N 0 0 340.379 3.087 10 10 EGCERN COc1cccc(CNC(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c1O ZINC001313058449 1384391255 /nfs/dbraw/zinc/39/12/55/1384391255.db2.gz KAUPSCAZMHAHOB-WMZOPIPTSA-N 0 0 340.423 3.392 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCCC23CC3)cc1 ZINC001313120099 1384397580 /nfs/dbraw/zinc/39/75/80/1384397580.db2.gz GQVIVPWRCPCCSU-KRWDZBQOSA-N 0 0 331.460 3.106 10 10 EGCERN CC[C@@H](C)[C@H](O)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001313132752 1384398687 /nfs/dbraw/zinc/39/86/87/1384398687.db2.gz PTMXULDYKNKRHA-AUUYWEPGSA-N 0 0 343.471 3.300 10 10 EGCERN CC(C)OC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC001313241237 1384404775 /nfs/dbraw/zinc/40/47/75/1384404775.db2.gz OBKPRWDKQJKTAM-UHFFFAOYSA-N 0 0 346.471 3.418 10 10 EGCERN COc1cc(Br)cc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001175037055 1385184611 /nfs/dbraw/zinc/18/46/11/1385184611.db2.gz BHJQPBZBSNLHRG-UHFFFAOYSA-N 0 0 348.196 3.319 10 10 EGCERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175038731 1385184707 /nfs/dbraw/zinc/18/47/07/1385184707.db2.gz UHCXZZBVFXQYKI-UHFFFAOYSA-N 0 0 330.365 3.178 10 10 EGCERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC001319456303 1386129756 /nfs/dbraw/zinc/12/97/56/1386129756.db2.gz RHPMIIZLGSVHFV-GJZGRUSLSA-N 0 0 348.443 3.092 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ncc(Cc2ccccc2)o1 ZINC001178412879 1386209910 /nfs/dbraw/zinc/20/99/10/1386209910.db2.gz JDMGRRKMLLFKHY-UHFFFAOYSA-N 0 0 326.327 3.040 10 10 EGCERN Cc1cc(CC(=O)N(C)Cc2cccc(=O)[nH]2)c(C)n1-c1ccccc1 ZINC001178776550 1386300331 /nfs/dbraw/zinc/30/03/31/1386300331.db2.gz CNOYBXHSKIRVCF-UHFFFAOYSA-N 0 0 349.434 3.396 10 10 EGCERN O=C(C[C@H](O)c1cccc(F)c1)NCc1c(O)ccc2ccccc21 ZINC001179032419 1386383634 /nfs/dbraw/zinc/38/36/34/1386383634.db2.gz GISUOPZPPOQJFU-IBGZPJMESA-N 0 0 339.366 3.424 10 10 EGCERN Cc1ncccc1/C=C/C(=O)N1CCCc2c3ncn(C)c3ccc21 ZINC001181223064 1386963046 /nfs/dbraw/zinc/96/30/46/1386963046.db2.gz LPCYSTJGQROGHH-JXMROGBWSA-N 0 0 332.407 3.269 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCC2CCC(O)CC2)cc1 ZINC001329415613 1389103088 /nfs/dbraw/zinc/10/30/88/1389103088.db2.gz DRVZKFQDUFJLEJ-UHFFFAOYSA-N 0 0 326.440 3.375 10 10 EGCERN CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC001334057766 1390469251 /nfs/dbraw/zinc/46/92/51/1390469251.db2.gz WNMDKFUALYMGJX-NQHOJNORSA-N 0 0 344.377 3.399 10 10 EGCERN CSc1cccnc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001346204861 1390915112 /nfs/dbraw/zinc/91/51/12/1390915112.db2.gz FALCXGUDFIMTCM-UHFFFAOYSA-N 0 0 346.475 3.307 10 10 EGCERN CCCN(CC)c1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001347540792 1391090095 /nfs/dbraw/zinc/09/00/95/1391090095.db2.gz BLLKLOJIKMCOBX-UHFFFAOYSA-N 0 0 328.412 3.264 10 10 EGCERN CC(C)[C@@H](F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001350628729 1391494023 /nfs/dbraw/zinc/49/40/23/1391494023.db2.gz LRHXYYPJBWWEKN-MRXNPFEDSA-N 0 0 325.339 3.395 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccc(F)cn1 ZINC001351164766 1391606293 /nfs/dbraw/zinc/60/62/93/1391606293.db2.gz YBGVKHWUYMMMHB-UHFFFAOYSA-N 0 0 327.403 3.022 10 10 EGCERN COc1cc(C2(C(=O)NCc3ccc(N(C)C)cc3)CC2)ccc1C ZINC001352216576 1391773205 /nfs/dbraw/zinc/77/32/05/1391773205.db2.gz ZCDKSGIVSSJPDK-UHFFFAOYSA-N 0 0 338.451 3.418 10 10 EGCERN CO[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354113219 1392121055 /nfs/dbraw/zinc/12/10/55/1392121055.db2.gz ABPMTZSUOFNFCQ-FUHWJXTLSA-N 0 0 349.386 3.216 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cccc2ncccc12 ZINC001354371663 1392140802 /nfs/dbraw/zinc/14/08/02/1392140802.db2.gz QWXURDCTJGTFKC-UHFFFAOYSA-N 0 0 347.418 3.269 10 10 EGCERN CC[C@@H]1[C@@H](C)CCN1c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694803899 1406069336 /nfs/dbraw/zinc/06/93/36/1406069336.db2.gz WPGCLXFZUUIVAW-SUMWQHHRSA-N 0 0 345.466 3.465 10 10 EGCERN C[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001726606873 1427071370 /nfs/dbraw/zinc/07/13/70/1427071370.db2.gz HJHPSYOMZFIASG-CYBMUJFWSA-N 0 0 343.450 3.255 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC1CC(F)(F)C1 ZINC001727508329 1427106930 /nfs/dbraw/zinc/10/69/30/1427106930.db2.gz FXXYXRYKYAFWIT-UHFFFAOYSA-N 0 0 336.386 3.228 10 10 EGCERN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)OC ZINC001743567202 1439574143 /nfs/dbraw/zinc/57/41/43/1439574143.db2.gz OTNRLCDJYSSMKI-UONOGXRCSA-N 0 0 332.448 3.169 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCCOCCC(C)C ZINC001762515537 1441376003 /nfs/dbraw/zinc/37/60/03/1441376003.db2.gz ABRMLVNEKGKZRU-UHFFFAOYSA-N 0 0 346.475 3.381 10 10 EGCERN CC[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001763340887 1441383120 /nfs/dbraw/zinc/38/31/20/1441383120.db2.gz XTKCCTAKGSORDH-OAHLLOKOSA-N 0 0 345.466 3.466 10 10 EGCERN CSCCCn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001770597776 1441412611 /nfs/dbraw/zinc/41/26/11/1441412611.db2.gz USHJQPZMZKYBTH-UHFFFAOYSA-N 0 0 334.489 3.497 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1cc(C2CC2)nn1C(C)(C)C ZINC000053916387 214205041 /nfs/dbraw/zinc/20/50/41/214205041.db2.gz UEUWXKHWNFNPSJ-UHFFFAOYSA-N 0 0 327.428 3.493 10 10 EGCERN CN1CCCc2cc(/C=C\C(=O)Nc3nnc(C4CC4)s3)ccc21 ZINC000098055618 219075195 /nfs/dbraw/zinc/07/51/95/219075195.db2.gz AHWWOTSIZHQZBS-UITAMQMPSA-N 0 0 340.452 3.450 10 10 EGCERN O=C(Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000003897246 210087964 /nfs/dbraw/zinc/08/79/64/210087964.db2.gz CKTKNUCNKAXLJF-UHFFFAOYSA-N 0 0 344.322 3.387 10 10 biogenic EGCERN Nc1ccc(CCOc2ccccc2I)cc1 ZINC000035677427 213045372 /nfs/dbraw/zinc/04/53/72/213045372.db2.gz JDZXFOHKZOFFKY-UHFFFAOYSA-N 0 0 339.176 3.495 10 10 EGCERN Cc1noc(-c2cccs2)c1C(=O)NCCc1ccc(N)cc1 ZINC000022649777 212314474 /nfs/dbraw/zinc/31/44/74/212314474.db2.gz YGIRKSCWAQYQBS-UHFFFAOYSA-N 0 0 327.409 3.266 10 10 EGCERN CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000010056807 211145231 /nfs/dbraw/zinc/14/52/31/211145231.db2.gz NUWXIXRYCSZXID-UHFFFAOYSA-N 0 0 331.441 3.045 10 10 EGCERN O=C(/C=C/c1cscn1)NCc1ccc(N2CCSCC2)cc1 ZINC000050585052 132179422 /nfs/dbraw/zinc/17/94/22/132179422.db2.gz RLJVQAZNMBDIFR-ZZXKWVIFSA-N 0 0 345.493 3.026 10 10 EGCERN COC(=O)[C@H](C)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000034237264 277382020 /nfs/dbraw/zinc/38/20/20/277382020.db2.gz XJYSNKHZUSTDPK-XUKSPVKDSA-N 0 0 333.434 3.006 10 10 EGCERN COc1cccc(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c1O ZINC000528863418 313195883 /nfs/dbraw/zinc/19/58/83/313195883.db2.gz WHAFYVSRQJTXNM-HOTGVXAUSA-N 0 0 329.371 3.350 10 10 EGCERN CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)ccc1O ZINC000229549231 456129753 /nfs/dbraw/zinc/12/97/53/456129753.db2.gz OQRGPDDYLOUEDD-ONGXEEELSA-N 0 0 342.155 3.119 10 10 EGCERN Nc1ccc(CC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000237886490 455228894 /nfs/dbraw/zinc/22/88/94/455228894.db2.gz VCOSVRGEMPYSQM-UHFFFAOYSA-N 0 0 328.387 3.020 10 10 EGCERN CCCCC1(CO)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000002157181 452688222 /nfs/dbraw/zinc/68/82/22/452688222.db2.gz VCUPPSLLQJDTJC-UHFFFAOYSA-N 0 0 338.407 3.150 10 10 EGCERN O=C(C1[C@@H]2CCCC[C@H]12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000081959088 453919860 /nfs/dbraw/zinc/91/98/60/453919860.db2.gz PUVNWHDPEHVCBQ-VLFFPSDRSA-N 0 0 329.440 3.336 10 10 EGCERN Nc1ccc(OCC[N@H+](CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000071261343 454204253 /nfs/dbraw/zinc/20/42/53/454204253.db2.gz ACFLPEFSCJVQES-UHFFFAOYSA-N 0 0 328.412 3.015 10 10 EGCERN Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccccn1 ZINC000048272145 454466303 /nfs/dbraw/zinc/46/63/03/454466303.db2.gz NRZVBRLDCVDFGI-UHFFFAOYSA-N 0 0 339.420 3.098 10 10 EGCERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccc(N2CCCCC2)cc1 ZINC000164627698 454886009 /nfs/dbraw/zinc/88/60/09/454886009.db2.gz CWBZGWFQRQOEPS-YJBOKZPZSA-N 0 0 325.460 3.454 10 10 EGCERN C[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(N2CCCCC2)cc1 ZINC000164627448 454886348 /nfs/dbraw/zinc/88/63/48/454886348.db2.gz CWBZGWFQRQOEPS-MAUKXSAKSA-N 0 0 325.460 3.454 10 10 EGCERN Cc1cccc2c1OCC[C@H]2NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000191447925 455486069 /nfs/dbraw/zinc/48/60/69/455486069.db2.gz IRMPMIPEJQQZNW-PMGBHYCQSA-N 0 0 325.364 3.059 10 10 EGCERN CCOc1ccc(CN[C@@H]2CCS(=O)(=O)c3ccccc32)cc1C ZINC000170084509 454932420 /nfs/dbraw/zinc/93/24/20/454932420.db2.gz NYOYLGSJPAQVKC-QGZVFWFLSA-N 0 0 345.464 3.402 10 10 EGCERN Cc1nc([C@H](NCc2ccc3c(c2)CCO3)c2ccccc2F)no1 ZINC000114773889 454978194 /nfs/dbraw/zinc/97/81/94/454978194.db2.gz VGOYHFZDGZYDHX-GOSISDBHSA-N 0 0 339.370 3.331 10 10 EGCERN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000191565225 455498219 /nfs/dbraw/zinc/49/82/19/455498219.db2.gz DVOGWRXQCLOTEO-SNVBAGLBSA-N 0 0 338.404 3.058 10 10 EGCERN O=C(C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1)N1CCCCC1 ZINC000179590769 455060706 /nfs/dbraw/zinc/06/07/06/455060706.db2.gz UMKGHZWVNWLPDM-UHFFFAOYSA-N 0 0 336.863 3.270 10 10 EGCERN CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156505033 455126163 /nfs/dbraw/zinc/12/61/63/455126163.db2.gz BTHSFEFFSHAGSD-JOYOIKCWSA-N 0 0 341.242 3.346 10 10 EGCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H]3c3ccsc3)cc2N1 ZINC000129883427 455131625 /nfs/dbraw/zinc/13/16/25/455131625.db2.gz XONWSVXQDQTSGR-GFCCVEGCSA-N 0 0 345.380 3.329 10 10 EGCERN COc1ccc(O)c(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000180414593 455165757 /nfs/dbraw/zinc/16/57/57/455165757.db2.gz SJQWKSIEERKAKN-LJQANCHMSA-N 0 0 331.387 3.422 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1O ZINC000189511342 455210981 /nfs/dbraw/zinc/21/09/81/455210981.db2.gz HHVKWFPIVKSNNW-NSHDSACASA-N 0 0 346.406 3.026 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190198597 455287636 /nfs/dbraw/zinc/28/76/36/455287636.db2.gz DPPLGLHLXYRZAK-HGIXYHNESA-N 0 0 339.391 3.005 10 10 EGCERN Cc1ccccc1SCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183472630 455297313 /nfs/dbraw/zinc/29/73/13/455297313.db2.gz KUEOAKVIGFCGFJ-CYBMUJFWSA-N 0 0 331.437 3.246 10 10 EGCERN Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c(O)c1O ZINC000181894886 455396109 /nfs/dbraw/zinc/39/61/09/455396109.db2.gz MVTFVPRKKIHDLJ-UHFFFAOYSA-N 0 0 340.354 3.225 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000191334187 455477955 /nfs/dbraw/zinc/47/79/55/455477955.db2.gz AITOGKQEASENCD-UHFFFAOYSA-N 0 0 336.798 3.051 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)CCSC ZINC000175843224 455504578 /nfs/dbraw/zinc/50/45/78/455504578.db2.gz MLAOMRDXVILONR-UHFFFAOYSA-N 0 0 332.263 3.256 10 10 EGCERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC000182479169 455522387 /nfs/dbraw/zinc/52/23/87/455522387.db2.gz XKTCBQOFFMLNHB-ZFWWWQNUSA-N 0 0 341.407 3.433 10 10 EGCERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000182505445 455528049 /nfs/dbraw/zinc/52/80/49/455528049.db2.gz OWNVDRBCPZFEOG-WBMJQRKESA-N 0 0 345.370 3.148 10 10 EGCERN CCN(C)c1ccc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000247167312 455568207 /nfs/dbraw/zinc/56/82/07/455568207.db2.gz SKPWPLMZTTVAOV-LSDHHAIUSA-N 0 0 327.476 3.482 10 10 EGCERN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000186111183 455695576 /nfs/dbraw/zinc/69/55/76/455695576.db2.gz DRIRNRLVBGTWFV-NXEZZACHSA-N 0 0 346.258 3.153 10 10 EGCERN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000193022212 455735688 /nfs/dbraw/zinc/73/56/88/455735688.db2.gz DCADCNZHTNNAGE-NXEZZACHSA-N 0 0 346.258 3.153 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295046968 455836998 /nfs/dbraw/zinc/83/69/98/455836998.db2.gz FKBAGFJQOJYCFL-ZDUSSCGKSA-N 0 0 327.758 3.017 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000295406950 455848072 /nfs/dbraw/zinc/84/80/72/455848072.db2.gz RGMAVKFJCVJIJC-PWSUYJOCSA-N 0 0 327.705 3.072 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1COc2ccccc21 ZINC000194688040 455874284 /nfs/dbraw/zinc/87/42/84/455874284.db2.gz ALPSXQCPZCKCOQ-GOSISDBHSA-N 0 0 337.423 3.220 10 10 EGCERN CCc1noc(C)c1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296196445 455878143 /nfs/dbraw/zinc/87/81/43/455878143.db2.gz DFLXDJZNLILBKW-UHFFFAOYSA-N 0 0 342.443 3.145 10 10 EGCERN Cc1cccnc1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296468065 455946639 /nfs/dbraw/zinc/94/66/39/455946639.db2.gz WQEHPFZOCLHHGL-UHFFFAOYSA-N 0 0 338.455 3.032 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ncnn2C(C)C)cc1 ZINC000280835158 456062560 /nfs/dbraw/zinc/06/25/60/456062560.db2.gz UTNATGZLOOPJLE-UHFFFAOYSA-N 0 0 337.427 3.197 10 10 EGCERN CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287585744 456072466 /nfs/dbraw/zinc/07/24/66/456072466.db2.gz HRENQMNSSYXXOI-RNCFNFMXSA-N 0 0 329.231 3.420 10 10 EGCERN Cc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c(Cl)n1 ZINC000287587028 456073125 /nfs/dbraw/zinc/07/31/25/456073125.db2.gz FWMCBQNMPOANJA-UHFFFAOYSA-N 0 0 335.810 3.107 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)c1nccn(C(F)F)c1=O ZINC000288032199 456084778 /nfs/dbraw/zinc/08/47/78/456084778.db2.gz CVYCLVFWBMEILV-UHFFFAOYSA-N 0 0 348.397 3.265 10 10 EGCERN COC(=O)CCCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000188853795 456151844 /nfs/dbraw/zinc/15/18/44/456151844.db2.gz ZALQILZGDMQRSJ-UHFFFAOYSA-N 0 0 346.471 3.273 10 10 EGCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC4(CCCCC4)CC3)cc2N1 ZINC000301698222 456190314 /nfs/dbraw/zinc/19/03/14/456190314.db2.gz QXVTYICDISKBDX-UHFFFAOYSA-N 0 0 345.399 3.476 10 10 EGCERN COC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1OC ZINC000302484894 456347663 /nfs/dbraw/zinc/34/76/63/456347663.db2.gz RVOPTFDODKRVJO-LBPRGKRZSA-N 0 0 329.400 3.116 10 10 EGCERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000276697349 456554395 /nfs/dbraw/zinc/55/43/95/456554395.db2.gz AOBPXRCLYUJFKS-KBPBESRZSA-N 0 0 336.395 3.150 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000282974843 456679004 /nfs/dbraw/zinc/67/90/04/456679004.db2.gz PEBHSOPVASWSHH-INIZCTEOSA-N 0 0 342.443 3.125 10 10 EGCERN CC(C)Oc1nccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000359708215 457122913 /nfs/dbraw/zinc/12/29/13/457122913.db2.gz QVQWMADCCYFERB-UHFFFAOYSA-N 0 0 335.411 3.434 10 10 EGCERN CCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@@H]1CCOC1 ZINC000361186555 457635700 /nfs/dbraw/zinc/63/57/00/457635700.db2.gz GNCFXTKZOAFNAX-QGZVFWFLSA-N 0 0 344.455 3.156 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000374791046 457707711 /nfs/dbraw/zinc/70/77/11/457707711.db2.gz CZLWWBAVYIXIJX-QRBZPYHOSA-N 0 0 327.355 3.208 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)c(O)c1O ZINC000375404685 457916600 /nfs/dbraw/zinc/91/66/00/457916600.db2.gz PYARIVKMMHERNN-FQEVSTJZSA-N 0 0 339.391 3.068 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000527735464 459719142 /nfs/dbraw/zinc/71/91/42/459719142.db2.gz CQSCWLAHCMZCHI-GFCCVEGCSA-N 0 0 328.250 3.369 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccc(COC)o2)cc1F ZINC000731346310 575067155 /nfs/dbraw/zinc/06/71/55/575067155.db2.gz STIQFAIBUCMPOA-UHFFFAOYSA-N 0 0 334.391 3.341 10 10 EGCERN COc1ccc(OC)c(CN(C(=O)C2=CC(=O)CS2)C2CC2)c1 ZINC000731868660 575216696 /nfs/dbraw/zinc/21/66/96/575216696.db2.gz NYZQYISEMPFBGG-UHFFFAOYSA-N 0 0 333.409 3.276 10 10 EGCERN CCc1ccc(N(CC)C(=O)/C=C/c2cncc(C(=O)NC)c2)cc1 ZINC000731968242 575227667 /nfs/dbraw/zinc/22/76/67/575227667.db2.gz PNJKBNOKRDMCGN-DHZHZOJOSA-N 0 0 337.423 3.070 10 10 EGCERN CC[C@H](COC)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000738503214 576332470 /nfs/dbraw/zinc/33/24/70/576332470.db2.gz QPEROFXHEVLXEF-GOSISDBHSA-N 0 0 343.471 3.361 10 10 EGCERN CNC(=O)c1cncc(/C=C\C(=O)N2CCCCCc3ccccc32)c1 ZINC000742012368 576742258 /nfs/dbraw/zinc/74/22/58/576742258.db2.gz VSWTXTKISJAEDP-KHPPLWFESA-N 0 0 349.434 3.214 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2nccn2c1 ZINC000743171067 576802669 /nfs/dbraw/zinc/80/26/69/576802669.db2.gz PPOFQQCOLIXWHR-UHFFFAOYSA-N 0 0 336.395 3.240 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCCc2ccc3ccccc3n2)cc1 ZINC000744277799 576824513 /nfs/dbraw/zinc/82/45/13/576824513.db2.gz MXPKGDXVMRZBHN-UHFFFAOYSA-N 0 0 348.450 3.343 10 10 EGCERN COc1ccc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000092973996 1292904544 /nfs/dbraw/zinc/90/45/44/1292904544.db2.gz HXPGFPIQUCAMFZ-GOSISDBHSA-N 0 0 335.350 3.253 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2nc(C)cs2)c1 ZINC000103516455 1293008679 /nfs/dbraw/zinc/00/86/79/1293008679.db2.gz BHXSMDKWZGOSTO-GHMZBOCLSA-N 0 0 335.429 3.287 10 10 EGCERN O=C1C[C@H](c2ccccc2)[N@H+](Cc2c(O)cccc2Cl)CCN1 ZINC000121700692 1293384617 /nfs/dbraw/zinc/38/46/17/1293384617.db2.gz GCKWDPFUYSRKSW-MRXNPFEDSA-N 0 0 330.815 3.109 10 10 EGCERN O=C([C@H]1COc2ccc(Cl)cc2C1)N1Cc2cccc(O)c2C1 ZINC000871198305 1296269179 /nfs/dbraw/zinc/26/91/79/1296269179.db2.gz GUONJKKJABMDAS-CYBMUJFWSA-N 0 0 329.783 3.139 10 10 EGCERN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203728 1296271849 /nfs/dbraw/zinc/27/18/49/1296271849.db2.gz RFMKINXSHAIFMW-LRDDRELGSA-N 0 0 348.443 3.174 10 10 EGCERN O=C(C[C@@H]1C[C@H]1C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878780956 1300188955 /nfs/dbraw/zinc/18/89/55/1300188955.db2.gz PZGWOGBVWQTSTN-KSZLIROESA-N 0 0 329.440 3.336 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCCC12CC2 ZINC000868846481 1330359334 /nfs/dbraw/zinc/35/93/34/1330359334.db2.gz HZFGMTWPBLCGGB-CYBMUJFWSA-N 0 0 339.233 3.287 10 10 EGCERN COC(=O)c1cnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000893948328 1306141184 /nfs/dbraw/zinc/14/11/84/1306141184.db2.gz TWEXCZWKFMZNQX-UHFFFAOYSA-N 0 0 347.484 3.406 10 10 EGCERN CCCn1cc(NCc2c3cc(F)ccc3n(C)c2C(=O)OC)cn1 ZINC000894137092 1306239792 /nfs/dbraw/zinc/23/97/92/1306239792.db2.gz KJLYICQWCYSULK-UHFFFAOYSA-N 0 0 344.390 3.323 10 10 EGCERN CN(C)c1nccc2c1N(C(=O)/C=C\c1ccc(Cl)nc1)CCC2 ZINC000894157063 1306251817 /nfs/dbraw/zinc/25/18/17/1306251817.db2.gz UWLKGYUGSUZJKG-VURMDHGXSA-N 0 0 342.830 3.189 10 10 EGCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])O2 ZINC000895821686 1309536277 /nfs/dbraw/zinc/53/62/77/1309536277.db2.gz SKJWURHLCLRMMN-WYFUGZQLSA-N 0 0 343.826 3.247 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3ccc4[nH]cnc4c3F)ccc21 ZINC000895979817 1309625757 /nfs/dbraw/zinc/62/57/57/1309625757.db2.gz CICSRXRQBOEHLL-UHFFFAOYSA-N 0 0 338.386 3.014 10 10 EGCERN CC1(C)CO[C@@H](CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000896270076 1309778663 /nfs/dbraw/zinc/77/86/63/1309778663.db2.gz NQYKRNZFXDUGBL-SJORKVTESA-N 0 0 347.455 3.105 10 10 EGCERN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1[C@@H]1CCCO1 ZINC000897791760 1310468873 /nfs/dbraw/zinc/46/88/73/1310468873.db2.gz WHAWXPHMSHMCDJ-XJKSGUPXSA-N 0 0 347.436 3.342 10 10 EGCERN CCOC[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897956952 1310530178 /nfs/dbraw/zinc/53/01/78/1310530178.db2.gz JFWSXKNLPALICR-GFCCVEGCSA-N 0 0 335.425 3.344 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@]2(CC2(F)F)C1 ZINC000898296476 1310665358 /nfs/dbraw/zinc/66/53/58/1310665358.db2.gz JFPUFLCWWMWTAP-CQSZACIVSA-N 0 0 325.336 3.184 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000899172615 1310965370 /nfs/dbraw/zinc/96/53/70/1310965370.db2.gz DGHCQQQDJFJOHG-XQQFMLRXSA-N 0 0 347.436 3.078 10 10 EGCERN CN(C)c1ccc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000929403584 1328589093 /nfs/dbraw/zinc/58/90/93/1328589093.db2.gz HYMCAICWVGJUTD-UHFFFAOYSA-N 0 0 345.374 3.049 10 10 EGCERN C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000857875106 1328612142 /nfs/dbraw/zinc/61/21/42/1328612142.db2.gz GIKAJVKHPDHNIG-QLJPJBMISA-N 0 0 332.350 3.034 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857919981 1328625643 /nfs/dbraw/zinc/62/56/43/1328625643.db2.gz QMVKHCQGPUMNMU-HNNXBMFYSA-N 0 0 340.471 3.194 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000929534133 1328628749 /nfs/dbraw/zinc/62/87/49/1328628749.db2.gz ZWKNNNMHQZMIHC-SJORKVTESA-N 0 0 346.471 3.079 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(C=O)n(C)c1 ZINC000929539187 1328629623 /nfs/dbraw/zinc/62/96/23/1328629623.db2.gz CMOGLSDPURXPRS-UHFFFAOYSA-N 0 0 339.439 3.100 10 10 EGCERN CC[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858434757 1328761500 /nfs/dbraw/zinc/76/15/00/1328761500.db2.gz OREIUOAOVRDTQH-NEPJUHHUSA-N 0 0 344.242 3.207 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCC34CC4)C2)cc1 ZINC000858598405 1328807094 /nfs/dbraw/zinc/80/70/94/1328807094.db2.gz DWRVLXOAWLUMDX-HZPDHXFCSA-N 0 0 343.471 3.153 10 10 EGCERN Cn1nc2c(c1NC(=O)c1cc3cc(O)c(O)cc3s1)CCCC2 ZINC000913675194 1319094498 /nfs/dbraw/zinc/09/44/98/1319094498.db2.gz CUFMQNBTICYJME-UHFFFAOYSA-N 0 0 343.408 3.177 10 10 EGCERN O=C(C[C@H]1CC[C@@H](C2CC2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000930204847 1328810915 /nfs/dbraw/zinc/81/09/15/1328810915.db2.gz DEGXWWDVBOTPPR-MOPGFXCFSA-N 0 0 328.456 3.251 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3cccnc32)cc1F ZINC000915365690 1319475714 /nfs/dbraw/zinc/47/57/14/1319475714.db2.gz HCJHCALVQYXEGB-INIZCTEOSA-N 0 0 342.418 3.164 10 10 EGCERN Cc1cc(C(=O)Cn2nccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000918160794 1319924580 /nfs/dbraw/zinc/92/45/80/1319924580.db2.gz OYACEXBHEQUCLK-UHFFFAOYSA-N 0 0 342.330 3.221 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)C[C@@H]2CCCO2)c1 ZINC000859099540 1328923396 /nfs/dbraw/zinc/92/33/96/1328923396.db2.gz QSAIHRGAYJUIBM-IBGZPJMESA-N 0 0 340.423 3.158 10 10 EGCERN Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000920344319 1322166289 /nfs/dbraw/zinc/16/62/89/1322166289.db2.gz JXBVOIHYZXJPSK-INIZCTEOSA-N 0 0 340.471 3.318 10 10 EGCERN CCN(Cc1cnn(-c2ccccc2)n1)c1ccc(OC)c(OC)c1 ZINC000921061282 1322250577 /nfs/dbraw/zinc/25/05/77/1322250577.db2.gz ASDLZQKMVUCKDG-UHFFFAOYSA-N 0 0 338.411 3.311 10 10 EGCERN C[C@H](NC(=O)NCc1cnc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000922054324 1322445995 /nfs/dbraw/zinc/44/59/95/1322445995.db2.gz IKVSMTHDNNIFBX-JTQLQIEISA-N 0 0 338.864 3.423 10 10 EGCERN C[C@H](C(=O)NCc1cc(NC(=O)[C@@H](C)C2CC2)ccc1O)C1CC1 ZINC000923119250 1322695772 /nfs/dbraw/zinc/69/57/72/1322695772.db2.gz KRXKFXHXEMCHLK-RYUDHWBXSA-N 0 0 330.428 3.039 10 10 EGCERN CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000924705386 1323124291 /nfs/dbraw/zinc/12/42/91/1323124291.db2.gz BKIHHUWGZJRBFQ-CQSZACIVSA-N 0 0 345.516 3.010 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925089547 1323277118 /nfs/dbraw/zinc/27/71/18/1323277118.db2.gz KJJWOWRPNMCDDX-TUKIKUTGSA-N 0 0 348.830 3.389 10 10 EGCERN O=C(COC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc(O)c(O)c1 ZINC000859882631 1329105959 /nfs/dbraw/zinc/10/59/59/1329105959.db2.gz YAZFMEDULGGYQJ-GDBMZVCRSA-N 0 0 340.375 3.408 10 10 EGCERN Cc1cc(NC(=O)NCc2cc(C)ccc2O)nn1[C@@H](C)C1CC1 ZINC000860915981 1329369709 /nfs/dbraw/zinc/36/97/09/1329369709.db2.gz LIUATKUVGSNBNT-ZDUSSCGKSA-N 0 0 328.416 3.498 10 10 EGCERN C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000926963137 1327800487 /nfs/dbraw/zinc/80/04/87/1327800487.db2.gz MMPMBUNRUZBFMA-PELKAZGASA-N 0 0 326.309 3.204 10 10 EGCERN CC[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000926977970 1327805453 /nfs/dbraw/zinc/80/54/53/1327805453.db2.gz FDDHSKDPMXSIKM-ZANVPECISA-N 0 0 331.243 3.266 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCc2cccnc21 ZINC000927393389 1328002369 /nfs/dbraw/zinc/00/23/69/1328002369.db2.gz BZXJIDDTSSEOMC-AWEZNQCLSA-N 0 0 331.803 3.317 10 10 EGCERN COc1ccc(CNC(=O)N(C)Cc2ccccc2O)c(C)c1OC ZINC000927719744 1328118758 /nfs/dbraw/zinc/11/87/58/1328118758.db2.gz HLCRTLJFMMOEHR-UHFFFAOYSA-N 0 0 344.411 3.059 10 10 EGCERN COc1ccc2c(c1)[C@H](C(=O)NCc1c(O)cccc1F)CCC2 ZINC000928706655 1328403563 /nfs/dbraw/zinc/40/35/63/1328403563.db2.gz UGNIPEXAJRWBCO-CQSZACIVSA-N 0 0 329.371 3.276 10 10 EGCERN CC(C)[C@H](C(=O)NCc1ccc2cccnc2c1O)c1cccnc1 ZINC000862025938 1329455701 /nfs/dbraw/zinc/45/57/01/1329455701.db2.gz CDKMRRZFZDRTAI-KRWDZBQOSA-N 0 0 335.407 3.391 10 10 EGCERN CC[C@@H](C)n1ncc(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC000862026633 1329455761 /nfs/dbraw/zinc/45/57/61/1329455761.db2.gz VSNKXOCHFKVVLS-GFCCVEGCSA-N 0 0 338.411 3.346 10 10 EGCERN Cc1nc(CC(C)C)oc1C(=O)NCc1ccc2cccnc2c1O ZINC000862026529 1329455857 /nfs/dbraw/zinc/45/58/57/1329455857.db2.gz RGUASYKDOCQAKC-UHFFFAOYSA-N 0 0 339.395 3.365 10 10 EGCERN CC[C@H]1C[C@H](CC(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027118 1329455889 /nfs/dbraw/zinc/45/58/89/1329455889.db2.gz JRUBDRFLMLZNFG-CJNGLKHVSA-N 0 0 328.412 3.152 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(n1)CCCC2 ZINC000862027462 1329455957 /nfs/dbraw/zinc/45/59/57/1329455957.db2.gz SVDNSOSCEYTWIB-UHFFFAOYSA-N 0 0 333.391 3.144 10 10 EGCERN Cc1ncc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000862272334 1329472927 /nfs/dbraw/zinc/47/29/27/1329472927.db2.gz NFLMHFUOQWGMRZ-BETUJISGSA-N 0 0 333.407 3.026 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000862435206 1329486829 /nfs/dbraw/zinc/48/68/29/1329486829.db2.gz RHOUQCBSFCGIFN-GFCCVEGCSA-N 0 0 337.704 3.274 10 10 EGCERN COc1ccc(O)c(CNc2ccc3c(c2)[C@H](C)CC(=O)N3C)c1 ZINC000862536103 1329493501 /nfs/dbraw/zinc/49/35/01/1329493501.db2.gz DGDSIWPBFIPGQC-GFCCVEGCSA-N 0 0 326.396 3.483 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 ZINC000862759719 1329507544 /nfs/dbraw/zinc/50/75/44/1329507544.db2.gz JUVAUXGCBZPZKC-SUMWQHHRSA-N 0 0 338.407 3.225 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](CCF)C2)cc1 ZINC000863076981 1329527849 /nfs/dbraw/zinc/52/78/49/1329527849.db2.gz JDUWRPNNKIQQQT-SFHVURJKSA-N 0 0 330.403 3.295 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2ncc(OC)cc2F)cc1 ZINC000864636458 1329632823 /nfs/dbraw/zinc/63/28/23/1329632823.db2.gz KVMLPZWCQBUAEM-UHFFFAOYSA-N 0 0 345.418 3.348 10 10 EGCERN COc1ccc(N2CCCN(C(=O)C3(C(F)F)CCC3)CC2)cc1 ZINC000864948915 1329654676 /nfs/dbraw/zinc/65/46/76/1329654676.db2.gz CTQSEEKAQBZKFJ-UHFFFAOYSA-N 0 0 338.398 3.169 10 10 EGCERN CN(CCCNC(=S)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000865258118 1329680587 /nfs/dbraw/zinc/68/05/87/1329680587.db2.gz AIANPOUVIYYWLG-UHFFFAOYSA-N 0 0 341.480 3.109 10 10 EGCERN CCCN(CCC)c1ccc(CNc2nnc(CCO)s2)cc1 ZINC000865294260 1329684284 /nfs/dbraw/zinc/68/42/84/1329684284.db2.gz KOXAVUZQJQGUHZ-UHFFFAOYSA-N 0 0 334.489 3.311 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCCSCCC(F)(F)F)cc1 ZINC000866142116 1330069925 /nfs/dbraw/zinc/06/99/25/1330069925.db2.gz QOMPRAGRBVAUTF-UHFFFAOYSA-N 0 0 349.422 3.237 10 10 EGCERN C[C@@H]1C[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)[C@@H](C)O1 ZINC000866595961 1330130956 /nfs/dbraw/zinc/13/09/56/1330130956.db2.gz YIUWJICBANVBKW-CPUCHLNUSA-N 0 0 329.396 3.328 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2C(=O)CC3)c1 ZINC000866765610 1330147707 /nfs/dbraw/zinc/14/77/07/1330147707.db2.gz XJRVNVRUDPMULB-NSHDSACASA-N 0 0 325.364 3.021 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000867302508 1330192536 /nfs/dbraw/zinc/19/25/36/1330192536.db2.gz QDPTUKLKUJETSH-BMIGLBTASA-N 0 0 331.799 3.138 10 10 EGCERN COc1ccccc1C1(CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868186908 1330260102 /nfs/dbraw/zinc/26/01/02/1330260102.db2.gz VVUMYEJONPTNLG-AWEZNQCLSA-N 0 0 340.423 3.493 10 10 EGCERN CCCCn1cc(CNC(=O)N[C@@H](C)c2ccccc2O)c(C)n1 ZINC000868474513 1330283840 /nfs/dbraw/zinc/28/38/40/1330283840.db2.gz JSVPFMDARGVGAJ-AWEZNQCLSA-N 0 0 330.432 3.258 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccnc(F)c1 ZINC000868711541 1330322205 /nfs/dbraw/zinc/32/22/05/1330322205.db2.gz SHMSOTKWYTWCML-AWEZNQCLSA-N 0 0 344.434 3.026 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCCC34CC4)C2)cc1 ZINC000868720080 1330323329 /nfs/dbraw/zinc/32/33/29/1330323329.db2.gz GXBKVWNUCXMSFY-MAUKXSAKSA-N 0 0 343.471 3.153 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001118741238 1371219542 /nfs/dbraw/zinc/21/95/42/1371219542.db2.gz UVZZCYJRSYJORZ-GIFSMMMISA-N 0 0 325.355 3.259 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCC[C@@H](F)C1 ZINC001326299052 1388145370 /nfs/dbraw/zinc/14/53/70/1388145370.db2.gz MOSSGSTYCGFJGH-NEPJUHHUSA-N 0 0 345.212 3.235 10 10 EGCERN COC[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC001123641311 1372536092 /nfs/dbraw/zinc/53/60/92/1372536092.db2.gz DSKYEGKJFSAIST-INIZCTEOSA-N 0 0 332.375 3.060 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@](O)(C(F)F)C2)c(C)n1-c1cccc(C)c1 ZINC001326589436 1388250685 /nfs/dbraw/zinc/25/06/85/1388250685.db2.gz HVAFIWDSYZKKSA-IBGZPJMESA-N 0 0 348.393 3.245 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](F)Cc2ccccc2)cc1 ZINC001130745069 1373587555 /nfs/dbraw/zinc/58/75/55/1373587555.db2.gz PCGZFFXTJZWJJS-IBGZPJMESA-N 0 0 344.430 3.171 10 10 EGCERN CCCCCCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001130826902 1373596294 /nfs/dbraw/zinc/59/62/94/1373596294.db2.gz MNRTTXGECCIOFZ-IRXDYDNUSA-N 0 0 348.487 3.376 10 10 EGCERN Cc1nc2ccc(O)cc2cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001135825049 1377222781 /nfs/dbraw/zinc/22/27/81/1377222781.db2.gz CTPCKFJVSKSOIR-UHFFFAOYSA-N 0 0 335.407 3.245 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1c2nc[nH]c2ccc1F ZINC001136190497 1377362675 /nfs/dbraw/zinc/36/26/75/1377362675.db2.gz HAJQNRGZYOCBLF-UHFFFAOYSA-N 0 0 338.386 3.232 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Cc2ccc(O)cc2C)cc1 ZINC001136300308 1377374178 /nfs/dbraw/zinc/37/41/78/1377374178.db2.gz LTNWAXQHNCKZHU-UHFFFAOYSA-N 0 0 326.440 3.406 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccccc2)ccn1 ZINC001137464894 1377552096 /nfs/dbraw/zinc/55/20/96/1377552096.db2.gz UZRPAPCMXPXULO-UHFFFAOYSA-N 0 0 334.375 3.132 10 10 EGCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 ZINC001138096756 1377676523 /nfs/dbraw/zinc/67/65/23/1377676523.db2.gz UJCKQDIAGANJGO-ZDUSSCGKSA-N 0 0 325.408 3.397 10 10 EGCERN O=C(Nc1cccnc1OCc1ccccc1)c1cccc(O)c1O ZINC001141853821 1378385657 /nfs/dbraw/zinc/38/56/57/1378385657.db2.gz BUVNGENQKVMCSG-UHFFFAOYSA-N 0 0 336.347 3.324 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C1(Cc2ccc(O)cc2)CC1 ZINC001142731293 1378482669 /nfs/dbraw/zinc/48/26/69/1378482669.db2.gz RYTDVOKJPMRKQD-UHFFFAOYSA-N 0 0 348.402 3.285 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Oc2ccccc2)cn1 ZINC001144157186 1378689529 /nfs/dbraw/zinc/68/95/29/1378689529.db2.gz XIJCMTZCQVMLQP-UHFFFAOYSA-N 0 0 336.347 3.466 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2[nH]cnc2c1F ZINC001146195795 1378793612 /nfs/dbraw/zinc/79/36/12/1378793612.db2.gz DLURNNZGLKYZJG-UHFFFAOYSA-N 0 0 326.375 3.006 10 10 EGCERN CC[C@H](COC)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001147751576 1379072163 /nfs/dbraw/zinc/07/21/63/1379072163.db2.gz CBXVNNGUCOBCFD-MRXNPFEDSA-N 0 0 328.412 3.061 10 10 EGCERN C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1O ZINC001151891910 1379811614 /nfs/dbraw/zinc/81/16/14/1379811614.db2.gz DUMSUWLIPSQJMI-LBPRGKRZSA-N 0 0 339.351 3.133 10 10 EGCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1cc[nH]n1 ZINC001152396319 1379925662 /nfs/dbraw/zinc/92/56/62/1379925662.db2.gz WIUZBGIDMJNNOW-OAHLLOKOSA-N 0 0 335.407 3.448 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCOc3c(F)cccc32)cc1 ZINC001154419106 1380274654 /nfs/dbraw/zinc/27/46/54/1380274654.db2.gz KLVGOXKGVCREMF-AWEZNQCLSA-N 0 0 342.330 3.242 10 10 EGCERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(O)cccc1F ZINC001156178300 1380537025 /nfs/dbraw/zinc/53/70/25/1380537025.db2.gz ZINFAMJZHWWZJZ-UHFFFAOYSA-N 0 0 336.344 3.091 10 10 EGCERN C[S@](=O)(=NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCCC1 ZINC001156288271 1380552854 /nfs/dbraw/zinc/55/28/54/1380552854.db2.gz PKYMLVYJNMRXAB-HSZRJFAPSA-N 0 0 336.417 3.420 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1c2nc[nH]c2ccc1F ZINC001157050761 1380762348 /nfs/dbraw/zinc/76/23/48/1380762348.db2.gz LEMITZCCRRFKHA-UHFFFAOYSA-N 0 0 335.338 3.491 10 10 EGCERN COC1(C(=O)NCCCSc2nccs2)CCCCCC1 ZINC001292997880 1382243345 /nfs/dbraw/zinc/24/33/45/1382243345.db2.gz UCLFTFPDWOBYTL-UHFFFAOYSA-N 0 0 328.503 3.481 10 10 EGCERN O=C(CSc1nccc2ccccc21)NCc1ccc(O)cc1O ZINC001162279233 1382719284 /nfs/dbraw/zinc/71/92/84/1382719284.db2.gz WOXZMTCYKIWLMS-UHFFFAOYSA-N 0 0 340.404 3.055 10 10 EGCERN C[C@@H](CSC(F)(F)F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001296247741 1382935562 /nfs/dbraw/zinc/93/55/62/1382935562.db2.gz XCHZEDMLSMEHMN-IUCAKERBSA-N 0 0 337.363 3.034 10 10 EGCERN CC[C@H](CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C)C(=O)OC ZINC001163189862 1382988459 /nfs/dbraw/zinc/98/84/59/1382988459.db2.gz QIXIWGFUQJYPLV-MRXNPFEDSA-N 0 0 342.439 3.332 10 10 EGCERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296796191 1383065509 /nfs/dbraw/zinc/06/55/09/1383065509.db2.gz URAJBPDGLOXHSP-GJZGRUSLSA-N 0 0 332.404 3.173 10 10 EGCERN CNc1ccccc1C(=O)NCc1cccc(Br)c1O ZINC001297441097 1383162165 /nfs/dbraw/zinc/16/21/65/1383162165.db2.gz SOAFOXATPHPLQV-UHFFFAOYSA-N 0 0 335.201 3.126 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC001297789213 1383244845 /nfs/dbraw/zinc/24/48/45/1383244845.db2.gz KCGMPHWBHDPBQW-UHFFFAOYSA-N 0 0 347.361 3.325 10 10 EGCERN CC[C@H](OCCNC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC001165261284 1383260875 /nfs/dbraw/zinc/26/08/75/1383260875.db2.gz PBCOERNSLLVCCP-INIZCTEOSA-N 0 0 329.396 3.304 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1cccc2c1CC(=O)CC2 ZINC001165508653 1383305423 /nfs/dbraw/zinc/30/54/23/1383305423.db2.gz SFSOEMMJJXBSSD-UHFFFAOYSA-N 0 0 329.783 3.033 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1Cc1ccco1 ZINC001298364620 1383397295 /nfs/dbraw/zinc/39/72/95/1383397295.db2.gz DOLWOKQSSUDOQC-UHFFFAOYSA-N 0 0 338.411 3.214 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)C1=NO[C@@H](c2ccccc2)C1 ZINC001300401886 1383663086 /nfs/dbraw/zinc/66/30/86/1383663086.db2.gz UHBFQHQJHLHBHA-MRXNPFEDSA-N 0 0 330.771 3.179 10 10 EGCERN Cc1cc(CC(=O)N2CC[C@H](C)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC001167671057 1383706555 /nfs/dbraw/zinc/70/65/55/1383706555.db2.gz KRUBERCMCPDBIA-KXBFYZLASA-N 0 0 340.467 3.114 10 10 EGCERN Cc1cc(CNC(=O)COc2ccsn2)c(C)n1-c1ccccc1 ZINC001302268331 1383746710 /nfs/dbraw/zinc/74/67/10/1383746710.db2.gz ZHTQNOXGOCXQIP-UHFFFAOYSA-N 0 0 341.436 3.246 10 10 EGCERN Cc1cc(C(=O)N2C[C@@H](O)CC(C)(C)C2)c(C)n1-c1ccc(F)cc1 ZINC001302518100 1383756202 /nfs/dbraw/zinc/75/62/02/1383756202.db2.gz VJBAXAYAFQZSHY-KRWDZBQOSA-N 0 0 344.430 3.466 10 10 EGCERN Cc1cc(C(=O)N2C[C@H](O)CC(C)(C)C2)c(C)n1-c1ccc(F)cc1 ZINC001302518101 1383756411 /nfs/dbraw/zinc/75/64/11/1383756411.db2.gz VJBAXAYAFQZSHY-QGZVFWFLSA-N 0 0 344.430 3.466 10 10 EGCERN Cc1ccc(Br)c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001303225190 1383788546 /nfs/dbraw/zinc/78/85/46/1383788546.db2.gz AVCQZYKDYNKAQK-UHFFFAOYSA-N 0 0 336.185 3.099 10 10 EGCERN COc1ccc2cc(C(=O)NCc3c(O)cccc3O)sc2c1 ZINC001304053368 1383825323 /nfs/dbraw/zinc/82/53/23/1383825323.db2.gz JDDKSCQTBPJKBC-UHFFFAOYSA-N 0 0 329.377 3.251 10 10 EGCERN CNc1ccc(C(F)(F)F)cc1C(=O)NCc1c(O)cccc1O ZINC001304053910 1383826108 /nfs/dbraw/zinc/82/61/08/1383826108.db2.gz VUVUDDMNTIWEDH-UHFFFAOYSA-N 0 0 340.301 3.088 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1c(O)cnc2ccc(Cl)cc21 ZINC001306899264 1383916487 /nfs/dbraw/zinc/91/64/87/1383916487.db2.gz XLMFHVNDJIWJDX-UHFFFAOYSA-N 0 0 346.745 3.369 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[C@@H]1CC1(F)F ZINC001313051170 1384390200 /nfs/dbraw/zinc/39/02/00/1384390200.db2.gz JDJFJMMBZWFURV-OAHLLOKOSA-N 0 0 337.414 3.474 10 10 EGCERN Cc1cc(CNC(=O)N(C)[C@@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC001313133194 1384398912 /nfs/dbraw/zinc/39/89/12/1384398912.db2.gz SIVWUTIXWGQYMQ-HNNXBMFYSA-N 0 0 343.471 3.315 10 10 EGCERN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC001313287589 1384407040 /nfs/dbraw/zinc/40/70/40/1384407040.db2.gz URDLXGLJWKMKHD-NSHDSACASA-N 0 0 327.340 3.087 10 10 EGCERN COC(=O)C1=C(C)O[C@H](CN(C)c2ccc(-c3nccs3)cc2)C1 ZINC001170990729 1384425779 /nfs/dbraw/zinc/42/57/79/1384425779.db2.gz ORNWKAQTARFDMY-HNNXBMFYSA-N 0 0 344.436 3.482 10 10 EGCERN COc1ccc(N(C)Cc2nc(Cc3ccc(F)cc3)no2)cc1 ZINC001171746116 1384624272 /nfs/dbraw/zinc/62/42/72/1384624272.db2.gz NGTQTBHEPZZXOM-UHFFFAOYSA-N 0 0 327.359 3.445 10 10 EGCERN O=C(Cc1coc2c1ccc(F)c2F)NCc1c(O)cccc1F ZINC001178413265 1386210487 /nfs/dbraw/zinc/21/04/87/1386210487.db2.gz PNNLGEMGDKBABL-UHFFFAOYSA-N 0 0 335.281 3.415 10 10 EGCERN Cc1ncccc1/C=C\C(=O)N1CCCc2c3ncn(C)c3ccc21 ZINC001181223072 1386963158 /nfs/dbraw/zinc/96/31/58/1386963158.db2.gz LPCYSTJGQROGHH-YFHOEESVSA-N 0 0 332.407 3.269 10 10 EGCERN O=C([O-])C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC001322234720 1387113511 /nfs/dbraw/zinc/11/35/11/1387113511.db2.gz UQSOTBSCNLCFPK-LJQANCHMSA-N 0 0 346.471 3.036 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001329570101 1389160136 /nfs/dbraw/zinc/16/01/36/1389160136.db2.gz DTNQLTCISJEELA-FRJFDASCSA-N 0 0 325.355 3.263 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001335295101 1390668968 /nfs/dbraw/zinc/66/89/68/1390668968.db2.gz CYPINEFWUXAPKN-KWCYVHTRSA-N 0 0 332.350 3.238 10 10 EGCERN CC(C)(C)OCc1ccccc1C(=O)NCc1cccc(O)c1O ZINC001347543252 1391090269 /nfs/dbraw/zinc/09/02/69/1391090269.db2.gz ZGYOIXKRPJGQSI-UHFFFAOYSA-N 0 0 329.396 3.343 10 10 EGCERN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(O)c1O ZINC001349080053 1391301544 /nfs/dbraw/zinc/30/15/44/1391301544.db2.gz YDKWIXUOWXQHKN-QGZVFWFLSA-N 0 0 349.814 3.471 10 10 EGCERN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 ZINC001349789407 1391367496 /nfs/dbraw/zinc/36/74/96/1391367496.db2.gz APSPEHFTSLEMHZ-AWEZNQCLSA-N 0 0 332.404 3.126 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@@]12CCOC2 ZINC001351004455 1391579001 /nfs/dbraw/zinc/57/90/01/1391579001.db2.gz GLYVGSZLVFWWQZ-KRWDZBQOSA-N 0 0 333.409 3.098 10 10 EGCERN Cc1cc(O)ccc1CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001352291386 1391780780 /nfs/dbraw/zinc/78/07/80/1391780780.db2.gz CMPDNAMSWZGOSJ-MRXNPFEDSA-N 0 0 340.467 3.365 10 10 EGCERN CC(C)(C)c1ncc(/C=C/C(=O)NCc2cccc(O)c2O)s1 ZINC001352658583 1391830014 /nfs/dbraw/zinc/83/00/14/1391830014.db2.gz WDDSENWUNGWACG-BQYQJAHWSA-N 0 0 332.425 3.181 10 10 EGCERN Cc1cc(C(=O)NC2(c3ncon3)CC2)c(C)n1-c1cccc(C)c1 ZINC001353133522 1391941029 /nfs/dbraw/zinc/94/10/29/1391941029.db2.gz SOTRTZZAEGMFEB-UHFFFAOYSA-N 0 0 336.395 3.205 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)cc1 ZINC001479329257 1392216608 /nfs/dbraw/zinc/21/66/08/1392216608.db2.gz ZIKCNDVZOIUVCO-OHQAAIJDSA-N 0 0 345.487 3.065 10 10 EGCERN COc1ccc(CNC(=O)N[C@@H]2CCCc3ccccc3C2)c(O)c1 ZINC001479469076 1392250321 /nfs/dbraw/zinc/25/03/21/1392250321.db2.gz PTZNUROUHMNODA-QGZVFWFLSA-N 0 0 340.423 3.148 10 10 EGCERN C=CCN(C)c1nnc(C(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001705833461 1417137832 /nfs/dbraw/zinc/13/78/32/1417137832.db2.gz HRLYHJXEDBOTBM-UHFFFAOYSA-N 0 0 327.476 3.446 10 10 EGCERN Cc1nnc(N2CC=C(C)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001707697618 1417381612 /nfs/dbraw/zinc/38/16/12/1417381612.db2.gz YKFVLSYRIBYTKU-UHFFFAOYSA-N 0 0 325.460 3.166 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001724237217 1424747833 /nfs/dbraw/zinc/74/78/33/1424747833.db2.gz YFRLDWBFUNUGNQ-HIFRSBDPSA-N 0 0 327.476 3.244 10 10 EGCERN C[C@@H]1C[C@H]1n1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001726490957 1427064449 /nfs/dbraw/zinc/06/44/49/1427064449.db2.gz SUCHYFMNJKINRM-VNQPRFMTSA-N 0 0 342.443 3.095 10 10 EGCERN COCCCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001749723601 1440102359 /nfs/dbraw/zinc/10/23/59/1440102359.db2.gz DLEQLJWJHVIRRJ-UHFFFAOYSA-N 0 0 344.459 3.314 10 10 EGCERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1C[C@H]1C ZINC001762514731 1441375954 /nfs/dbraw/zinc/37/59/54/1441375954.db2.gz WBGODTMGGKSWMC-CRAIPNDOSA-N 0 0 339.487 3.479 10 10 EGCERN Cc1nnc(N(C)Cc2ccoc2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001762517862 1441376018 /nfs/dbraw/zinc/37/60/18/1441376018.db2.gz QROUHQUNKVMGBW-UHFFFAOYSA-N 0 0 343.406 3.069 10 10 EGCERN COc1cc(/C=C/c2ccc3ccc(C=O)c(O)c3n2)cc(O)c1O ZINC000066347694 215034610 /nfs/dbraw/zinc/03/46/10/215034610.db2.gz FESVWPFJUBUQAT-QHHAFSJGSA-N 0 0 337.331 3.343 10 10 EGCERN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc2c(c1)OCO2 ZINC000003298608 210000490 /nfs/dbraw/zinc/00/04/90/210000490.db2.gz DSPUUXVNYHJXTN-DHDCSXOGSA-N 0 0 330.409 3.308 10 10 EGCERN COc1ccc2c(c1)CCCN2[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000009220630 135686226 /nfs/dbraw/zinc/68/62/26/135686226.db2.gz MOQVKLCQOPCDLH-CYBMUJFWSA-N 0 0 335.407 3.446 10 10 EGCERN Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(N)cc1 ZINC000001017786 452641221 /nfs/dbraw/zinc/64/12/21/452641221.db2.gz IKZNGMCVEWMUAH-UHFFFAOYSA-N 0 0 330.185 3.039 10 10 EGCERN C[C@H](COCc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000173339555 455268964 /nfs/dbraw/zinc/26/89/64/455268964.db2.gz KUQCJVIEUZBAKY-OAHLLOKOSA-N 0 0 328.412 3.139 10 10 EGCERN CN(C)c1ccc(C[N@@H+]2Cc3cc(Cl)ccc3C[C@H]2C(=O)[O-])cc1 ZINC000008699749 453222483 /nfs/dbraw/zinc/22/24/83/453222483.db2.gz DMZAGJQVRLTDMY-SFHVURJKSA-N 0 0 344.842 3.418 10 10 EGCERN Cc1cc(C(=O)NCc2nnc3ccccn32)c(C)n1-c1ccccc1 ZINC000012543338 453368985 /nfs/dbraw/zinc/36/89/85/453368985.db2.gz CEWLQUHKDOJODL-UHFFFAOYSA-N 0 0 345.406 3.067 10 10 EGCERN CC(C)=CCCc1c(O)c(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000014491139 453537391 /nfs/dbraw/zinc/53/73/91/453537391.db2.gz RPCORGWURISLFX-UHFFFAOYSA-N 0 0 338.359 3.478 10 10 EGCERN CC[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)C ZINC000066382867 453841045 /nfs/dbraw/zinc/84/10/45/453841045.db2.gz QVAKKGZROJAVNJ-LJQANCHMSA-N 0 0 347.503 3.129 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1nncs1 ZINC000040525241 453951630 /nfs/dbraw/zinc/95/16/30/453951630.db2.gz MKDDQQBIDJUWDS-UHFFFAOYSA-N 0 0 331.445 3.192 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1F ZINC000084732715 454007728 /nfs/dbraw/zinc/00/77/28/454007728.db2.gz OUQSQPKRMQHXQF-UHFFFAOYSA-N 0 0 329.375 3.188 10 10 EGCERN O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1c1cccnc1 ZINC000072274390 454280668 /nfs/dbraw/zinc/28/06/68/454280668.db2.gz UIHKNJYHMWDDLR-RIYZIHGNSA-N 0 0 338.417 3.135 10 10 EGCERN C[C@H]1CN(c2ccc(CNC(=O)N(C)C3CCC3)cc2F)C[C@H](C)O1 ZINC000073772866 454481365 /nfs/dbraw/zinc/48/13/65/454481365.db2.gz ZTKQOMDQXVSHEX-KBPBESRZSA-N 0 0 349.450 3.133 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000109080790 454820168 /nfs/dbraw/zinc/82/01/68/454820168.db2.gz YORSOFRXCVHZOS-HZPDHXFCSA-N 0 0 330.378 3.451 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3coc4ccccc34)CC2)cc1 ZINC000113012017 454911162 /nfs/dbraw/zinc/91/11/62/454911162.db2.gz CECDAXFDIGWWCU-UHFFFAOYSA-N 0 0 336.391 3.404 10 10 EGCERN CCOc1ccc(CN[C@H]2CCS(=O)(=O)c3ccccc32)cc1C ZINC000170084511 454931988 /nfs/dbraw/zinc/93/19/88/454931988.db2.gz NYOYLGSJPAQVKC-KRWDZBQOSA-N 0 0 345.464 3.402 10 10 EGCERN COc1cccc(CN[C@H](c2noc(C)n2)c2ccccc2F)c1O ZINC000114773462 454978259 /nfs/dbraw/zinc/97/82/59/454978259.db2.gz WSRVVFOFWYMSCE-INIZCTEOSA-N 0 0 343.358 3.111 10 10 EGCERN C[C@@H](C1CC1)n1nccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000156409046 455114717 /nfs/dbraw/zinc/11/47/17/455114717.db2.gz RBMQAVMCVNIGMG-LBPRGKRZSA-N 0 0 345.422 3.381 10 10 EGCERN [O-]c1c(Cl)cccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000180031180 455119302 /nfs/dbraw/zinc/11/93/02/455119302.db2.gz BRNXMOHLMMTIQY-UHFFFAOYSA-N 0 0 337.876 3.210 10 10 EGCERN COc1cc(Cl)cc(CN2CCc3c(nc(C(C)C)n3C)C2)c1O ZINC000184691237 455429328 /nfs/dbraw/zinc/42/93/28/455429328.db2.gz PGDMGOXRPGTJQP-UHFFFAOYSA-N 0 0 349.862 3.469 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCOC[C@H]1C ZINC000277666054 455629389 /nfs/dbraw/zinc/62/93/89/455629389.db2.gz MBMSJDHLKFYDJN-QAPCUYQASA-N 0 0 333.476 3.098 10 10 EGCERN CN(c1ccc(CNC(=O)Cc2ccnn2C)cc1)C1CCCCC1 ZINC000278034183 455740014 /nfs/dbraw/zinc/74/00/14/455740014.db2.gz RTVNNLHUEOJEEP-UHFFFAOYSA-N 0 0 340.471 3.048 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1F ZINC000251907446 455799380 /nfs/dbraw/zinc/79/93/80/455799380.db2.gz RKVIPBWYSLBVMK-LESCRADOSA-N 0 0 349.450 3.039 10 10 EGCERN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000252467596 455806142 /nfs/dbraw/zinc/80/61/42/455806142.db2.gz UYQQXWVMVYWDFN-LALPHHSUSA-N 0 0 342.361 3.184 10 10 EGCERN CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1[O-] ZINC000285494293 455857200 /nfs/dbraw/zinc/85/72/00/455857200.db2.gz CFMWDKZBGLKVOK-ZBFHGGJFSA-N 0 0 330.407 3.031 10 10 EGCERN CC1(C)CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000279113312 455857861 /nfs/dbraw/zinc/85/78/61/455857861.db2.gz XCXZBSNVXSOSOZ-SFHVURJKSA-N 0 0 330.472 3.356 10 10 EGCERN CCOc1ccc(O)c(CNc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000187480433 455915763 /nfs/dbraw/zinc/91/57/63/455915763.db2.gz BDOICHICSQQNKH-UHFFFAOYSA-N 0 0 327.384 3.380 10 10 EGCERN Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)sc2nccn12 ZINC000270837468 456050390 /nfs/dbraw/zinc/05/03/90/456050390.db2.gz UHKWYWMVEFIIGQ-UHFFFAOYSA-N 0 0 341.436 3.219 10 10 EGCERN CC[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cccc(Cl)c1[O-] ZINC000286967540 456058177 /nfs/dbraw/zinc/05/81/77/456058177.db2.gz IFFUJIULKWOPIN-TUKIKUTGSA-N 0 0 329.868 3.244 10 10 EGCERN CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(F)cc1[O-] ZINC000287355651 456067565 /nfs/dbraw/zinc/06/75/65/456067565.db2.gz HAYFPXAKLQEWRH-QGZVFWFLSA-N 0 0 345.418 3.004 10 10 EGCERN CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224893816 456070938 /nfs/dbraw/zinc/07/09/38/456070938.db2.gz MLQTVHQDZGCNPM-UHFFFAOYSA-N 0 0 328.840 3.439 10 10 EGCERN CN(Cc1cccc(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301610838 456161152 /nfs/dbraw/zinc/16/11/52/456161152.db2.gz QWXJFBHCAPYUPX-UHFFFAOYSA-N 0 0 347.758 3.216 10 10 EGCERN CCOc1ccc(O)c(CNC2(c3noc(C)n3)CCCCC2)c1 ZINC000263657110 456183475 /nfs/dbraw/zinc/18/34/75/456183475.db2.gz GDQGJROANWGBSV-UHFFFAOYSA-N 0 0 331.416 3.432 10 10 EGCERN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000301949490 456256925 /nfs/dbraw/zinc/25/69/25/456256925.db2.gz YVJXZGXCVOBTED-CQSZACIVSA-N 0 0 338.423 3.411 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000281955570 456371781 /nfs/dbraw/zinc/37/17/81/456371781.db2.gz UAARHUYUGNGDBW-VIFPVBQESA-N 0 0 334.294 3.391 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3ccoc3C3CC3)CC2)cc1F ZINC000282551256 456549893 /nfs/dbraw/zinc/54/98/93/456549893.db2.gz ARDIXLMEWAYRJU-UHFFFAOYSA-N 0 0 344.386 3.267 10 10 EGCERN O=C(c1cccc(O)c1O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000366151778 457795789 /nfs/dbraw/zinc/79/57/89/457795789.db2.gz NLLLPGTWFCSIRO-UHFFFAOYSA-N 0 0 330.771 3.076 10 10 EGCERN COc1cc(Cl)cc(CNc2cn(C)nc2-c2ccccn2)c1O ZINC000372943855 458354829 /nfs/dbraw/zinc/35/48/29/458354829.db2.gz HUHYVBUVFPBTPS-UHFFFAOYSA-N 0 0 344.802 3.462 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000527803229 459741902 /nfs/dbraw/zinc/74/19/02/459741902.db2.gz DLQYLIZVKCDSLK-RMIALFOJSA-N 0 0 328.250 3.365 10 10 EGCERN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c(C)n1[C@H]1CCOC1 ZINC000529512485 459829900 /nfs/dbraw/zinc/82/99/00/459829900.db2.gz OPWAXMBJFRKISJ-HNNXBMFYSA-N 0 0 348.830 3.355 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000728950336 574789479 /nfs/dbraw/zinc/78/94/79/574789479.db2.gz LDOLGSGBEULOSE-AFAVFJNCSA-N 0 0 326.396 3.317 10 10 EGCERN Cc1ccc(C(=O)C2CCN(C(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000731869742 575213850 /nfs/dbraw/zinc/21/38/50/575213850.db2.gz DOKWVXLONLPQOI-UHFFFAOYSA-N 0 0 329.421 3.497 10 10 EGCERN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)C1=CC(=O)CS1 ZINC000732282518 575254643 /nfs/dbraw/zinc/25/46/43/575254643.db2.gz IBUKTRVJVCCKPP-UHFFFAOYSA-N 0 0 326.381 3.369 10 10 EGCERN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)N1CCSc2ccccc21 ZINC000732353958 575261744 /nfs/dbraw/zinc/26/17/44/575261744.db2.gz XFZGCPRJRRYWKX-JTQLQIEISA-N 0 0 349.433 3.138 10 10 EGCERN Cc1cc(F)ccc1S(=O)(=O)NCCCSc1nccs1 ZINC000733899834 575407549 /nfs/dbraw/zinc/40/75/49/575407549.db2.gz PGZIHFQOIYDZGL-UHFFFAOYSA-N 0 0 346.474 3.051 10 10 EGCERN CO[C@H](C)CN(C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000741079067 576653464 /nfs/dbraw/zinc/65/34/64/576653464.db2.gz YDXGGANYJNKVRB-MRXNPFEDSA-N 0 0 333.476 3.242 10 10 EGCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCCCc3ccccc32)c1 ZINC000742012370 576742215 /nfs/dbraw/zinc/74/22/15/576742215.db2.gz VSWTXTKISJAEDP-ZHACJKMWSA-N 0 0 349.434 3.214 10 10 EGCERN COc1ccc(NC(=S)NNc2cccc(F)c2F)cc1F ZINC000743005545 576799545 /nfs/dbraw/zinc/79/95/45/576799545.db2.gz UEPVQMGUFDYPPV-UHFFFAOYSA-N 0 0 327.331 3.426 10 10 EGCERN COC[C@H](C)NC(=S)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000015156235 1291147910 /nfs/dbraw/zinc/14/79/10/1291147910.db2.gz FZHQBKXLQQWWME-AWEZNQCLSA-N 0 0 345.512 3.136 10 10 EGCERN COc1ccc(N2CCN(C(=O)/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000033343645 1291385901 /nfs/dbraw/zinc/38/59/01/1291385901.db2.gz ROWUXVNFTBBAIN-WCIBSUBMSA-N 0 0 340.398 3.196 10 10 EGCERN O=C(/C=C\c1cnn(-c2ccccc2)c1)N1CCOc2ccccc21 ZINC000097073589 1292957801 /nfs/dbraw/zinc/95/78/01/1292957801.db2.gz WQZFEEMTXJUFIN-KHPPLWFESA-N 0 0 331.375 3.311 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2nc(C)cs2)c1 ZINC000103516456 1293008542 /nfs/dbraw/zinc/00/85/42/1293008542.db2.gz BHXSMDKWZGOSTO-MNOVXSKESA-N 0 0 335.429 3.287 10 10 EGCERN C[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000112043820 1293116184 /nfs/dbraw/zinc/11/61/84/1293116184.db2.gz RQMYLDLXABVAPJ-KRWDZBQOSA-N 0 0 338.451 3.018 10 10 EGCERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199279 1296268478 /nfs/dbraw/zinc/26/84/78/1296268478.db2.gz VAJIWKPKMQEASU-WBMJQRKESA-N 0 0 336.391 3.143 10 10 EGCERN CC[C@@](O)(C(=O)N1Cc2cccc(O)c2C1)c1cccc(Cl)c1 ZINC000871205148 1296271092 /nfs/dbraw/zinc/27/10/92/1296271092.db2.gz OZYXVXFSSNASMP-SFHVURJKSA-N 0 0 331.799 3.186 10 10 EGCERN CCN(CC(=O)N1Cc2cccc(O)c2C1)Cc1ccccc1Cl ZINC000871204767 1296271876 /nfs/dbraw/zinc/27/18/76/1296271876.db2.gz KERMILIDIZSJLK-UHFFFAOYSA-N 0 0 344.842 3.410 10 10 EGCERN C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872110221 1296736567 /nfs/dbraw/zinc/73/65/67/1296736567.db2.gz FKBLKSVJDWJRQC-SSDOTTSWSA-N 0 0 344.236 3.123 10 10 EGCERN CC[NH+](CC)[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715761822 1298286228 /nfs/dbraw/zinc/28/62/28/1298286228.db2.gz UVVVSULCULYXSE-ZDUSSCGKSA-N 0 0 345.256 3.210 10 10 EGCERN O=c1sc2c(cccc2F)n1Cc1ccc(N2CCOCC2)cc1 ZINC000877882861 1299619025 /nfs/dbraw/zinc/61/90/25/1299619025.db2.gz CFJPOOMWCZDCGK-UHFFFAOYSA-N 0 0 344.411 3.087 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000880056811 1300904602 /nfs/dbraw/zinc/90/46/02/1300904602.db2.gz KVRJXUKUMFLEAL-OTYXRUKQSA-N 0 0 349.324 3.276 10 10 EGCERN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000880750328 1301255723 /nfs/dbraw/zinc/25/57/23/1301255723.db2.gz JYHIICUEZKVWQO-LAUBAEHRSA-N 0 0 344.499 3.480 10 10 EGCERN O=C1CCC[C@H](c2cccc(NCc3cc4c(cc3O)OCO4)c2)N1 ZINC000886374900 1303452338 /nfs/dbraw/zinc/45/23/38/1303452338.db2.gz QCHDSOINRSVHIB-OAHLLOKOSA-N 0 0 340.379 3.074 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@]12CCCO2 ZINC000890111529 1304677917 /nfs/dbraw/zinc/67/79/17/1304677917.db2.gz BWOQGVUGVBDYTL-MJGOQNOKSA-N 0 0 332.444 3.416 10 10 EGCERN Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1cccc(Cl)c1O ZINC000893064671 1305686706 /nfs/dbraw/zinc/68/67/06/1305686706.db2.gz FGKRIHQLWHLGTG-OAHLLOKOSA-N 0 0 346.818 3.021 10 10 EGCERN COC(=O)c1c(CN(C)Cc2ccns2)c2cc(F)ccc2n1C ZINC000895452554 1309345940 /nfs/dbraw/zinc/34/59/40/1309345940.db2.gz YHGBPSLRZKKMFW-UHFFFAOYSA-N 0 0 347.415 3.193 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721812 1309489564 /nfs/dbraw/zinc/48/95/64/1309489564.db2.gz KFMREKANKIGFGH-ZDUSSCGKSA-N 0 0 346.254 3.062 10 10 EGCERN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896853390 1310053876 /nfs/dbraw/zinc/05/38/76/1310053876.db2.gz MQKPCCSYKWQNSF-APPDUMDISA-N 0 0 349.452 3.494 10 10 EGCERN CCC1(O)CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897300330 1310279706 /nfs/dbraw/zinc/27/97/06/1310279706.db2.gz HDKAVRLFJSZITD-UHFFFAOYSA-N 0 0 335.425 3.126 10 10 EGCERN CCOC1CC(CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897532148 1310366016 /nfs/dbraw/zinc/36/60/16/1310366016.db2.gz GPDNHOGFNPNNRW-UHFFFAOYSA-N 0 0 335.425 3.248 10 10 EGCERN CO[C@]1(C)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897623386 1310413630 /nfs/dbraw/zinc/41/36/30/1310413630.db2.gz OQCOPVOWDRWMST-QGZVFWFLSA-N 0 0 335.425 3.344 10 10 EGCERN O=C(Nc1cc2n(n1)CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897749919 1310455599 /nfs/dbraw/zinc/45/55/99/1310455599.db2.gz BTSKPJIBOBQQCH-UHFFFAOYSA-N 0 0 329.381 3.098 10 10 EGCERN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)OCC1CC1 ZINC000897974265 1310535604 /nfs/dbraw/zinc/53/56/04/1310535604.db2.gz RTJAOPWHCHEXFQ-UHFFFAOYSA-N 0 0 335.425 3.248 10 10 EGCERN CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](CC)O1 ZINC000897995446 1310546609 /nfs/dbraw/zinc/54/66/09/1310546609.db2.gz FLJPJMRNPQMKLH-TXEJJXNPSA-N 0 0 335.425 3.342 10 10 EGCERN C[C@@H](NC(=O)C[C@H]1CCc2sccc2C1=O)c1ccccc1O ZINC000899182368 1310969975 /nfs/dbraw/zinc/96/99/75/1310969975.db2.gz YPGSAHOGKMKCEA-VXGBXAGGSA-N 0 0 329.421 3.466 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857939792 1328635260 /nfs/dbraw/zinc/63/52/60/1328635260.db2.gz QOUJVGVMKAQMSK-AWEZNQCLSA-N 0 0 327.428 3.223 10 10 EGCERN C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2F)C[C@@H](C)O1 ZINC000858100465 1328681897 /nfs/dbraw/zinc/68/18/97/1328681897.db2.gz HSNDSQKSKAWVBQ-ZIAGYGMSSA-N 0 0 347.409 3.263 10 10 EGCERN C[C@@H](O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1F ZINC000858185799 1328706685 /nfs/dbraw/zinc/70/66/85/1328706685.db2.gz YLEQVVDUGUNXJB-ADLMAVQZSA-N 0 0 338.373 3.382 10 10 EGCERN CN(C)c1ccc(CNS(=O)(=O)c2cscc2C(F)F)cc1 ZINC000913862240 1319153359 /nfs/dbraw/zinc/15/33/59/1319153359.db2.gz DPBGPKQWDDGGLG-UHFFFAOYSA-N 0 0 346.424 3.230 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000858826292 1328869124 /nfs/dbraw/zinc/86/91/24/1328869124.db2.gz GNHVAIDYTJZPAF-GOEBONIOSA-N 0 0 339.277 3.275 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[C@@H](OC)C2)cc1 ZINC000859011494 1328907581 /nfs/dbraw/zinc/90/75/81/1328907581.db2.gz ZNYYGOLJUSZLMH-MAEOIBBWSA-N 0 0 333.476 3.099 10 10 EGCERN O=C(NCCCSc1nccs1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000921447330 1322317409 /nfs/dbraw/zinc/31/74/09/1322317409.db2.gz FUNSBMLIRVIGGX-DTWKUNHWSA-N 0 0 339.408 3.123 10 10 EGCERN O=C(c1cccc(O)c1O)N1CCCSC[C@@H]1c1ccccc1 ZINC000921643288 1322369072 /nfs/dbraw/zinc/36/90/72/1322369072.db2.gz MDTYVXANBUXACC-OAHLLOKOSA-N 0 0 329.421 3.418 10 10 EGCERN FC(F)COc1ccccc1NCc1nc(Br)c[nH]1 ZINC000921851587 1322412590 /nfs/dbraw/zinc/41/25/90/1322412590.db2.gz ZSQCCSGYMXAECF-UHFFFAOYSA-N 0 0 332.148 3.428 10 10 EGCERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC000922009039 1322439045 /nfs/dbraw/zinc/43/90/45/1322439045.db2.gz MTYBGPKUIMWAKP-LLVKDONJSA-N 0 0 348.422 3.352 10 10 EGCERN CN(C)c1ccc(/C=C\CNCc2cn(C)nc2Br)cc1 ZINC000922468319 1322534581 /nfs/dbraw/zinc/53/45/81/1322534581.db2.gz STEQEEHSRICCOP-PLNGDYQASA-N 0 0 349.276 3.052 10 10 EGCERN CCO[C@@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000859632291 1329040067 /nfs/dbraw/zinc/04/00/67/1329040067.db2.gz IFULEIDPISYAAJ-INIZCTEOSA-N 0 0 346.452 3.288 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000923007606 1322672703 /nfs/dbraw/zinc/67/27/03/1322672703.db2.gz RETHGFXVKRSEAS-QGGXVJLZSA-N 0 0 335.806 3.367 10 10 EGCERN CN1CCCc2cc(CNC(=O)[C@]34CCO[C@H]3CCCC4)ccc21 ZINC000931152789 1329061850 /nfs/dbraw/zinc/06/18/50/1329061850.db2.gz ZGYIXVQYSLIXRN-AZUAARDMSA-N 0 0 328.456 3.035 10 10 EGCERN C[C@H](NC(=O)NCc1nccc2c1CCCC2)c1ccccc1O ZINC000924547196 1323050377 /nfs/dbraw/zinc/05/03/77/1323050377.db2.gz OHCZZNZLWWBXHO-ZDUSSCGKSA-N 0 0 325.412 3.226 10 10 EGCERN CCN(CC)c1ccc(CN[C@@H](C)c2nn(CC)nc2C)cc1F ZINC000925013717 1323245392 /nfs/dbraw/zinc/24/53/92/1323245392.db2.gz MMHCYKHAMOCAPN-ZDUSSCGKSA-N 0 0 333.455 3.443 10 10 EGCERN Cc1ccc(C(=O)N2CCCC[C@H]2CC2(O)CCCCC2)c(O)c1O ZINC000925047134 1323255280 /nfs/dbraw/zinc/25/52/80/1323255280.db2.gz VCYLGHWMKOIIEO-HNNXBMFYSA-N 0 0 347.455 3.486 10 10 EGCERN O=C(Nc1ncc(C2CCOCC2)s1)N1Cc2cccc(O)c2C1 ZINC000931629222 1329156701 /nfs/dbraw/zinc/15/67/01/1329156701.db2.gz NZDPBKKFPCGABB-UHFFFAOYSA-N 0 0 345.424 3.290 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCC=CCC1 ZINC000925147975 1325065960 /nfs/dbraw/zinc/06/59/60/1325065960.db2.gz FTPVYSBZBGKYCS-UHFFFAOYSA-N 0 0 334.803 3.309 10 10 EGCERN COc1ccc([C@H](C)NC(=O)NCc2c(O)cccc2F)cc1C ZINC000926268610 1325498420 /nfs/dbraw/zinc/49/84/20/1325498420.db2.gz QCDGDXPWZSVYEY-LBPRGKRZSA-N 0 0 332.375 3.409 10 10 EGCERN Cc1ccccc1CO[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000860693892 1329345138 /nfs/dbraw/zinc/34/51/38/1329345138.db2.gz HAMHCPGLAZULQM-LSDHHAIUSA-N 0 0 343.423 3.059 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000927071236 1327842102 /nfs/dbraw/zinc/84/21/02/1327842102.db2.gz XMXBGYSEYHEYDO-XLWVJDPXSA-N 0 0 333.428 3.035 10 10 EGCERN C[C@H](NC(=O)NC[C@@]1(c2ccccc2)CCCO1)c1ccccc1O ZINC000927681049 1328103085 /nfs/dbraw/zinc/10/30/85/1328103085.db2.gz SHXBSNKYHCVVDK-MGPUTAFESA-N 0 0 340.423 3.458 10 10 EGCERN COc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)c(C)c1OC ZINC000927729354 1328121646 /nfs/dbraw/zinc/12/16/46/1328121646.db2.gz SSJJSWDOJWUAGQ-CYBMUJFWSA-N 0 0 344.411 3.278 10 10 EGCERN CO[C@@H](C(=O)NCc1ccc2cccnc2c1O)C1CCCCC1 ZINC000862025069 1329455660 /nfs/dbraw/zinc/45/56/60/1329455660.db2.gz MKXNJFUIJFAJFZ-GOSISDBHSA-N 0 0 328.412 3.152 10 10 EGCERN CC(C)(C)c1nnc(C(=O)NCc2ccc3cccnc3c2O)s1 ZINC000862025916 1329455780 /nfs/dbraw/zinc/45/57/80/1329455780.db2.gz CCNOWZZPBQEQMV-UHFFFAOYSA-N 0 0 342.424 3.019 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C12CC(C(F)(F)F)(C1)C2 ZINC000862027361 1329456050 /nfs/dbraw/zinc/45/60/50/1329456050.db2.gz PEXHVYYGDXMDHN-UHFFFAOYSA-N 0 0 336.313 3.289 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2coc(C(F)F)c2)cc1 ZINC000862129268 1329460704 /nfs/dbraw/zinc/46/07/04/1329460704.db2.gz OBUMQJPBZQDRJY-UHFFFAOYSA-N 0 0 338.354 3.434 10 10 EGCERN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000862528595 1329492192 /nfs/dbraw/zinc/49/21/92/1329492192.db2.gz BRMPHLIRNPFYIK-XJKSGUPXSA-N 0 0 340.261 3.058 10 10 EGCERN Cc1nc(COC(C)(C)C)oc1C(=O)NCc1cc(C)ccc1O ZINC000862754642 1329506588 /nfs/dbraw/zinc/50/65/88/1329506588.db2.gz HXPLMRJYMVCLBT-UHFFFAOYSA-N 0 0 332.400 3.242 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863241256 1329538309 /nfs/dbraw/zinc/53/83/09/1329538309.db2.gz GSMWEFKACFXXEM-XGBZFPQESA-N 0 0 335.403 3.373 10 10 EGCERN Cc1ccccc1[C@@H]1C(=O)NCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000863949294 1329590961 /nfs/dbraw/zinc/59/09/61/1329590961.db2.gz CTTVMLQWPDDFAX-RFFSMVSESA-N 0 0 349.478 3.247 10 10 EGCERN COc1ccc(N2CC[C@@H](CNc3ccc([C@H](C)O)cn3)C2)cc1 ZINC000865888688 1329749281 /nfs/dbraw/zinc/74/92/81/1329749281.db2.gz TUPVCAVFJSERIM-GJZGRUSLSA-N 0 0 327.428 3.082 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000866202938 1330078193 /nfs/dbraw/zinc/07/81/93/1330078193.db2.gz FVHURKSKNXAGMC-SFHVURJKSA-N 0 0 344.455 3.217 10 10 EGCERN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cccc(C(F)(F)F)c1[O-] ZINC000866447290 1330113604 /nfs/dbraw/zinc/11/36/04/1330113604.db2.gz YWJNISDJTAUNPY-XTFPRXRYSA-N 0 0 327.346 3.485 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@]34C[C@H]3CCCC4)CC2)cc1F ZINC000866459685 1330115062 /nfs/dbraw/zinc/11/50/62/1330115062.db2.gz NEACFFHGSFWTNW-AUUYWEPGSA-N 0 0 332.419 3.063 10 10 EGCERN Cc1cc(N)cc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000868192679 1330260737 /nfs/dbraw/zinc/26/07/37/1330260737.db2.gz FRGCBYLMFGIYHQ-UHFFFAOYSA-N 0 0 325.412 3.483 10 10 EGCERN CCCOc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000868224612 1330263118 /nfs/dbraw/zinc/26/31/18/1330263118.db2.gz JEELAFRZDUNFKU-ZDUSSCGKSA-N 0 0 329.400 3.136 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C1([C@H]2CCCCO2)CCC1 ZINC000868937658 1330378210 /nfs/dbraw/zinc/37/82/10/1330378210.db2.gz LZPLGLTXNGOTHW-MRXNPFEDSA-N 0 0 340.423 3.296 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)c1cc(F)ncn1 ZINC001185736129 1387786527 /nfs/dbraw/zinc/78/65/27/1387786527.db2.gz PYTGIRPFPUEBKD-UHFFFAOYSA-N 0 0 326.169 3.110 10 10 EGCERN CCOC(=O)/C=C/C[N@H+](CC)Cc1cc(Br)ccc1O ZINC001191269811 1367463920 /nfs/dbraw/zinc/46/39/20/1367463920.db2.gz XDIVRURYARWXNG-AATRIKPKSA-N 0 0 342.233 3.096 10 10 EGCERN COc1ccc2c(c1)C[C@H](C(C)C)CN2CC(=O)NCC1CCC1 ZINC001195324285 1368421023 /nfs/dbraw/zinc/42/10/23/1368421023.db2.gz NYYQQQNSOPFMKP-KRWDZBQOSA-N 0 0 330.472 3.246 10 10 EGCERN CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)ccc21 ZINC001118532855 1371194220 /nfs/dbraw/zinc/19/42/20/1371194220.db2.gz YUXKWWIAEJPRDH-OWCLPIDISA-N 0 0 349.425 3.302 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001124031777 1372661263 /nfs/dbraw/zinc/66/12/63/1372661263.db2.gz RRISROHUAZLITR-IUODEOHRSA-N 0 0 347.436 3.486 10 10 EGCERN CCc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cnn1CC ZINC001124835819 1372734260 /nfs/dbraw/zinc/73/42/60/1372734260.db2.gz NTHLARVEPCEHJI-UHFFFAOYSA-N 0 0 340.471 3.336 10 10 EGCERN Cc1cc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)no1 ZINC001126864543 1373042840 /nfs/dbraw/zinc/04/28/40/1373042840.db2.gz WCIRTOPTCRHPFO-UHFFFAOYSA-N 0 0 347.378 3.264 10 10 EGCERN C[C@H](NC(=O)c1ncnc2sccc21)c1ccc(N(C)C)cc1 ZINC001128242642 1373240409 /nfs/dbraw/zinc/24/04/09/1373240409.db2.gz YXRJCPQMBHGDKY-NSHDSACASA-N 0 0 326.425 3.248 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)[C@@H](C)OC)CCCC1 ZINC001129364902 1373375367 /nfs/dbraw/zinc/37/53/67/1373375367.db2.gz FYQGAJUFUXHLBX-ZIAGYGMSSA-N 0 0 344.455 3.068 10 10 EGCERN CC[C@H](C)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032149 1375107434 /nfs/dbraw/zinc/10/74/34/1375107434.db2.gz LZAVVAQIHNTJBN-GJZGRUSLSA-N 0 0 334.460 3.035 10 10 EGCERN Cn1cc(-c2ccccc2CNC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC001233517817 1376660115 /nfs/dbraw/zinc/66/01/15/1376660115.db2.gz BBRAQPGQLQAOHE-UHFFFAOYSA-N 0 0 348.406 3.018 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[C@H]1CCCOC1 ZINC001233593638 1376677769 /nfs/dbraw/zinc/67/77/69/1376677769.db2.gz DTPYXYNUDPGOMX-GOSISDBHSA-N 0 0 345.487 3.245 10 10 EGCERN Cc1cc(C(=O)NCCCSc2nccs2)c(N)cc1F ZINC001136661854 1377413863 /nfs/dbraw/zinc/41/38/63/1377413863.db2.gz RQOPWCFMXOTVNB-UHFFFAOYSA-N 0 0 325.434 3.085 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)cc(F)c2N)c1 ZINC001137473156 1377553983 /nfs/dbraw/zinc/55/39/83/1377553983.db2.gz AMVOYKIFWOFGIK-QMMMGPOBSA-N 0 0 338.766 3.267 10 10 EGCERN Cc1ccc(-n2cc(NC(=O)c3ccc(C)c(O)c3O)cn2)c(C)c1 ZINC001138285273 1377697451 /nfs/dbraw/zinc/69/74/51/1377697451.db2.gz AYZIMOJCZXEMFV-UHFFFAOYSA-N 0 0 337.379 3.461 10 10 EGCERN CS(C)(=O)=Nc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001141575794 1378345769 /nfs/dbraw/zinc/34/57/69/1378345769.db2.gz ONIVFLWJURFLRC-ONNFQVAWSA-N 0 0 346.408 3.109 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[nH]c3[nH]c(=O)ccc23)cc1 ZINC001141593270 1378348108 /nfs/dbraw/zinc/34/81/08/1378348108.db2.gz DPRJRROXXVYNBV-UHFFFAOYSA-N 0 0 347.378 3.323 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cc(F)ccc1O ZINC001142416823 1378440980 /nfs/dbraw/zinc/44/09/80/1378440980.db2.gz IBJGFFLLBCHEFI-UHFFFAOYSA-N 0 0 330.403 3.189 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C(F)(F)c1ccccc1 ZINC001142727795 1378481569 /nfs/dbraw/zinc/48/15/69/1378481569.db2.gz FRSZCPPDINXFRB-UHFFFAOYSA-N 0 0 328.318 3.349 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C1=NO[C@H](c2ccccc2)C1 ZINC001142727638 1378481745 /nfs/dbraw/zinc/48/17/45/1378481745.db2.gz CBTDTSWQALFFLA-KRWDZBQOSA-N 0 0 347.374 3.074 10 10 EGCERN Cc1ccc(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)c(O)c1O ZINC001142860517 1378497611 /nfs/dbraw/zinc/49/76/11/1378497611.db2.gz FPPYYVNIVJMCMC-CYBMUJFWSA-N 0 0 337.379 3.464 10 10 EGCERN CO[C@]1(C)C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001147881596 1379097166 /nfs/dbraw/zinc/09/71/66/1379097166.db2.gz MZZYFXGMDJKVOK-RHSMWYFYSA-N 0 0 335.425 3.246 10 10 EGCERN Cc1cnn(-c2ccc(C)cc2NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001151390173 1379710039 /nfs/dbraw/zinc/71/00/39/1379710039.db2.gz LWCZIUJHNSDVKL-UHFFFAOYSA-N 0 0 337.379 3.082 10 10 EGCERN COc1ccc(CNC(=O)c2ccnc(Cl)c2Cl)c(O)c1 ZINC001155574372 1380470055 /nfs/dbraw/zinc/47/00/55/1380470055.db2.gz IBUOPZQYDNIRRW-UHFFFAOYSA-N 0 0 327.167 3.033 10 10 EGCERN C[C@@H](COCC1CCCCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001156148464 1380531116 /nfs/dbraw/zinc/53/11/16/1380531116.db2.gz SNFNSTMRPOQFDQ-GDAGCXPBSA-N 0 0 333.428 3.213 10 10 EGCERN O=C(NCc1c(O)cccc1F)[C@H]1COc2ccc(Cl)cc2C1 ZINC001156164126 1380534431 /nfs/dbraw/zinc/53/44/31/1380534431.db2.gz NSSXOEQJGCPJKT-LLVKDONJSA-N 0 0 335.762 3.052 10 10 EGCERN COC(C)(C)[C@@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001156344485 1380562462 /nfs/dbraw/zinc/56/24/62/1380562462.db2.gz LUXOIUVVZJDBQX-OAHLLOKOSA-N 0 0 342.439 3.450 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)c1ncon1 ZINC001156599130 1380598421 /nfs/dbraw/zinc/59/84/21/1380598421.db2.gz XCMPIJUMGKKLLW-SNVBAGLBSA-N 0 0 330.413 3.072 10 10 EGCERN Cc1ccc(-c2nc(C(=O)NCc3c(O)cccc3O)cs2)o1 ZINC001156880917 1380716271 /nfs/dbraw/zinc/71/62/71/1380716271.db2.gz HECXRAHZALMZSP-UHFFFAOYSA-N 0 0 330.365 3.053 10 10 EGCERN CC1(C)C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)O1 ZINC001156912541 1380724628 /nfs/dbraw/zinc/72/46/28/1380724628.db2.gz YONIRZCUECFTHB-LBPRGKRZSA-N 0 0 332.404 3.173 10 10 EGCERN COC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001159297519 1381756480 /nfs/dbraw/zinc/75/64/80/1381756480.db2.gz CAQBLECYZVNVTQ-NSHDSACASA-N 0 0 348.830 3.429 10 10 EGCERN O=C(Nc1ccc2n[nH]cc2c1)c1cc2cc(O)c(O)cc2s1 ZINC001290603153 1382100722 /nfs/dbraw/zinc/10/07/22/1382100722.db2.gz GLHDQLKZXZZEMI-UHFFFAOYSA-N 0 0 325.349 3.441 10 10 EGCERN C[C@@]1(CNC(=O)c2c(F)ccc(O)c2O)CCCc2ccccc21 ZINC001161108282 1382299784 /nfs/dbraw/zinc/29/97/84/1382299784.db2.gz MVLQQOABOVHNKD-IBGZPJMESA-N 0 0 329.371 3.261 10 10 EGCERN CCC(C)(C)CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001295590399 1382735219 /nfs/dbraw/zinc/73/52/19/1382735219.db2.gz HMKQUPPRCHNBHC-UHFFFAOYSA-N 0 0 341.835 3.374 10 10 EGCERN Cc1ccc(C(=O)Nc2cccc(N=S(C)(C)=O)c2)c(O)c1O ZINC001299206466 1383486031 /nfs/dbraw/zinc/48/60/31/1383486031.db2.gz OIDVOZASMXQBNI-UHFFFAOYSA-N 0 0 334.397 3.018 10 10 EGCERN Cc1cccc(O[C@@H](C)C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001299721898 1383622952 /nfs/dbraw/zinc/62/29/52/1383622952.db2.gz UVVDPEZWTHARMJ-AWEZNQCLSA-N 0 0 336.391 3.333 10 10 EGCERN C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)C(=O)c1ccccc1 ZINC001299721930 1383623411 /nfs/dbraw/zinc/62/34/11/1383623411.db2.gz WIQDOPCXOAPVCF-AWEZNQCLSA-N 0 0 348.402 3.466 10 10 EGCERN Cc1cc(C(=O)N[C@@](C)(CO)c2ccccc2)c(C)n1-c1ccccn1 ZINC001300110758 1383644895 /nfs/dbraw/zinc/64/48/95/1383644895.db2.gz NFWSDNRCFBXLRR-NRFANRHFSA-N 0 0 349.434 3.127 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccccc1F)CC1CC1 ZINC001301005416 1383689964 /nfs/dbraw/zinc/68/99/64/1383689964.db2.gz DUUVNGGMSVDPOE-UHFFFAOYSA-N 0 0 329.371 3.218 10 10 EGCERN COC(=O)[C@H]1CCN1C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001304093719 1383829839 /nfs/dbraw/zinc/82/98/39/1383829839.db2.gz FVOPHJILYJBQLC-GOSISDBHSA-N 0 0 340.423 3.098 10 10 EGCERN COC(=O)C1=C(C)O[C@@H](CN2CCCCc3cc(OC)ccc32)C1 ZINC001168244516 1383852854 /nfs/dbraw/zinc/85/28/54/1383852854.db2.gz OTOBUGAEMSQPIV-MRXNPFEDSA-N 0 0 331.412 3.074 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](OC)[C@H](C)CC ZINC001306080592 1383872195 /nfs/dbraw/zinc/87/21/95/1383872195.db2.gz NRLSKUZEIHYDKH-RHSMWYFYSA-N 0 0 346.475 3.244 10 10 EGCERN CC1(C)[C@@H](O)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307103555 1383940753 /nfs/dbraw/zinc/94/07/53/1383940753.db2.gz LACZLBAMKTXCRB-IRXDYDNUSA-N 0 0 340.379 3.397 10 10 EGCERN Cc1cc(CCNc2c([N+](=O)[O-])cnn2C)c(C)n1-c1ccccc1 ZINC001307179106 1383950826 /nfs/dbraw/zinc/95/08/26/1383950826.db2.gz OBNXJZIZESXJNZ-UHFFFAOYSA-N 0 0 339.399 3.390 10 10 EGCERN C[C@@H]1CN(c2ccc(CNC(=O)C3(C)CC=CC3)cc2F)C[C@H](C)O1 ZINC001335926085 1388969204 /nfs/dbraw/zinc/96/92/04/1388969204.db2.gz VYWUQBQMWZUVRZ-GASCZTMLSA-N 0 0 346.446 3.412 10 10 EGCERN Cc1ccc(-c2cc(C(=O)NCc3c(O)cccc3F)[nH]n2)cc1C ZINC001178412848 1386209886 /nfs/dbraw/zinc/20/98/86/1386209886.db2.gz IFCIHVOMGDXHPV-UHFFFAOYSA-N 0 0 339.370 3.468 10 10 EGCERN CCOc1c(Cl)cccc1CC(=O)NCc1c(O)cccc1O ZINC001178912403 1386346744 /nfs/dbraw/zinc/34/67/44/1386346744.db2.gz SSDWXAACNAXFCV-UHFFFAOYSA-N 0 0 335.787 3.009 10 10 EGCERN CC(C)(C)OC(=O)NCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001179028736 1386381613 /nfs/dbraw/zinc/38/16/13/1386381613.db2.gz CKJSSEPBUHBABU-UHFFFAOYSA-N 0 0 344.411 3.076 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)c1 ZINC001320822557 1386728661 /nfs/dbraw/zinc/72/86/61/1386728661.db2.gz LZLZZGFULWHSHY-GJZGRUSLSA-N 0 0 341.293 3.426 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCC[C@@H]2CCCOC2)cc1 ZINC001331272644 1389679405 /nfs/dbraw/zinc/67/94/05/1389679405.db2.gz RLGUSQKVKQHOHT-KRWDZBQOSA-N 0 0 333.476 3.149 10 10 EGCERN C[C@H](OC1CCCCC1)C(=O)NCc1ccc2cccnc2c1O ZINC001331643633 1389842407 /nfs/dbraw/zinc/84/24/07/1389842407.db2.gz WFNJRLSWGPJCFM-ZDUSSCGKSA-N 0 0 328.412 3.294 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1[O-] ZINC001333847531 1390421114 /nfs/dbraw/zinc/42/11/14/1390421114.db2.gz SWGONRCNQWUZIW-MXWKQRLJSA-N 0 0 332.734 3.477 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001346211116 1390915613 /nfs/dbraw/zinc/91/56/13/1390915613.db2.gz RVZDELZRRIRGND-OALUTQOASA-N 0 0 345.487 3.304 10 10 EGCERN C[C@@H](NC(=O)CC[C@H]1[C@@H](C)n2nccc2N[C@H]1C)c1ccccc1O ZINC001348994460 1391294136 /nfs/dbraw/zinc/29/41/36/1391294136.db2.gz XYBHLJPEKQHTIV-GBJTYRQASA-N 0 0 342.443 3.238 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)cc1 ZINC001353504033 1392025312 /nfs/dbraw/zinc/02/53/12/1392025312.db2.gz OINNNDKQGRWIFH-QGZVFWFLSA-N 0 0 346.377 3.469 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ncoc2CCC(F)(F)F)cc1 ZINC001353503186 1392025418 /nfs/dbraw/zinc/02/54/18/1392025418.db2.gz HIZZSQIZLCRBNP-UHFFFAOYSA-N 0 0 341.333 3.166 10 10 EGCERN CCSCCCn1c(CC)nnc1N(C)Cc1ccccc1O ZINC001503346753 1396251336 /nfs/dbraw/zinc/25/13/36/1396251336.db2.gz GNZPRTRKBTWTJE-UHFFFAOYSA-N 0 0 334.489 3.326 10 10 EGCERN CCc1nnc(N2CC[C@H](C)C2)n1CCCSc1nccs1 ZINC001709076974 1417421854 /nfs/dbraw/zinc/42/18/54/1417421854.db2.gz CVDWKCYNSBVSGQ-LBPRGKRZSA-N 0 0 337.518 3.326 10 10 EGCERN Cc1nnc(N2CC[C@@H]3CCC[C@H]32)n1Cc1ccc(N(C)C)cc1C ZINC001724237457 1424748474 /nfs/dbraw/zinc/74/84/74/1424748474.db2.gz ZVUDJKCLYIONSH-QFBILLFUSA-N 0 0 339.487 3.388 10 10 EGCERN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)OC ZINC001743567200 1439574200 /nfs/dbraw/zinc/57/42/00/1439574200.db2.gz OTNRLCDJYSSMKI-KBPBESRZSA-N 0 0 332.448 3.169 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1Cc1ccoc1 ZINC001750610743 1440107334 /nfs/dbraw/zinc/10/73/34/1440107334.db2.gz BOINNUDWEOXYNL-UHFFFAOYSA-N 0 0 326.400 3.385 10 10 EGCERN CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1C ZINC000075287082 216604065 /nfs/dbraw/zinc/60/40/65/216604065.db2.gz SCVQDPXAMFBHQS-YVLHZVERSA-N 0 0 341.386 3.357 10 10 EGCERN COc1cccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)c1OC ZINC000012474095 211390019 /nfs/dbraw/zinc/39/00/19/211390019.db2.gz LJWIPOLNKKCOQT-DYTQJMLRSA-N 0 0 346.452 3.406 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 ZINC000010433387 211170831 /nfs/dbraw/zinc/17/08/31/211170831.db2.gz BXLSSTDGCWINAW-UHFFFAOYSA-N 0 0 343.452 3.093 10 10 EGCERN CCc1ccc(NC=C2SC(=S)N(CCCOC)C2=O)cc1 ZINC000005021816 210365027 /nfs/dbraw/zinc/36/50/27/210365027.db2.gz FSIXPMKLBGBVED-KAMYIIQDSA-N 0 0 336.482 3.399 10 10 EGCERN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1 ZINC000027520555 276309007 /nfs/dbraw/zinc/30/90/07/276309007.db2.gz DTDQQLAHAUAAHO-VBKFSLOCSA-N 0 0 337.335 3.375 10 10 EGCERN COC(=O)[C@@H](C)N1C(=O)/C(=C/C=C\c2ccccc2)SC1=S ZINC000033332517 277075652 /nfs/dbraw/zinc/07/56/52/277075652.db2.gz XJYSNKHZUSTDPK-XIXFEYSYSA-N 0 0 333.434 3.006 10 10 EGCERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cccnc1 ZINC000174071311 455356621 /nfs/dbraw/zinc/35/66/21/455356621.db2.gz FVQWGUKANPMALH-QAPCUYQASA-N 0 0 340.423 3.099 10 10 EGCERN COC(=O)CCNC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000032989677 453899844 /nfs/dbraw/zinc/89/98/44/453899844.db2.gz SLEVCPZJZFSNKM-JXMROGBWSA-N 0 0 340.423 3.095 10 10 EGCERN COc1ccc(N2CCC(N(C)C(=O)c3ccc(C)nc3)CC2)cc1 ZINC000069460900 454108198 /nfs/dbraw/zinc/10/81/98/454108198.db2.gz UDTHTGVPAVCBEV-UHFFFAOYSA-N 0 0 339.439 3.140 10 10 EGCERN COc1cccc(CNc2nccc(OCc3ccccc3)n2)c1O ZINC000089596274 454165638 /nfs/dbraw/zinc/16/56/38/454165638.db2.gz PWYOBONFPWQTIF-UHFFFAOYSA-N 0 0 337.379 3.382 10 10 EGCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@]4(CC=CCC4)C3)cc2N1 ZINC000130690780 454213353 /nfs/dbraw/zinc/21/33/53/454213353.db2.gz DDEZKOFXGOFYGJ-GOSISDBHSA-N 0 0 343.383 3.252 10 10 EGCERN Cc1c(O)cccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000095978643 454247066 /nfs/dbraw/zinc/24/70/66/454247066.db2.gz AOOYZBOHBWHDEP-MRXNPFEDSA-N 0 0 341.407 3.228 10 10 EGCERN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000102393267 454502946 /nfs/dbraw/zinc/50/29/46/454502946.db2.gz YZZUSTGJGOYIEQ-MRXNPFEDSA-N 0 0 329.444 3.429 10 10 EGCERN c1csc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000092593960 454592345 /nfs/dbraw/zinc/59/23/45/454592345.db2.gz PNUJJBAAWQIJRK-SFHVURJKSA-N 0 0 344.480 3.158 10 10 EGCERN CCOc1cccc(CN2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000093457757 454716589 /nfs/dbraw/zinc/71/65/89/454716589.db2.gz WAYSXCYWHGHIMW-SFHVURJKSA-N 0 0 329.396 3.070 10 10 EGCERN Cc1cc(CNC(=O)c2c(Cl)nc3ccccn32)ccc1N(C)C ZINC000110794797 454852789 /nfs/dbraw/zinc/85/27/89/454852789.db2.gz PIXHDFLFVPNBFJ-UHFFFAOYSA-N 0 0 342.830 3.292 10 10 EGCERN Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000127508831 454971547 /nfs/dbraw/zinc/97/15/47/454971547.db2.gz GCRZTZVWCPXVLW-PBHICJAKSA-N 0 0 340.471 3.044 10 10 EGCERN Oc1ccc(CCNc2ccc(-c3ccc(F)cc3)nn2)cc1O ZINC000128683963 455076962 /nfs/dbraw/zinc/07/69/62/455076962.db2.gz OKLOWNMPKHTOKL-UHFFFAOYSA-N 0 0 325.343 3.349 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000183460935 455295576 /nfs/dbraw/zinc/29/55/76/455295576.db2.gz CCUHLSLRNRRIRQ-ZFWWWQNUSA-N 0 0 341.407 3.101 10 10 EGCERN C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000184889221 455467207 /nfs/dbraw/zinc/46/72/07/455467207.db2.gz ZWSHDLHBAPICSH-SNVBAGLBSA-N 0 0 331.243 3.362 10 10 EGCERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000191412073 455483997 /nfs/dbraw/zinc/48/39/97/455483997.db2.gz ITZRGJNLAFXFBG-APWZRJJASA-N 0 0 330.472 3.450 10 10 EGCERN CCOc1ccc(O)c(CNCc2cc(COC(C)(C)C)on2)c1 ZINC000186424406 455765041 /nfs/dbraw/zinc/76/50/41/455765041.db2.gz GBUHABVFPRNUSY-UHFFFAOYSA-N 0 0 334.416 3.384 10 10 EGCERN CCCN(CCC)c1ccc(CN[C@@H](C(N)=O)c2ccccn2)cc1 ZINC000295119822 455839601 /nfs/dbraw/zinc/83/96/01/455839601.db2.gz NAIDOMDZUWZSPW-LJQANCHMSA-N 0 0 340.471 3.024 10 10 EGCERN COc1ccc(OC)c([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 ZINC000253431203 455847760 /nfs/dbraw/zinc/84/77/60/455847760.db2.gz ZNUQYQAEMZEWAZ-KRWDZBQOSA-N 0 0 340.379 3.107 10 10 EGCERN Cc1noc([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000295462294 455850190 /nfs/dbraw/zinc/85/01/90/455850190.db2.gz WACQEZBIRQNHKZ-JTQLQIEISA-N 0 0 325.771 3.256 10 10 EGCERN Cc1cc(C(=O)NCCc2ncccc2C)c(C)n1-c1ccccn1 ZINC000296057756 455867844 /nfs/dbraw/zinc/86/78/44/455867844.db2.gz NIQMDGRIFMFMED-UHFFFAOYSA-N 0 0 334.423 3.165 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cnc(OCC2CC2)cn1 ZINC000285557765 455870387 /nfs/dbraw/zinc/87/03/87/455870387.db2.gz FORXFQZGMKKNKB-UHFFFAOYSA-N 0 0 341.411 3.023 10 10 EGCERN C/C(=C\C(C)(C)C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187498062 455917916 /nfs/dbraw/zinc/91/79/16/455917916.db2.gz DJIBIQJUXNTNRL-WYMLVPIESA-N 0 0 348.462 3.395 10 10 EGCERN Cc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c(Cl)n1 ZINC000289150336 456115814 /nfs/dbraw/zinc/11/58/14/456115814.db2.gz HOQUVEXIRSPSPZ-UHFFFAOYSA-N 0 0 345.830 3.078 10 10 EGCERN COc1ccc(N2CCN(c3nc(CC(C)C)ns3)CC2)cc1 ZINC000302236855 456326388 /nfs/dbraw/zinc/32/63/88/456326388.db2.gz KEARMGWTFJUIGA-UHFFFAOYSA-N 0 0 332.473 3.072 10 10 EGCERN CCOCc1nc([C@H](C)NCc2cc(Cl)cc(C)c2O)no1 ZINC000290903268 456462662 /nfs/dbraw/zinc/46/26/62/456462662.db2.gz MGPYCNMUFBMNFX-JTQLQIEISA-N 0 0 325.796 3.124 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCCc2cccc3[nH]ccc32)cc1 ZINC000282748885 456613708 /nfs/dbraw/zinc/61/37/08/456613708.db2.gz GCAJGXQIJDUGKH-UHFFFAOYSA-N 0 0 336.439 3.276 10 10 EGCERN C[C@@H]1COCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000277294848 456764362 /nfs/dbraw/zinc/76/43/62/456764362.db2.gz ANLNCWXHKLXJLU-VQIMIIECSA-N 0 0 345.487 3.243 10 10 EGCERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000277359649 456794959 /nfs/dbraw/zinc/79/49/59/456794959.db2.gz FELBQPFOGISVAQ-DOMZBBRYSA-N 0 0 338.423 3.266 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Nc2cn(C)nc2C2CC2)cc1 ZINC000292078722 456849480 /nfs/dbraw/zinc/84/94/80/456849480.db2.gz PJLJKUPIVBDUJD-UHFFFAOYSA-N 0 0 341.459 3.465 10 10 EGCERN Cc1cc(C(=O)N[C@H]2CCc3[nH]cnc3C2)c(C)n1-c1ccccc1C ZINC000378309619 457389631 /nfs/dbraw/zinc/38/96/31/457389631.db2.gz PBVVCIYVMXEJQP-INIZCTEOSA-N 0 0 348.450 3.413 10 10 EGCERN CCOc1cccc(CN2CCCC[C@H]2c2noc(CC)n2)c1O ZINC000361156003 457618531 /nfs/dbraw/zinc/61/85/31/457618531.db2.gz FCQZHHHXLCCDLO-AWEZNQCLSA-N 0 0 331.416 3.464 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000413534750 458303106 /nfs/dbraw/zinc/30/31/06/458303106.db2.gz RTBZBRWAOUQQLN-UZLBHIALSA-N 0 0 340.398 3.363 10 10 EGCERN Cn1cc(-c2c[nH]cc2C(=O)N2CCc3ccc(Cl)cc32)cn1 ZINC000494818829 458749563 /nfs/dbraw/zinc/74/95/63/458749563.db2.gz FCUFKBBZAVEVSM-UHFFFAOYSA-N 0 0 326.787 3.272 10 10 EGCERN COc1ccc(CNC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c(O)c1 ZINC000529229033 459826273 /nfs/dbraw/zinc/82/62/73/459826273.db2.gz RARLNZMOXHLXSC-BMGDILEWSA-N 0 0 343.810 3.256 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000631560203 460443687 /nfs/dbraw/zinc/44/36/87/460443687.db2.gz UJQILDMBJQLZHL-KRWDZBQOSA-N 0 0 332.444 3.073 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CC4(F)F)C3)ccc21 ZINC000655190084 461129963 /nfs/dbraw/zinc/12/99/63/461129963.db2.gz UMRMNSXTJDVKJK-UHFFFAOYSA-N 0 0 348.393 3.386 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1OCc2ccccc21 ZINC000653672438 461799535 /nfs/dbraw/zinc/79/95/35/461799535.db2.gz OCMRGZVPCZSTFF-GOSISDBHSA-N 0 0 338.407 3.140 10 10 EGCERN C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1[O-] ZINC000187755585 547141708 /nfs/dbraw/zinc/14/17/08/547141708.db2.gz VCXUVHSGGQOXRZ-MNOVXSKESA-N 0 0 337.345 3.134 10 10 EGCERN COc1ccc(N2CCC(NC(=O)c3ccc(C)nc3C)CC2)cc1 ZINC000726562128 574561771 /nfs/dbraw/zinc/56/17/71/574561771.db2.gz CDACSPCDTPUKAJ-UHFFFAOYSA-N 0 0 339.439 3.106 10 10 EGCERN CCN(CC(=O)OC)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000728703964 574767534 /nfs/dbraw/zinc/76/75/34/574767534.db2.gz VOBWGCDWWXQKHB-UHFFFAOYSA-N 0 0 348.830 3.383 10 10 EGCERN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000730177522 574930552 /nfs/dbraw/zinc/93/05/52/574930552.db2.gz NHQUKIGSFOZUIE-DLBZAZTESA-N 0 0 342.414 3.320 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCCCc2cccc(F)c2)cc1F ZINC000731685746 575198112 /nfs/dbraw/zinc/19/81/12/575198112.db2.gz GFBBGQDUDDWSRL-UHFFFAOYSA-N 0 0 347.409 3.463 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000733189004 575318705 /nfs/dbraw/zinc/31/87/05/575318705.db2.gz VFUDEWKJMDRWAM-WMZJFQQLSA-N 0 0 330.384 3.406 10 10 EGCERN Cc1cc(C(=O)N2CCN(C3CC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000742446748 576785113 /nfs/dbraw/zinc/78/51/13/576785113.db2.gz JXLKINSVRDMUSA-UHFFFAOYSA-N 0 0 341.430 3.153 10 10 EGCERN CN1CCCc2cc(/C=C/C(=O)Nc3nnc(C4CC4)s3)ccc21 ZINC000061111561 1291961409 /nfs/dbraw/zinc/96/14/09/1291961409.db2.gz AHWWOTSIZHQZBS-WEVVVXLNSA-N 0 0 340.452 3.450 10 10 EGCERN Nc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000063129955 1292000902 /nfs/dbraw/zinc/00/09/02/1292000902.db2.gz UWDXUPYCZGQDLJ-UHFFFAOYSA-N 0 0 345.251 3.097 10 10 EGCERN COC(=O)[C@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000170740265 1294380160 /nfs/dbraw/zinc/38/01/60/1294380160.db2.gz VHJRDJSHSMMAPE-AWEZNQCLSA-N 0 0 346.452 3.181 10 10 EGCERN COc1ccc2c(c1)C=C(S(=O)(=O)Nc1ccc(O)cc1)CC2 ZINC000184461048 1295197652 /nfs/dbraw/zinc/19/76/52/1295197652.db2.gz SLEALCHFYWWFSM-UHFFFAOYSA-N 0 0 331.393 3.130 10 10 EGCERN O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(O)c1O ZINC000188298750 1295449760 /nfs/dbraw/zinc/44/97/60/1295449760.db2.gz LGJCOCSHEOJVHR-UHFFFAOYSA-N 0 0 327.258 3.291 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccn(C2CCSCC2)n1 ZINC000869941647 1295550596 /nfs/dbraw/zinc/55/05/96/1295550596.db2.gz WTKOWTAAICNSQP-DUXPYHPUSA-N 0 0 345.424 3.014 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(Cc2nccs2)CC1 ZINC000870265588 1295773509 /nfs/dbraw/zinc/77/35/09/1295773509.db2.gz MGRHPFKVCWASOQ-DUXPYHPUSA-N 0 0 344.436 3.049 10 10 EGCERN CN(C)c1ccc(/C=C\C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000222024909 1296127891 /nfs/dbraw/zinc/12/78/91/1296127891.db2.gz BODYUVUMRLOWRU-XFXZXTDPSA-N 0 0 349.390 3.250 10 10 EGCERN COc1ccc(C(=O)CCCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871200311 1296270415 /nfs/dbraw/zinc/27/04/15/1296270415.db2.gz ABOFFAHNJSQTEX-UHFFFAOYSA-N 0 0 339.391 3.296 10 10 EGCERN O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1Cc2cccc(O)c2C1 ZINC000871203048 1296271791 /nfs/dbraw/zinc/27/17/91/1296271791.db2.gz LEKQHOTXZMUCQX-UHFFFAOYSA-N 0 0 346.390 3.211 10 10 EGCERN CC(C)(C)OC(=O)N(CCC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000871205552 1296272455 /nfs/dbraw/zinc/27/24/55/1296272455.db2.gz GXJOJQVYXANHQU-UHFFFAOYSA-N 0 0 346.427 3.024 10 10 EGCERN CCOC(=O)c1ccccc1NC(=S)NCc1ncccc1C ZINC000244015355 1296295998 /nfs/dbraw/zinc/29/59/98/1296295998.db2.gz SNGBWKFQMRTEAN-UHFFFAOYSA-N 0 0 329.425 3.053 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000252499725 1296461532 /nfs/dbraw/zinc/46/15/32/1296461532.db2.gz JEENMLZMQMTLOP-BWTSREIZSA-N 0 0 328.456 3.216 10 10 EGCERN Nc1ccc(CCNC(=O)Nc2ccc(Br)cc2)cc1 ZINC000398524031 1297719492 /nfs/dbraw/zinc/71/94/92/1297719492.db2.gz OFGJBUXDKPQZFJ-UHFFFAOYSA-N 0 0 334.217 3.396 10 10 EGCERN CC[N@H+](CCN(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708076515 1298233382 /nfs/dbraw/zinc/23/33/82/1298233382.db2.gz VXWMNTUGWRTCJC-UHFFFAOYSA-N 0 0 335.673 3.192 10 10 EGCERN C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098233 1298235429 /nfs/dbraw/zinc/23/54/29/1298235429.db2.gz FQFNTDLAHPWUGP-NXEZZACHSA-N 0 0 347.684 3.367 10 10 EGCERN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000880750329 1301255773 /nfs/dbraw/zinc/25/57/73/1301255773.db2.gz JYHIICUEZKVWQO-UTKZUKDTSA-N 0 0 344.499 3.480 10 10 EGCERN COC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000886360241 1303446955 /nfs/dbraw/zinc/44/69/55/1303446955.db2.gz SFBDCZTZLNDVRZ-HZMBPMFUSA-N 0 0 334.243 3.230 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000894677356 1309018010 /nfs/dbraw/zinc/01/80/10/1309018010.db2.gz ZMUJRCGZNZMVFK-IBGZPJMESA-N 0 0 333.378 3.197 10 10 EGCERN CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000895264370 1309263577 /nfs/dbraw/zinc/26/35/77/1309263577.db2.gz IYCNGZDHUUYDPO-ZIAGYGMSSA-N 0 0 326.824 3.193 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@H]2CCc3sccc3C2=O)cc1 ZINC000895486888 1309364986 /nfs/dbraw/zinc/36/49/86/1309364986.db2.gz AFZDHHWKIPCNTF-CQSZACIVSA-N 0 0 342.464 3.266 10 10 EGCERN CC1(C)CO[C@H](CC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000895771177 1309511505 /nfs/dbraw/zinc/51/15/05/1309511505.db2.gz JDEVYYDMMYCQAK-QGZVFWFLSA-N 0 0 348.512 3.061 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845890 1309554385 /nfs/dbraw/zinc/55/43/85/1309554385.db2.gz RGSBDAGGDMHUQZ-IINYFYTJSA-N 0 0 344.224 3.295 10 10 EGCERN CC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](CC)O1 ZINC000897995445 1310546727 /nfs/dbraw/zinc/54/67/27/1310546727.db2.gz FLJPJMRNPQMKLH-RYUDHWBXSA-N 0 0 335.425 3.342 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](C(F)F)C1CCCCC1 ZINC000857741640 1328593900 /nfs/dbraw/zinc/59/39/00/1328593900.db2.gz JFDPVOPFSCBEPW-DYLHUKMJSA-N 0 0 325.355 3.441 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCn2cncc21 ZINC000857986498 1328650243 /nfs/dbraw/zinc/65/02/43/1328650243.db2.gz QBKMMXGSMATBNB-ZDUSSCGKSA-N 0 0 326.425 3.227 10 10 EGCERN CCN(Cc1cc(C(F)(F)F)nn1C)c1ccc(OC)c(OC)c1 ZINC000929897593 1328733495 /nfs/dbraw/zinc/73/34/95/1328733495.db2.gz MCTMTKNYGGEGKW-UHFFFAOYSA-N 0 0 343.349 3.483 10 10 EGCERN CC[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858434758 1328761874 /nfs/dbraw/zinc/76/18/74/1328761874.db2.gz OREIUOAOVRDTQH-NWDGAFQWSA-N 0 0 344.242 3.207 10 10 EGCERN C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000858483568 1328775494 /nfs/dbraw/zinc/77/54/94/1328775494.db2.gz SKVWCJFOIYKSSJ-GFCCVEGCSA-N 0 0 347.377 3.139 10 10 EGCERN C[C@H](NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000913763916 1319118706 /nfs/dbraw/zinc/11/87/06/1319118706.db2.gz VQPNWCXDFVDLIQ-HSBZDZAISA-N 0 0 348.443 3.263 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000858610895 1328809762 /nfs/dbraw/zinc/80/97/62/1328809762.db2.gz IVLDRVNOZADFLG-JCNLHEQBSA-N 0 0 326.396 3.110 10 10 EGCERN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000918642545 1319982243 /nfs/dbraw/zinc/98/22/43/1319982243.db2.gz DDABQCLGGJEROV-MRXNPFEDSA-N 0 0 340.423 3.038 10 10 EGCERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C23CC(C2)C3)cc1 ZINC000858928957 1328892561 /nfs/dbraw/zinc/89/25/61/1328892561.db2.gz ZNQYIVWYZVKBCW-KGXSXCIVSA-N 0 0 328.456 3.060 10 10 EGCERN COc1ccc(N(C)C[C@H](O)COc2ccc3cc[nH]c3c2)cc1 ZINC000930844386 1328985238 /nfs/dbraw/zinc/98/52/38/1328985238.db2.gz GWCROFCXDXUZNU-INIZCTEOSA-N 0 0 326.396 3.053 10 10 EGCERN C[C@H](NS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000919116931 1322028933 /nfs/dbraw/zinc/02/89/33/1322028933.db2.gz ARNSMUCLGPNIHP-CXMBCZLWSA-N 0 0 335.400 3.068 10 10 EGCERN CC[C@H](C)Oc1cc(CNC(=O)NCc2c(O)cccc2F)ccn1 ZINC000921824475 1322406181 /nfs/dbraw/zinc/40/61/81/1322406181.db2.gz HANGEUXNGCXYDN-LBPRGKRZSA-N 0 0 347.390 3.103 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000921993605 1322436214 /nfs/dbraw/zinc/43/62/14/1322436214.db2.gz DWGSEBUUFJQTGS-KDOFPFPSSA-N 0 0 344.386 3.251 10 10 EGCERN COc1ccc(CNC(=O)NCC2CCC(SC)CC2)c(O)c1 ZINC000924297943 1322966944 /nfs/dbraw/zinc/96/69/44/1322966944.db2.gz QGLAFXHVFSSVCZ-UHFFFAOYSA-N 0 0 338.473 3.122 10 10 EGCERN CCn1ncc(NC(=O)NCc2c(O)cccc2F)c1C(F)(F)F ZINC000931263115 1329081604 /nfs/dbraw/zinc/08/16/04/1329081604.db2.gz MCIQWXUJFMKAEY-UHFFFAOYSA-N 0 0 346.284 3.088 10 10 EGCERN COc1cc(NC(=O)N2Cc3cccc(O)c3C2)c(C)c(OC)c1 ZINC000931290178 1329086856 /nfs/dbraw/zinc/08/68/56/1329086856.db2.gz UQIJFBUZIOTBBT-UHFFFAOYSA-N 0 0 328.368 3.266 10 10 EGCERN Cc1cc(C(=O)NCc2ccccc2O)c(C)n1C[C@@H]1CCCOC1 ZINC000860232951 1329179576 /nfs/dbraw/zinc/17/95/76/1329179576.db2.gz GPJRJFSPZCMFFQ-INIZCTEOSA-N 0 0 342.439 3.167 10 10 EGCERN COc1cccc(CNC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)c1O ZINC000860240383 1329181698 /nfs/dbraw/zinc/18/16/98/1329181698.db2.gz HZHIOMXKPYZSCY-USXIJHARSA-N 0 0 343.810 3.256 10 10 EGCERN COc1ccc2c(c1)CC[C@@H]2C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000860240711 1329181778 /nfs/dbraw/zinc/18/17/78/1329181778.db2.gz CMMPPFNVOGEFKH-PXAZEXFGSA-N 0 0 341.407 3.317 10 10 EGCERN C[C@H](NC(=O)N[C@H]1c2ccccc2OC[C@H]1F)c1ccccc1O ZINC000925133809 1325059614 /nfs/dbraw/zinc/05/96/14/1325059614.db2.gz DUHDZDRMNAROQQ-KHIZAZIESA-N 0 0 330.359 3.224 10 10 EGCERN COc1ccc([C@H](C)NC(=O)NCc2cccc(OC)c2O)cc1C ZINC000926260863 1325494720 /nfs/dbraw/zinc/49/47/20/1325494720.db2.gz HDCKPBKKGAHYDK-ZDUSSCGKSA-N 0 0 344.411 3.278 10 10 EGCERN C[C@@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)c1ccc(N(C)C)cc1 ZINC000860949855 1329371948 /nfs/dbraw/zinc/37/19/48/1329371948.db2.gz GMJBTWOVQYVEMG-CZUORRHYSA-N 0 0 342.414 3.320 10 10 EGCERN C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926905181 1327767386 /nfs/dbraw/zinc/76/73/86/1327767386.db2.gz MKYKYANKPGEJCY-CHIMOYNISA-N 0 0 348.321 3.451 10 10 EGCERN CC1(C)C[C@H](C(=O)NCc2c(O)cccc2F)c2ccccc2O1 ZINC000928706992 1328404739 /nfs/dbraw/zinc/40/47/39/1328404739.db2.gz ZITUNZAQYYPGMF-ZDUSSCGKSA-N 0 0 329.371 3.492 10 10 EGCERN O=C(NCc1c(O)cccc1F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000928710448 1328405853 /nfs/dbraw/zinc/40/58/53/1328405853.db2.gz SLZXUHWFPRPAJL-UHFFFAOYSA-N 0 0 344.342 3.178 10 10 EGCERN CCc1cc(Cl)cnc1NC(=O)NCc1cccc(OC)c1O ZINC000861613600 1329431619 /nfs/dbraw/zinc/43/16/19/1329431619.db2.gz YDAWLTXDDHDLLF-UHFFFAOYSA-N 0 0 335.791 3.333 10 10 EGCERN Nc1ccc(CCNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cc1 ZINC000861640822 1329433675 /nfs/dbraw/zinc/43/36/75/1329433675.db2.gz OXJOJQAIRSFDTM-CGTJXYLNSA-N 0 0 341.842 3.102 10 10 EGCERN CCC[C@H]1C[C@@H](C(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027175 1329456074 /nfs/dbraw/zinc/45/60/74/1329456074.db2.gz LEDKFTLNPSRDRQ-HOCLYGCPSA-N 0 0 328.412 3.152 10 10 EGCERN CC[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1c(C)noc1C ZINC000862027702 1329456130 /nfs/dbraw/zinc/45/61/30/1329456130.db2.gz CGDKGTPKBQLVCV-OAHLLOKOSA-N 0 0 339.395 3.355 10 10 EGCERN C[C@@]1(C2CC2)CN(Cc2c(O)cccc2Br)CCO1 ZINC000862409383 1329483948 /nfs/dbraw/zinc/48/39/48/1329483948.db2.gz SUHFJPDXQGBKTM-HNNXBMFYSA-N 0 0 326.234 3.156 10 10 EGCERN COc1cc(O)c(CN[C@H](c2nccs2)C(F)(F)F)cc1OC ZINC000862432293 1329486274 /nfs/dbraw/zinc/48/62/74/1329486274.db2.gz YCKJVAVHEITQEO-GFCCVEGCSA-N 0 0 348.346 3.259 10 10 EGCERN COc1cc(OC)c2c(c1)N(C(=O)/C=C/c1cccnc1C)CCC2 ZINC000862776329 1329508319 /nfs/dbraw/zinc/50/83/19/1329508319.db2.gz WTCJHTVFUCTZGR-CMDGGOBGSA-N 0 0 338.407 3.400 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000863007688 1329522521 /nfs/dbraw/zinc/52/25/21/1329522521.db2.gz XNLGZEGDBGLQGN-FHIHXZLISA-N 0 0 327.428 3.031 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2c1C(=O)CC2 ZINC000864862336 1329646887 /nfs/dbraw/zinc/64/68/87/1329646887.db2.gz JQCITJKTPZPBAV-UHFFFAOYSA-N 0 0 334.419 3.346 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)CC2)cc1 ZINC000864949195 1329654712 /nfs/dbraw/zinc/65/47/12/1329654712.db2.gz GZMAWFBKHRXEMQ-UTRMSSBJSA-N 0 0 328.456 3.026 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)cc1 ZINC000865115458 1329670417 /nfs/dbraw/zinc/67/04/17/1329670417.db2.gz MHKDRCHLVLSXMT-QZTJIDSGSA-N 0 0 330.472 3.462 10 10 EGCERN COC(=O)c1csc(CSc2ncc(C(=O)OC)s2)c1 ZINC000865369262 1329689493 /nfs/dbraw/zinc/68/94/93/1329689493.db2.gz OWSCRFVPWVEYAD-UHFFFAOYSA-N 0 0 329.424 3.070 10 10 EGCERN CN(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000865763560 1329736180 /nfs/dbraw/zinc/73/61/80/1329736180.db2.gz JLBFLRJVANBFKL-FEAKQIBJSA-N 0 0 345.443 3.248 10 10 EGCERN COc1ccc(N2CC[C@@H](Nc3nccn4nc(C5CC5)cc34)C2)cc1 ZINC000865931436 1329752590 /nfs/dbraw/zinc/75/25/90/1329752590.db2.gz FVCVATKRIMZOSG-OAHLLOKOSA-N 0 0 349.438 3.306 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCC(SC)CC2)c([N+](=O)[O-])c1 ZINC000865991270 1329757430 /nfs/dbraw/zinc/75/74/30/1329757430.db2.gz VRGPPQJEXADAKW-XQRVVYSFSA-N 0 0 336.413 3.113 10 10 EGCERN COc1ccc(F)c(OC)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000867503445 1330206399 /nfs/dbraw/zinc/20/63/99/1330206399.db2.gz KPAQDDMFGUYQAZ-GFCCVEGCSA-N 0 0 346.402 3.400 10 10 EGCERN COc1ccc(F)c(OC)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000867503450 1330206563 /nfs/dbraw/zinc/20/65/63/1330206563.db2.gz KPAQDDMFGUYQAZ-LBPRGKRZSA-N 0 0 346.402 3.400 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@@H](C)O1 ZINC000868433015 1330280144 /nfs/dbraw/zinc/28/01/44/1330280144.db2.gz HSCKOGOVMSXSSA-MGPQQGTHSA-N 0 0 336.395 3.148 10 10 EGCERN CO[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)Cc1ccccc1 ZINC000868664374 1330310234 /nfs/dbraw/zinc/31/02/34/1330310234.db2.gz YOOLZXJFDCFUTC-GOEBONIOSA-N 0 0 328.412 3.010 10 10 EGCERN C[C@@H](NC(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000868740660 1330329035 /nfs/dbraw/zinc/32/90/35/1330329035.db2.gz DNBJCBIASHYSKP-HZSPNIEDSA-N 0 0 348.443 3.263 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)c3sc(C)cc3C)C2)cc1 ZINC000869229551 1330442418 /nfs/dbraw/zinc/44/24/18/1330442418.db2.gz YGTHJWZSAKIIGK-AWEZNQCLSA-N 0 0 330.453 3.382 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc(Br)s1 ZINC001178410870 1386209017 /nfs/dbraw/zinc/20/90/17/1386209017.db2.gz WQUOXICUSDTEFD-UHFFFAOYSA-N 0 0 330.178 3.285 10 10 EGCERN CCOCCOCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001191723213 1367570334 /nfs/dbraw/zinc/57/03/34/1367570334.db2.gz NWOWUUZHJCCYQY-UHFFFAOYSA-N 0 0 333.350 3.391 10 10 EGCERN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCCN1CCCC1=O ZINC001195325291 1368421116 /nfs/dbraw/zinc/42/11/16/1368421116.db2.gz YEWVMPURDXYOOB-QGZVFWFLSA-N 0 0 330.472 3.342 10 10 EGCERN COC(=O)[C@@](C)(Cc1ccc(F)cc1)NCc1ccc(OC)c(C)c1 ZINC001197347723 1368793835 /nfs/dbraw/zinc/79/38/35/1368793835.db2.gz BUHWDUWLMRLIJA-HXUWFJFHSA-N 0 0 345.414 3.407 10 10 EGCERN C[C@H](Nc1ncnc2c1nnn2Cc1ccccc1)c1ccccc1O ZINC001187341500 1388097466 /nfs/dbraw/zinc/09/74/66/1388097466.db2.gz XQBUZWFBWQTNPO-ZDUSSCGKSA-N 0 0 346.394 3.148 10 10 EGCERN COc1ccc2c(c1)CCCN2CN1CC[C@@H](c2ccccc2)C1=O ZINC001116500063 1370924926 /nfs/dbraw/zinc/92/49/26/1370924926.db2.gz FDDWTGPGKMLEIU-IBGZPJMESA-N 0 0 336.435 3.421 10 10 EGCERN Cc1cc(-c2nnc(CCc3cnn(C)n3)o2)c(C)n1-c1ccccc1 ZINC001118364294 1371166681 /nfs/dbraw/zinc/16/66/81/1371166681.db2.gz FMAMTJMFVNMROE-UHFFFAOYSA-N 0 0 348.410 3.058 10 10 EGCERN CCOC(=O)c1ccc[n+]([O-])c1/C=C\c1ccc(N2CCCC2)cc1 ZINC001119596935 1371371938 /nfs/dbraw/zinc/37/19/38/1371371938.db2.gz AQNTWTYWUBLWDM-XFXZXTDPSA-N 0 0 338.407 3.267 10 10 EGCERN CCCOc1ccc(CCC(=O)NCc2cccc(O)c2O)cc1 ZINC001123977150 1372644710 /nfs/dbraw/zinc/64/47/10/1372644710.db2.gz ARCYGJGBBZNLQI-UHFFFAOYSA-N 0 0 329.396 3.136 10 10 EGCERN Cn1cnc(/C=C\C(=O)N2CCOc3c2cccc3C(C)(C)C)c1 ZINC001128149050 1373223950 /nfs/dbraw/zinc/22/39/50/1373223950.db2.gz BHNQJXCRWLPPTE-HJWRWDBZSA-N 0 0 325.412 3.156 10 10 EGCERN COc1ccc(N2CCN(C(=O)C[C@H](C)CC(C)C)CC2)c(OC)c1 ZINC001131804767 1373813205 /nfs/dbraw/zinc/81/32/05/1373813205.db2.gz PLLGZMXYVQCNHY-MRXNPFEDSA-N 0 0 348.487 3.425 10 10 EGCERN CCc1c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cnn1CC ZINC001136429101 1377391971 /nfs/dbraw/zinc/39/19/71/1377391971.db2.gz ZTROBRHROBDAJJ-UHFFFAOYSA-N 0 0 328.460 3.194 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N=c3sccn3C)c2C)cc1 ZINC001136476210 1377397361 /nfs/dbraw/zinc/39/73/61/1377397361.db2.gz JOANGPAVNFJFRF-UHFFFAOYSA-N 0 0 341.436 3.244 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC001136690188 1377415490 /nfs/dbraw/zinc/41/54/90/1377415490.db2.gz DXFKMAJJWUOPER-LJQANCHMSA-N 0 0 329.371 3.437 10 10 EGCERN COC(=O)c1cc(C(C)C)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001136683158 1377415577 /nfs/dbraw/zinc/41/55/77/1377415577.db2.gz SQVPEORSOIJPFL-UHFFFAOYSA-N 0 0 343.379 3.189 10 10 EGCERN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001137070309 1377472651 /nfs/dbraw/zinc/47/26/51/1377472651.db2.gz AMQMKXPEDFDCJL-BLLLJJGKSA-N 0 0 329.371 3.389 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(Cl)c2N)c1 ZINC001137473233 1377553962 /nfs/dbraw/zinc/55/39/62/1377553962.db2.gz COCQUALXQCGJOU-JTQLQIEISA-N 0 0 334.803 3.436 10 10 EGCERN Cc1ccc(C2(CNC(=O)Cc3ccc(O)c(O)c3)CCC2)cc1C ZINC001139641949 1377924352 /nfs/dbraw/zinc/92/43/52/1377924352.db2.gz ISMPETMBULGLBB-UHFFFAOYSA-N 0 0 339.435 3.495 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@H](c1ccccc1)n1cccn1 ZINC001146233230 1378800968 /nfs/dbraw/zinc/80/09/68/1378800968.db2.gz RHPILCZXMNNRJA-KRWDZBQOSA-N 0 0 341.798 3.148 10 10 EGCERN COc1cccc(SCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001146233685 1378800974 /nfs/dbraw/zinc/80/09/74/1378800974.db2.gz ZHXBTZHAXOURTQ-UHFFFAOYSA-N 0 0 337.828 3.463 10 10 EGCERN Cc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(F)F)c(O)c1O ZINC001147485471 1379031613 /nfs/dbraw/zinc/03/16/13/1379031613.db2.gz LJXIOJBTCHNBMU-AWEZNQCLSA-N 0 0 335.350 3.403 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1ccnc(-c2ccccn2)n1 ZINC001149880432 1379459781 /nfs/dbraw/zinc/45/97/81/1379459781.db2.gz JKSBATYAHSCYEW-UHFFFAOYSA-N 0 0 348.406 3.297 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc3cnccc32)c1 ZINC001150543846 1379565042 /nfs/dbraw/zinc/56/50/42/1379565042.db2.gz VPGDJHBSGCXSBF-CYBMUJFWSA-N 0 0 336.391 3.369 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cncc3ccccc32)c1 ZINC001150543599 1379565243 /nfs/dbraw/zinc/56/52/43/1379565243.db2.gz QPOSDWLMDQIGBE-ZDUSSCGKSA-N 0 0 336.391 3.369 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 ZINC001150893223 1379627902 /nfs/dbraw/zinc/62/79/02/1379627902.db2.gz DRWDELZCVSLMAS-HNNXBMFYSA-N 0 0 344.415 3.461 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)c3ccn(CC)c3C)CC2)cc1 ZINC001151503362 1379727819 /nfs/dbraw/zinc/72/78/19/1379727819.db2.gz QZJXSMNPTDDELK-UHFFFAOYSA-N 0 0 341.455 3.178 10 10 EGCERN O=C(Cc1cccc(Br)c1)N1Cc2cccc(O)c2C1 ZINC001152573149 1379950803 /nfs/dbraw/zinc/95/08/03/1379950803.db2.gz JKHCQPXEXPHVIO-UHFFFAOYSA-N 0 0 332.197 3.240 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC001155551741 1380467084 /nfs/dbraw/zinc/46/70/84/1380467084.db2.gz MTRFUZIQWGOJMQ-CTYIDZIISA-N 0 0 331.799 3.356 10 10 EGCERN COC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC(C)CC1 ZINC001156776837 1380633070 /nfs/dbraw/zinc/63/30/70/1380633070.db2.gz CDGAIEVVAOJAGQ-UHFFFAOYSA-N 0 0 332.404 3.174 10 10 EGCERN COc1ccc2c(CC(=O)NCc3c(O)cccc3O)coc2c1C ZINC001156885425 1380717582 /nfs/dbraw/zinc/71/75/82/1380717582.db2.gz DLIOKBRMRLAJGJ-UHFFFAOYSA-N 0 0 341.363 3.020 10 10 EGCERN CC(C)c1nc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c[nH]1 ZINC001157125314 1380782034 /nfs/dbraw/zinc/78/20/34/1380782034.db2.gz VHWFYCWCLRDNFS-UHFFFAOYSA-N 0 0 331.397 3.089 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCOC23CCCCC3)cc1 ZINC001158101168 1381127954 /nfs/dbraw/zinc/12/79/54/1381127954.db2.gz BTNUDJOINGSBAN-CQSZACIVSA-N 0 0 330.388 3.071 10 10 EGCERN CC(=O)Nc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1F ZINC001159033173 1381524263 /nfs/dbraw/zinc/52/42/63/1381524263.db2.gz CRTUXXMCFCIHKY-UHFFFAOYSA-N 0 0 336.750 3.073 10 10 EGCERN O=C(Cn1ccc2ccc(F)cc21)NCc1cccc(Cl)c1O ZINC001159041686 1381536894 /nfs/dbraw/zinc/53/68/94/1381536894.db2.gz YBOODQBVBRDHNB-UHFFFAOYSA-N 0 0 332.762 3.456 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@@]3(O)C[C@H]3C2)c1 ZINC001328489142 1388762245 /nfs/dbraw/zinc/76/22/45/1388762245.db2.gz LVUQHYPKXTZPKZ-IFXJQAMLSA-N 0 0 344.842 3.344 10 10 EGCERN O=C(/C=C\c1ccc[nH]1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001160564194 1382143440 /nfs/dbraw/zinc/14/34/40/1382143440.db2.gz XSMZQVCLIKNXCA-KTKRTIGZSA-N 0 0 329.363 3.376 10 10 EGCERN Cc1cnc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(O)c1 ZINC001293146626 1382262419 /nfs/dbraw/zinc/26/24/19/1382262419.db2.gz WHNZBAHOOOMFIY-UHFFFAOYSA-N 0 0 339.439 3.262 10 10 EGCERN Cn1ncc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1Cl ZINC001294673151 1382483049 /nfs/dbraw/zinc/48/30/49/1382483049.db2.gz ZZWCHHHWDUKDDI-UHFFFAOYSA-N 0 0 345.786 3.215 10 10 EGCERN O=C(Cc1ccc2c(c1)CCC2)NCc1ccc2cccnc2c1O ZINC001162606944 1382806466 /nfs/dbraw/zinc/80/64/66/1382806466.db2.gz BLVVYPWKKNQADO-UHFFFAOYSA-N 0 0 332.403 3.288 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2sc(Cl)cc2C1 ZINC001163163128 1382981171 /nfs/dbraw/zinc/98/11/71/1382981171.db2.gz PRAQMWLSCFPRSK-DUXPYHPUSA-N 0 0 335.812 3.411 10 10 EGCERN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296796194 1383065020 /nfs/dbraw/zinc/06/50/20/1383065020.db2.gz URAJBPDGLOXHSP-LSDHHAIUSA-N 0 0 332.404 3.173 10 10 EGCERN CCOCCCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001297459190 1383165544 /nfs/dbraw/zinc/16/55/44/1383165544.db2.gz FOZDRSNWIKECTP-UHFFFAOYSA-N 0 0 344.459 3.314 10 10 EGCERN Oc1cccc(O)c1CNc1ccnc(Cc2ccc(F)cc2)n1 ZINC001164212591 1383166759 /nfs/dbraw/zinc/16/67/59/1383166759.db2.gz VJILYOJUEJELNN-UHFFFAOYSA-N 0 0 325.343 3.230 10 10 EGCERN Cn1cc(CC(=O)NCc2cc(Cl)ccc2O)c2ccccc21 ZINC001165498811 1383303246 /nfs/dbraw/zinc/30/32/46/1383303246.db2.gz SIGODMAUCXVPMC-UHFFFAOYSA-N 0 0 328.799 3.396 10 10 EGCERN Nc1cc(F)c(Cl)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001165508946 1383305551 /nfs/dbraw/zinc/30/55/51/1383305551.db2.gz ZQZRLYSORFUHOK-UHFFFAOYSA-N 0 0 329.158 3.350 10 10 EGCERN C[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2O1 ZINC001298192399 1383381379 /nfs/dbraw/zinc/38/13/79/1383381379.db2.gz STKJCGXMCWSGFM-IAQYHMDHSA-N 0 0 338.367 3.491 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001299748003 1383626367 /nfs/dbraw/zinc/62/63/67/1383626367.db2.gz DZWFZSMWDNANEC-YOEHRIQHSA-N 0 0 326.331 3.216 10 10 EGCERN Cc1cc(C(=O)Nc2ccc[n+]([O-])c2)c(C)n1-c1ccc(F)cc1 ZINC001301512932 1383718402 /nfs/dbraw/zinc/71/84/02/1383718402.db2.gz FJAPHAQFCMOMJI-UHFFFAOYSA-N 0 0 325.343 3.119 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N3[C@H](C)CC[C@@H]3CO)c2C)cc1 ZINC001303075212 1383781281 /nfs/dbraw/zinc/78/12/81/1383781281.db2.gz BMAQVENRZVDWQH-CXAGYDPISA-N 0 0 342.439 3.088 10 10 EGCERN O=C(Cc1n[nH]c2ccccc12)NCc1c(O)ccc2ccccc21 ZINC001304089629 1383828979 /nfs/dbraw/zinc/82/89/79/1383828979.db2.gz DQDHLLUUROQUAD-UHFFFAOYSA-N 0 0 331.375 3.281 10 10 EGCERN CN1CCCc2cc(CNc3ccnc(-c4nccs4)n3)ccc21 ZINC001306944972 1383924369 /nfs/dbraw/zinc/92/43/69/1383924369.db2.gz JFLBMYKXUILGOL-UHFFFAOYSA-N 0 0 337.452 3.017 10 10 EGCERN COC(=O)COc1ccc(N(C)C[C@H]2CCCC3(CCC3)O2)cc1 ZINC001307672478 1384010880 /nfs/dbraw/zinc/01/08/80/1384010880.db2.gz NODAJTWAMMZWNW-QGZVFWFLSA-N 0 0 333.428 3.166 10 10 EGCERN C[C@@H](NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)c1ccccc1O ZINC001171722996 1384613965 /nfs/dbraw/zinc/61/39/65/1384613965.db2.gz ISTLMSCMXPCUPG-HWPZZCPQSA-N 0 0 346.333 3.041 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@H]3CCC[C@H](F)C3)CC2)cc1 ZINC001329142555 1388987191 /nfs/dbraw/zinc/98/71/91/1388987191.db2.gz RRAWIGJVRMUIOG-GJZGRUSLSA-N 0 0 334.435 3.309 10 10 EGCERN Cc1c(C(=O)NCc2c(O)cccc2F)cnn1-c1ccc(F)cc1 ZINC001178410538 1386209181 /nfs/dbraw/zinc/20/91/81/1386209181.db2.gz RTCQZSFMCIESHV-UHFFFAOYSA-N 0 0 343.333 3.095 10 10 EGCERN Cc1cc(C(=O)N2C[C@@H](C)OCC[C@H]2C)c(C)n1-c1ccccn1 ZINC001336860698 1389185944 /nfs/dbraw/zinc/18/59/44/1389185944.db2.gz VEEGAOGUJUSSTA-UKRRQHHQSA-N 0 0 327.428 3.129 10 10 EGCERN c1cc2c(nc(C3CC3)nc2NCc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001329722554 1389210080 /nfs/dbraw/zinc/21/00/80/1389210080.db2.gz HVQFVPPNDIDTQT-UHFFFAOYSA-N 0 0 349.438 3.284 10 10 EGCERN O=C(NCCCSc1nccs1)NC1([C@@H]2CCCO2)CCC1 ZINC001346320585 1390922112 /nfs/dbraw/zinc/92/21/12/1390922112.db2.gz YYGKMHCHWXCVJQ-LBPRGKRZSA-N 0 0 341.502 3.026 10 10 EGCERN CCCO[C@H](C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1C ZINC001347232912 1391035498 /nfs/dbraw/zinc/03/54/98/1391035498.db2.gz CZAHZRJQHRWMBL-SFHVURJKSA-N 0 0 347.386 3.329 10 10 EGCERN CCCO[C@@H](C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1C ZINC001347232905 1391035812 /nfs/dbraw/zinc/03/58/12/1391035812.db2.gz CZAHZRJQHRWMBL-GOSISDBHSA-N 0 0 347.386 3.329 10 10 EGCERN C[C@H](O)C(C)(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001347353491 1391059392 /nfs/dbraw/zinc/05/93/92/1391059392.db2.gz UTIILTODTGGJPP-INIZCTEOSA-N 0 0 347.503 3.129 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001348392310 1391213096 /nfs/dbraw/zinc/21/30/96/1391213096.db2.gz DDMSITJASWTNKX-GOSISDBHSA-N 0 0 337.467 3.300 10 10 EGCERN CCc1c(C(=O)NCc2cccc(O)c2O)cnn1C(CC)CC ZINC001349079978 1391301028 /nfs/dbraw/zinc/30/10/28/1391301028.db2.gz VIZXODBRUCTTKH-UHFFFAOYSA-N 0 0 331.416 3.148 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccn2nccc12 ZINC001349116690 1391303668 /nfs/dbraw/zinc/30/36/68/1391303668.db2.gz CSHSKCVMIIKGFT-UHFFFAOYSA-N 0 0 334.423 3.207 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2n(n1)CCCC2 ZINC001349116698 1391303863 /nfs/dbraw/zinc/30/38/63/1391303863.db2.gz CYOQVUVFYSHPKL-UHFFFAOYSA-N 0 0 338.455 3.092 10 10 EGCERN COCC[C@@H]1CCN(C(=O)/C=C(/C)c2cnccn2)c2ccccc21 ZINC001350942066 1391564676 /nfs/dbraw/zinc/56/46/76/1391564676.db2.gz QALDKRBYWRYHRI-KGAUPUERSA-N 0 0 337.423 3.437 10 10 EGCERN CC(C)Cn1nccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351162559 1391606217 /nfs/dbraw/zinc/60/62/17/1391606217.db2.gz HLSPQHHRRFYBGJ-UHFFFAOYSA-N 0 0 340.471 3.412 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc2ncn(C)c21 ZINC001351672768 1391668528 /nfs/dbraw/zinc/66/85/28/1391668528.db2.gz HAJCHQLLKSEHRY-UHFFFAOYSA-N 0 0 348.450 3.446 10 10 EGCERN CCn1cccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001351677316 1391668530 /nfs/dbraw/zinc/66/85/30/1391668530.db2.gz VLTBVIDBCRWGPZ-INIZCTEOSA-N 0 0 328.412 3.035 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(C(=O)OC)o1 ZINC001351704835 1391676748 /nfs/dbraw/zinc/67/67/48/1391676748.db2.gz OHMFZKAIPOOVIY-UHFFFAOYSA-N 0 0 331.368 3.133 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COc1ccsc1 ZINC001352615572 1391823710 /nfs/dbraw/zinc/82/37/10/1391823710.db2.gz QJBNMWFTIGOFEP-UHFFFAOYSA-N 0 0 330.453 3.386 10 10 EGCERN CC[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001352616077 1391823803 /nfs/dbraw/zinc/82/38/03/1391823803.db2.gz WSLNAESQWQNLGY-MJGOQNOKSA-N 0 0 330.472 3.450 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccnc(-c3ccccc3)n2)cc1 ZINC001353502964 1392025547 /nfs/dbraw/zinc/02/55/47/1392025547.db2.gz FEWPSANMYLUTTH-UHFFFAOYSA-N 0 0 332.407 3.140 10 10 EGCERN COc1cccc(CNC(=O)N[C@H](CF)c2ccc(F)cc2)c1O ZINC001687380034 1396357193 /nfs/dbraw/zinc/35/71/93/1396357193.db2.gz FNQWLMYBSBMSMS-CQSZACIVSA-N 0 0 336.338 3.050 10 10 EGCERN CC[C@@H](C)CN(C)c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001694166123 1406047325 /nfs/dbraw/zinc/04/73/25/1406047325.db2.gz OADPCVCOCMYUMV-CQSZACIVSA-N 0 0 329.492 3.492 10 10 EGCERN CCc1nnc(N(CC)C2CC2)n1Cc1ccc(N(C)C)cc1C ZINC001694647876 1406058532 /nfs/dbraw/zinc/05/85/32/1406058532.db2.gz SDDZXCFNFCRTJK-UHFFFAOYSA-N 0 0 327.476 3.252 10 10 EGCERN C#C[C@H](C)N(C)c1nnc(C(C)C)n1CCCSc1nccs1 ZINC001705474951 1417123273 /nfs/dbraw/zinc/12/32/73/1417123273.db2.gz MYHROTIBAJQMGG-ZDUSSCGKSA-N 0 0 349.529 3.498 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001724237218 1424747731 /nfs/dbraw/zinc/74/77/31/1424747731.db2.gz YFRLDWBFUNUGNQ-UKRRQHHQSA-N 0 0 327.476 3.244 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)C(C)C ZINC001741334675 1439503365 /nfs/dbraw/zinc/50/33/65/1439503365.db2.gz FDVSROIKRCEQEW-IBGZPJMESA-N 0 0 346.475 3.151 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)C(C)C ZINC001741334676 1439503406 /nfs/dbraw/zinc/50/34/06/1439503406.db2.gz FDVSROIKRCEQEW-LJQANCHMSA-N 0 0 346.475 3.151 10 10 EGCERN Cc1cscc1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001742542101 1439515490 /nfs/dbraw/zinc/51/54/90/1439515490.db2.gz UTTJVLQSHAZZIM-UHFFFAOYSA-N 0 0 328.441 3.347 10 10 EGCERN Cc1cc(N(C)C)ccc1Cn1c(CC2CC2)nnc1N(C)C1CC1 ZINC001761697676 1441373219 /nfs/dbraw/zinc/37/32/19/1441373219.db2.gz CCKYRQDNLWXBFZ-UHFFFAOYSA-N 0 0 339.487 3.252 10 10 EGCERN COc1ccc(N2CCCN(C(=O)c3ccc(C)nc3C)CC2)cc1 ZINC000055877113 214345740 /nfs/dbraw/zinc/34/57/40/214345740.db2.gz BBLCYUWRVYSOQL-UHFFFAOYSA-N 0 0 339.439 3.060 10 10 EGCERN Cc1cc(C(=O)Nc2ccccc2CC(N)=O)c(C)n1-c1ccccc1 ZINC000047256328 213838504 /nfs/dbraw/zinc/83/85/04/213838504.db2.gz XFHUCMPDBGHKOG-UHFFFAOYSA-N 0 0 347.418 3.374 10 10 EGCERN Cc1csc([C@H](C)NC(=O)NCCCSc2nccs2)n1 ZINC000089705319 217830197 /nfs/dbraw/zinc/83/01/97/217830197.db2.gz TYQZEINOJXWQOV-JTQLQIEISA-N 0 0 342.515 3.451 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(C)=O)c1 ZINC000009157362 211047350 /nfs/dbraw/zinc/04/73/50/211047350.db2.gz UUSXAYOSUORGTB-UHFFFAOYSA-N 0 0 339.439 3.373 10 10 EGCERN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccco1 ZINC000005824304 210543554 /nfs/dbraw/zinc/54/35/54/210543554.db2.gz KNKOFJLWECLZIL-LFIBNONCSA-N 0 0 339.347 3.165 10 10 EGCERN CSCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173022321 455221119 /nfs/dbraw/zinc/22/11/19/455221119.db2.gz WHDHZVYGMUWLMA-GFCCVEGCSA-N 0 0 344.427 3.126 10 10 EGCERN Cn1cc(C[N@H+](C)Cc2cccc(Cl)c2[O-])c(C(F)(F)F)n1 ZINC000180771215 455242506 /nfs/dbraw/zinc/24/25/06/455242506.db2.gz XZZZBDHYDYJKDA-UHFFFAOYSA-N 0 0 333.741 3.430 10 10 EGCERN COc1ccc(F)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000183207069 455249950 /nfs/dbraw/zinc/24/99/50/455249950.db2.gz VWJHWCSFMDOROB-UHFFFAOYSA-N 0 0 345.374 3.331 10 10 EGCERN Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccccc3O)cc2)n[nH]1 ZINC000069627519 454127061 /nfs/dbraw/zinc/12/70/61/454127061.db2.gz HROTYFLCNDNZRJ-UHFFFAOYSA-N 0 0 337.383 3.150 10 10 EGCERN CCc1cccc2c(CC(=O)NCCc3ccc(O)c(O)c3)c[nH]c21 ZINC000122274240 454518398 /nfs/dbraw/zinc/51/83/98/454518398.db2.gz QJXKZCXRLNXDAN-UHFFFAOYSA-N 0 0 338.407 3.043 10 10 EGCERN COc1cc(N(C)Cc2cccc(NC(C)=O)c2)cc(OC)c1OC ZINC000125687264 454839514 /nfs/dbraw/zinc/83/95/14/454839514.db2.gz FBJANJYJKFFGFB-UHFFFAOYSA-N 0 0 344.411 3.307 10 10 EGCERN COc1cc(N(C)C[C@@H](O)c2ccccc2F)cc(OC)c1OC ZINC000125775716 454845616 /nfs/dbraw/zinc/84/56/16/454845616.db2.gz HSAYTMUCKNMKCU-OAHLLOKOSA-N 0 0 335.375 3.021 10 10 EGCERN COc1ccc(O)c(CN[C@H](c2noc(C)n2)c2ccccc2F)c1 ZINC000182243990 455470958 /nfs/dbraw/zinc/47/09/58/455470958.db2.gz PHUPMGKMCDLBQT-KRWDZBQOSA-N 0 0 343.358 3.111 10 10 EGCERN CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)cc1 ZINC000179614621 455061841 /nfs/dbraw/zinc/06/18/41/455061841.db2.gz WWAGTLPIXYOKNL-UHFFFAOYSA-N 0 0 332.831 3.346 10 10 EGCERN Cc1ccccc1SCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183472613 455296811 /nfs/dbraw/zinc/29/68/11/455296811.db2.gz KUEOAKVIGFCGFJ-ZDUSSCGKSA-N 0 0 331.437 3.246 10 10 EGCERN O=C(c1ccccc1)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000264945667 455297896 /nfs/dbraw/zinc/29/78/96/455297896.db2.gz ILKPMYRPGPWIKF-UHFFFAOYSA-N 0 0 344.842 3.440 10 10 EGCERN COc1ccc(OC)c(CN(C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000266009866 455420766 /nfs/dbraw/zinc/42/07/66/455420766.db2.gz ROLSMSUANOVEIP-UHFFFAOYSA-N 0 0 347.411 3.366 10 10 EGCERN C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])N1CCOCC1 ZINC000184936001 455475148 /nfs/dbraw/zinc/47/51/48/455475148.db2.gz CJKUIGGBEGBSOP-QWRGUYRKSA-N 0 0 333.259 3.070 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCc3c(nc(C(C)C)n3C)C2)c1O ZINC000175655853 455478365 /nfs/dbraw/zinc/47/83/65/455478365.db2.gz YWNMIUPMZNYUDC-UHFFFAOYSA-N 0 0 345.418 3.149 10 10 EGCERN C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185332985 455541016 /nfs/dbraw/zinc/54/10/16/455541016.db2.gz ZPTICAFYCBHWTN-VIFPVBQESA-N 0 0 333.215 3.192 10 10 EGCERN COc1ccc(O)c([C@@H](C)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000192929308 455720427 /nfs/dbraw/zinc/72/04/27/455720427.db2.gz OEWCLKZUCFMNGH-GFCCVEGCSA-N 0 0 326.396 3.466 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccc1O ZINC000193630512 455767838 /nfs/dbraw/zinc/76/78/38/455767838.db2.gz VLAACXNCFXTPIP-UHFFFAOYSA-N 0 0 326.440 3.440 10 10 EGCERN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293638569 455793252 /nfs/dbraw/zinc/79/32/52/455793252.db2.gz NTZKJJPTEAARFK-ZSMADZGOSA-N 0 0 333.856 3.354 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000294591290 455820789 /nfs/dbraw/zinc/82/07/89/455820789.db2.gz HKQOEBFCQZCNNM-UWVGGRQHSA-N 0 0 341.732 3.177 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295867078 455861666 /nfs/dbraw/zinc/86/16/66/455861666.db2.gz YSLGZNXVTDVXEB-BVBGJJFLSA-N 0 0 348.399 3.032 10 10 EGCERN Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280527278 455989515 /nfs/dbraw/zinc/98/95/15/455989515.db2.gz RLCLSRLDPBFNSC-ZDUSSCGKSA-N 0 0 325.836 3.124 10 10 EGCERN CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cccc(Cl)c1[O-] ZINC000286967532 456057962 /nfs/dbraw/zinc/05/79/62/456057962.db2.gz IFFUJIULKWOPIN-BYCMXARLSA-N 0 0 329.868 3.244 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)NCCc1ncccc1C ZINC000297418636 456216165 /nfs/dbraw/zinc/21/61/65/456216165.db2.gz HHVTUMBYMBFDRP-UHFFFAOYSA-N 0 0 327.428 3.260 10 10 EGCERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)c1 ZINC000302084007 456282846 /nfs/dbraw/zinc/28/28/46/456282846.db2.gz KEJSFOMENRJGMV-UHFFFAOYSA-N 0 0 329.356 3.060 10 10 EGCERN COc1ccc(N2CCN(c3ncnc4c(F)cccc43)CC2)cc1 ZINC000302811838 456406679 /nfs/dbraw/zinc/40/66/79/456406679.db2.gz YZYMXCNTQHSLPY-UHFFFAOYSA-N 0 0 338.386 3.104 10 10 EGCERN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccnnc3)cc2Cl)C1 ZINC000282323955 456476915 /nfs/dbraw/zinc/47/69/15/456476915.db2.gz UYTOGYWSYJWQPA-ZDUSSCGKSA-N 0 0 344.846 3.296 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC1=CCCC1 ZINC000277167822 456704916 /nfs/dbraw/zinc/70/49/16/456704916.db2.gz BPYGVQKRRUGUQA-UHFFFAOYSA-N 0 0 334.803 3.310 10 10 EGCERN C[C@@H]1COCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000277294834 456764896 /nfs/dbraw/zinc/76/48/96/456764896.db2.gz ANLNCWXHKLXJLU-APWZRJJASA-N 0 0 345.487 3.243 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCOC3)c(C)n1-c1ccccn1 ZINC000375321273 457880823 /nfs/dbraw/zinc/88/08/23/457880823.db2.gz PKQSHUNDXULIJI-HXUWFJFHSA-N 0 0 339.439 3.132 10 10 EGCERN COC(=O)C[C@H]1CN(C(=O)/C=C/c2cncc(C)c2)c2ccccc21 ZINC000372091059 458190596 /nfs/dbraw/zinc/19/05/96/458190596.db2.gz VWBVVIIJZVCMSN-WAVCKPEOSA-N 0 0 336.391 3.097 10 10 EGCERN O=C(NCc1ccccc1O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377381699 458498464 /nfs/dbraw/zinc/49/84/64/458498464.db2.gz VOKLWCXCZFYWEU-SJLPKXTDSA-N 0 0 326.396 3.112 10 10 EGCERN Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c(O)c1O ZINC000530047126 458671573 /nfs/dbraw/zinc/67/15/73/458671573.db2.gz BAXSWGLNDDSUMV-NWANDNLSSA-N 0 0 329.783 3.128 10 10 EGCERN C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1[O-] ZINC000530218315 458721927 /nfs/dbraw/zinc/72/19/27/458721927.db2.gz VWSNLHJPDSURCU-ZANVPECISA-N 0 0 343.240 3.229 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528996788 459820180 /nfs/dbraw/zinc/82/01/80/459820180.db2.gz PWNCGTIBWBTOOF-OAUYIBNBSA-N 0 0 343.398 3.478 10 10 EGCERN COC(=O)CCNC(=O)/C=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000096035505 523085999 /nfs/dbraw/zinc/08/59/99/523085999.db2.gz SLEVCPZJZFSNKM-YFHOEESVSA-N 0 0 340.423 3.095 10 10 EGCERN CSCCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000726234138 574546776 /nfs/dbraw/zinc/54/67/76/574546776.db2.gz MFFGSBYULKVFBH-UHFFFAOYSA-N 0 0 331.485 3.299 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000729050509 574809018 /nfs/dbraw/zinc/80/90/18/574809018.db2.gz WGULICARKRHRGC-XJKSGUPXSA-N 0 0 340.423 3.319 10 10 EGCERN COC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000730884914 575033069 /nfs/dbraw/zinc/03/30/69/575033069.db2.gz QHBOLLOVWNNPQC-UHFFFAOYSA-N 0 0 329.396 3.245 10 10 EGCERN CCN(CC(=O)Nc1nc2c(s1)CCC2)c1ccc(OC)cc1 ZINC000736308338 575931543 /nfs/dbraw/zinc/93/15/43/575931543.db2.gz IFBSRJRTYRUHTD-UHFFFAOYSA-N 0 0 331.441 3.105 10 10 EGCERN CCN(C)c1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000741754043 576717554 /nfs/dbraw/zinc/71/75/54/576717554.db2.gz GNOAJKAYOURVCW-UHFFFAOYSA-N 0 0 343.515 3.367 10 10 EGCERN CN(C)c1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000033463105 1291385763 /nfs/dbraw/zinc/38/57/63/1291385763.db2.gz WZARJHUORXAWOS-NTMALXAHSA-N 0 0 336.351 3.068 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Cc2cccc(O)c2)cc1F ZINC000066931706 1292135431 /nfs/dbraw/zinc/13/54/31/1292135431.db2.gz HTZZMHQQMFTICR-UHFFFAOYSA-N 0 0 330.403 3.236 10 10 EGCERN COC[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000103615529 1293010454 /nfs/dbraw/zinc/01/04/54/1293010454.db2.gz ZWCHYBXETCJZDW-DYVFJYSZSA-N 0 0 344.411 3.149 10 10 EGCERN CCCCCCOCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000107586010 1293070662 /nfs/dbraw/zinc/07/06/62/1293070662.db2.gz MTMHKNAOZWUODD-UHFFFAOYSA-N 0 0 348.487 3.377 10 10 EGCERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(-n2cccn2)cc1 ZINC000180833698 1294920093 /nfs/dbraw/zinc/92/00/93/1294920093.db2.gz BPDHFKKSXCJILL-DEYRLNKFSA-N 0 0 349.390 3.174 10 10 EGCERN C/C(=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000183460669 1295122537 /nfs/dbraw/zinc/12/25/37/1295122537.db2.gz JDZPBARHIPLBJO-RPHSKFLZSA-N 0 0 329.371 3.388 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000186442865 1295328462 /nfs/dbraw/zinc/32/84/62/1295328462.db2.gz FJYSZDCWRIKDKA-GFCCVEGCSA-N 0 0 343.427 3.230 10 10 EGCERN CO[C@H]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000188281724 1295448785 /nfs/dbraw/zinc/44/87/85/1295448785.db2.gz VYVHQEBOXLQGAN-AEFFLSMTSA-N 0 0 337.423 3.263 10 10 EGCERN COc1ccc(N2CCN(C(=O)N(C)c3ccc(F)cc3)CC2)cc1 ZINC000190443157 1295589216 /nfs/dbraw/zinc/58/92/16/1295589216.db2.gz HNIHEJKHLGWNEO-UHFFFAOYSA-N 0 0 343.402 3.213 10 10 EGCERN Oc1ccc2oc3c(c2c1CN1CCO[C@H](C(F)F)C1)CCCC3 ZINC000193439058 1295868572 /nfs/dbraw/zinc/86/85/72/1295868572.db2.gz GGDAWMSGWUPEPW-INIZCTEOSA-N 0 0 337.366 3.483 10 10 EGCERN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1Cc2cccc(O)c2C1 ZINC000871198306 1296268921 /nfs/dbraw/zinc/26/89/21/1296268921.db2.gz GUONJKKJABMDAS-ZDUSSCGKSA-N 0 0 329.783 3.139 10 10 EGCERN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC000871204804 1296271451 /nfs/dbraw/zinc/27/14/51/1296271451.db2.gz LGPFFYOHTLXUFY-LBPRGKRZSA-N 0 0 346.427 3.022 10 10 EGCERN CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708075794 1298233175 /nfs/dbraw/zinc/23/31/75/1298233175.db2.gz PHLBPKJYQPUKNA-LLVKDONJSA-N 0 0 334.641 3.419 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000890762450 1304873729 /nfs/dbraw/zinc/87/37/29/1304873729.db2.gz CXFUQMVQRADRKS-WBVHZDCISA-N 0 0 345.826 3.452 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC12CCOCC2 ZINC000894570660 1308959687 /nfs/dbraw/zinc/95/96/87/1308959687.db2.gz DPUUWSROJAAKOS-UHFFFAOYSA-N 0 0 330.197 3.049 10 10 EGCERN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000895477431 1309357684 /nfs/dbraw/zinc/35/76/84/1309357684.db2.gz UQJJNJYAQVHHHM-OAHLLOKOSA-N 0 0 348.349 3.128 10 10 EGCERN CCOC[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896352550 1309817692 /nfs/dbraw/zinc/81/76/92/1309817692.db2.gz LDHQPBQGEHYPIW-LLVKDONJSA-N 0 0 335.425 3.201 10 10 EGCERN C[C@H](CCO)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897310403 1310283634 /nfs/dbraw/zinc/28/36/34/1310283634.db2.gz ROWQBJYEOFDORM-LLVKDONJSA-N 0 0 349.452 3.231 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](OCC2CC2)C1 ZINC000897444388 1310340756 /nfs/dbraw/zinc/34/07/56/1310340756.db2.gz DGXKMLVNWRKGGI-CYBMUJFWSA-N 0 0 347.436 3.344 10 10 EGCERN C[C@@](O)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CCCCC1 ZINC000897548928 1310374366 /nfs/dbraw/zinc/37/43/66/1310374366.db2.gz FTPUNFHIPAYDMF-GOSISDBHSA-N 0 0 349.452 3.374 10 10 EGCERN O=C(N[C@@H]1CCCC12CCOCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897671196 1310428678 /nfs/dbraw/zinc/42/86/78/1310428678.db2.gz UXNZADDUDJMCRI-MRXNPFEDSA-N 0 0 347.436 3.392 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H](C2CCC2)C1 ZINC000897831838 1310482217 /nfs/dbraw/zinc/48/22/17/1310482217.db2.gz SWBVBXKGRIVRPW-CYBMUJFWSA-N 0 0 347.436 3.201 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)c3ccn4ccccc34)C2)cc1 ZINC000898006990 1310548851 /nfs/dbraw/zinc/54/88/51/1310548851.db2.gz JLLHKHWNGJMXHZ-INIZCTEOSA-N 0 0 349.434 3.204 10 10 EGCERN CC1(C)[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1(F)F ZINC000898978492 1310897265 /nfs/dbraw/zinc/89/72/65/1310897265.db2.gz VCFYNALLTGYUQB-LBPRGKRZSA-N 0 0 327.352 3.334 10 10 EGCERN O=C(NC[C@H]1CCC12CCOCC2)c1cc2cc(O)c(O)cc2s1 ZINC000899177039 1310967268 /nfs/dbraw/zinc/96/72/68/1310967268.db2.gz JFQNSNCODIYWNV-GFCCVEGCSA-N 0 0 347.436 3.249 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)n1cccn1 ZINC000857575723 1328551830 /nfs/dbraw/zinc/55/18/30/1328551830.db2.gz RWBAJGSFPDJBNU-UHFFFAOYSA-N 0 0 328.460 3.121 10 10 EGCERN Cc1ccc(O[C@@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)nc1 ZINC000858015342 1328659278 /nfs/dbraw/zinc/65/92/78/1328659278.db2.gz ZKTFMRKAQJXDPX-OAHLLOKOSA-N 0 0 347.409 3.388 10 10 EGCERN O=C1Nc2ccc(NCc3ccc(N4CCOCC4)cc3)cc2CO1 ZINC000858243814 1328721146 /nfs/dbraw/zinc/72/11/46/1328721146.db2.gz PBAJVBAEGYTPQH-UHFFFAOYSA-N 0 0 339.395 3.197 10 10 EGCERN COc1cccc(CNc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c1O ZINC000858311199 1328734790 /nfs/dbraw/zinc/73/47/90/1328734790.db2.gz GNDPHJPWLNIFJU-LBPRGKRZSA-N 0 0 326.396 3.483 10 10 EGCERN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2nccnc2F)C1 ZINC000858405858 1328754406 /nfs/dbraw/zinc/75/44/06/1328754406.db2.gz STJDALFEFYSWQY-CYBMUJFWSA-N 0 0 336.798 3.051 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000858464387 1328768622 /nfs/dbraw/zinc/76/86/22/1328768622.db2.gz LTCRUXPRJOSBFT-IEBWSBKVSA-N 0 0 340.423 3.420 10 10 EGCERN C[C@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1O ZINC000913763366 1319118347 /nfs/dbraw/zinc/11/83/47/1319118347.db2.gz DJPXSSJIGRYRAV-ZDUSSCGKSA-N 0 0 339.391 3.072 10 10 EGCERN CC(C)(C)NC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000915217214 1319445809 /nfs/dbraw/zinc/44/58/09/1319445809.db2.gz QDSCARADBMMAES-UHFFFAOYSA-N 0 0 330.350 3.253 10 10 EGCERN O=C(NCc1c(O)cccc1F)Nc1ccccc1O[C@@H]1CCOC1 ZINC000930373861 1328844453 /nfs/dbraw/zinc/84/44/53/1328844453.db2.gz NYZRGRNFOJTGFH-GFCCVEGCSA-N 0 0 346.358 3.021 10 10 EGCERN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000918642902 1319981621 /nfs/dbraw/zinc/98/16/21/1319981621.db2.gz FYLQMLDZIGBXCM-MRXNPFEDSA-N 0 0 340.423 3.038 10 10 EGCERN Cc1cc(CNC(=O)N2CC[C@H](O)C2(C)C)c(C)n1-c1ccccc1 ZINC000858906610 1328888185 /nfs/dbraw/zinc/88/81/85/1328888185.db2.gz OKFJFCNTYCCVCR-SFHVURJKSA-N 0 0 341.455 3.149 10 10 EGCERN COC(=O)c1cnc(CN(CCC(C)C)c2ccc(OC)cc2)cn1 ZINC000859289881 1328962458 /nfs/dbraw/zinc/96/24/58/1328962458.db2.gz KMYQDQXKXGJSSI-UHFFFAOYSA-N 0 0 343.427 3.325 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000919081152 1322025849 /nfs/dbraw/zinc/02/58/49/1322025849.db2.gz IIJUUODZSZXACN-GXTWGEPZSA-N 0 0 329.366 3.059 10 10 EGCERN C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nccs2)CC1 ZINC000919675395 1322092637 /nfs/dbraw/zinc/09/26/37/1322092637.db2.gz DFHWVXPQVXQYER-CQSZACIVSA-N 0 0 347.509 3.141 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12C[C@H]1COC21CCC1 ZINC000930905331 1329002774 /nfs/dbraw/zinc/00/27/74/1329002774.db2.gz DQBKFEPIUURCJM-JXFKEZNVSA-N 0 0 328.456 3.060 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]12CCO[C@H]1CCCC2 ZINC000930905484 1329002800 /nfs/dbraw/zinc/00/28/00/1329002800.db2.gz HIEZDRVNNCOJSL-ICSRJNTNSA-N 0 0 330.472 3.450 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000919919372 1322117388 /nfs/dbraw/zinc/11/73/88/1322117388.db2.gz ZJKVMQFFTCRIOV-DZGCQCFKSA-N 0 0 339.361 3.060 10 10 EGCERN CC(C)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1cccnc1 ZINC000921366516 1322301945 /nfs/dbraw/zinc/30/19/45/1322301945.db2.gz NZWNRVLLMXDJIK-CQSZACIVSA-N 0 0 331.391 3.165 10 10 EGCERN CC(C)c1nnc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cn21 ZINC000931024591 1329031010 /nfs/dbraw/zinc/03/10/10/1329031010.db2.gz MEFPEEVGQZVQEW-UHFFFAOYSA-N 0 0 337.383 3.106 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922456419 1322531942 /nfs/dbraw/zinc/53/19/42/1322531942.db2.gz BRTXLBQPSFMDEE-CPCISQLKSA-N 0 0 327.705 3.384 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922456421 1322531863 /nfs/dbraw/zinc/53/18/63/1322531863.db2.gz BRTXLBQPSFMDEE-HQJQHLMTSA-N 0 0 327.705 3.384 10 10 EGCERN CCCOc1ccc(CNC2(c3ncccn3)CCOCC2)cc1C ZINC000923011131 1322673831 /nfs/dbraw/zinc/67/38/31/1322673831.db2.gz KPDRLHSPUXKFDK-UHFFFAOYSA-N 0 0 341.455 3.369 10 10 EGCERN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc2c(c1)CCCO2 ZINC000923358622 1322739937 /nfs/dbraw/zinc/73/99/37/1322739937.db2.gz IZEKOXKPXRWINP-LBPRGKRZSA-N 0 0 344.386 3.417 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCc3nc[nH]c3C23CCC3)c1O ZINC000931676543 1329162384 /nfs/dbraw/zinc/16/23/84/1329162384.db2.gz ATZBMPKRBSIQOD-UHFFFAOYSA-N 0 0 345.830 3.409 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@@H]1C[C@H]1C1CC1 ZINC000925174233 1325071762 /nfs/dbraw/zinc/07/17/62/1325071762.db2.gz CDDNOZKPGIADGD-DOMZBBRYSA-N 0 0 348.830 3.246 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000926389352 1325536786 /nfs/dbraw/zinc/53/67/86/1325536786.db2.gz WOXALLAYKYOKSS-JSGCOSHPSA-N 0 0 346.349 3.034 10 10 EGCERN Cc1cc(NC(=O)NCc2cc(C)ccc2O)nn1[C@H](C)C1CC1 ZINC000860915980 1329369444 /nfs/dbraw/zinc/36/94/44/1329369444.db2.gz LIUATKUVGSNBNT-CYBMUJFWSA-N 0 0 328.416 3.498 10 10 EGCERN Cc1cc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])nn1C ZINC000926908776 1327770523 /nfs/dbraw/zinc/77/05/23/1327770523.db2.gz CKVQWFFTPYLPLA-LLVKDONJSA-N 0 0 327.350 3.346 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1OCCc2ccccc21 ZINC000927665315 1328096410 /nfs/dbraw/zinc/09/64/10/1328096410.db2.gz NICCBZWLUXNNMW-IBGZPJMESA-N 0 0 340.423 3.238 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)NCc1c(C)noc1CC ZINC000927832744 1328146967 /nfs/dbraw/zinc/14/69/67/1328146967.db2.gz IEALOSJGVSZUJY-UHFFFAOYSA-N 0 0 331.416 3.373 10 10 EGCERN CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1c(O)cccc1F ZINC000928711253 1328406182 /nfs/dbraw/zinc/40/61/82/1328406182.db2.gz MHUVRNOVGVJDSG-GFCCVEGCSA-N 0 0 337.782 3.087 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C1(c2cccnc2)CCCC1 ZINC000862026627 1329455731 /nfs/dbraw/zinc/45/57/31/1329455731.db2.gz VLKWYUGTPOIWBG-UHFFFAOYSA-N 0 0 347.418 3.464 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1noc2c1CCCCC2 ZINC000862026575 1329455893 /nfs/dbraw/zinc/45/58/93/1329455893.db2.gz SVNGEIGKWFSKQQ-UHFFFAOYSA-N 0 0 337.379 3.127 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c1 ZINC000862759302 1329506997 /nfs/dbraw/zinc/50/69/97/1329506997.db2.gz CFTKZWYGJDIZHD-CXAGYDPISA-N 0 0 338.407 3.225 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 ZINC000862759717 1329507468 /nfs/dbraw/zinc/50/74/68/1329507468.db2.gz JUVAUXGCBZPZKC-GUYCJALGSA-N 0 0 338.407 3.225 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000863068666 1329527547 /nfs/dbraw/zinc/52/75/47/1329527547.db2.gz MHZRMSLBESSHND-UHFFFAOYSA-N 0 0 347.440 3.199 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)C2([C@H]3CCCCO3)CCC2)cc1 ZINC000864633795 1329632561 /nfs/dbraw/zinc/63/25/61/1329632561.db2.gz LRWCUEGSRVBUKB-GOSISDBHSA-N 0 0 330.472 3.450 10 10 EGCERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000865027112 1329662667 /nfs/dbraw/zinc/66/26/67/1329662667.db2.gz HKVRVMSYUMAMCR-DLBZAZTESA-N 0 0 346.471 3.081 10 10 EGCERN CC(=O)c1cccc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000865451258 1329699177 /nfs/dbraw/zinc/69/91/77/1329699177.db2.gz WMMSVZQBPXNDBG-UHFFFAOYSA-N 0 0 339.439 3.105 10 10 EGCERN CCOC1CC2(C[C@@H]2C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC000865637288 1329723559 /nfs/dbraw/zinc/72/35/59/1329723559.db2.gz ZWHVKSQSGCHXEV-LFDOHDQPSA-N 0 0 348.462 3.493 10 10 EGCERN COc1ccc(N2CCC(NC(=O)OCCC(F)(F)F)CC2)cc1 ZINC000866710915 1330143915 /nfs/dbraw/zinc/14/39/15/1330143915.db2.gz XNPKAMJXRVUYEF-UHFFFAOYSA-N 0 0 346.349 3.343 10 10 EGCERN C[C@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1ccccc1O ZINC000867992524 1330238147 /nfs/dbraw/zinc/23/81/47/1330238147.db2.gz ONRIJAMFVDJEPF-ZDUSSCGKSA-N 0 0 338.411 3.262 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000868740661 1330329059 /nfs/dbraw/zinc/32/90/59/1330329059.db2.gz DNBJCBIASHYSKP-MELADBBJSA-N 0 0 348.443 3.263 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)C3(C(F)F)CCC3)C2)cc1 ZINC000868957180 1330381324 /nfs/dbraw/zinc/38/13/24/1330381324.db2.gz XQLOMMRQXFJSJY-ZDUSSCGKSA-N 0 0 338.398 3.073 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC12CCOCC2 ZINC000869034310 1330398892 /nfs/dbraw/zinc/39/88/92/1330398892.db2.gz WGVPISXJUKXGEQ-ZDUSSCGKSA-N 0 0 338.835 3.052 10 10 EGCERN CCOc1ccc(CN2CCCc3cc(OC)cc(OC)c32)nc1 ZINC001195180202 1368395241 /nfs/dbraw/zinc/39/52/41/1368395241.db2.gz RTKDYAZHDBCAEF-UHFFFAOYSA-N 0 0 328.412 3.450 10 10 EGCERN Cc1cnc([C@@H](NC(=O)NCc2c(O)cccc2F)C2CC2)s1 ZINC001119609457 1371374892 /nfs/dbraw/zinc/37/48/92/1371374892.db2.gz POVRALMKESIBJK-AWEZNQCLSA-N 0 0 335.404 3.247 10 10 EGCERN CCCc1nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)co1 ZINC001124622762 1372717480 /nfs/dbraw/zinc/71/74/80/1372717480.db2.gz UOXAQQHCCBATKR-UHFFFAOYSA-N 0 0 327.428 3.500 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cccc3c2OCC3(C)C)cc1F ZINC001125469487 1372792783 /nfs/dbraw/zinc/79/27/83/1372792783.db2.gz QVPSGJKUFCSRDP-UHFFFAOYSA-N 0 0 342.414 3.492 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)cc1 ZINC001131030548 1373628504 /nfs/dbraw/zinc/62/85/04/1373628504.db2.gz SETUCICDJMUETN-RLFYNMQTSA-N 0 0 330.472 3.462 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001135690198 1377184505 /nfs/dbraw/zinc/18/45/05/1377184505.db2.gz RQVDFQIWUHYXSI-UHFFFAOYSA-N 0 0 339.399 3.187 10 10 EGCERN CC(C)C1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)COC1 ZINC001135745856 1377199595 /nfs/dbraw/zinc/19/95/95/1377199595.db2.gz HDKCACKRDJMQNK-UHFFFAOYSA-N 0 0 330.472 3.308 10 10 EGCERN CCc1ccc(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)nc1 ZINC001136025610 1377303232 /nfs/dbraw/zinc/30/32/32/1377303232.db2.gz QPLJQAGCWOMRCK-UHFFFAOYSA-N 0 0 337.467 3.445 10 10 EGCERN CC(C)(C)c1nnc(C(=O)NCCCSc2nccs2)s1 ZINC001136661509 1377413880 /nfs/dbraw/zinc/41/38/80/1377413880.db2.gz HGSNVHWAYRSLPI-UHFFFAOYSA-N 0 0 342.515 3.204 10 10 EGCERN Cc1ccc(Cc2nnc(NC(=O)c3cccc(O)c3O)s2)cc1 ZINC001136741064 1377418982 /nfs/dbraw/zinc/41/89/82/1377418982.db2.gz OCRVBOUJBKVDPE-UHFFFAOYSA-N 0 0 341.392 3.101 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCn2cccc2)ccc1C ZINC001137028072 1377461308 /nfs/dbraw/zinc/46/13/08/1377461308.db2.gz VOLUHKMOKUKHAM-UHFFFAOYSA-N 0 0 349.434 3.447 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]nc1-c1ccco1 ZINC001137443097 1377548391 /nfs/dbraw/zinc/54/83/91/1377548391.db2.gz BUHQGFNLLZZVTK-UHFFFAOYSA-N 0 0 337.379 3.184 10 10 EGCERN COc1cccc(C(F)F)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC001137464733 1377552072 /nfs/dbraw/zinc/55/20/72/1377552072.db2.gz MYMWNLWRRJLPSG-UHFFFAOYSA-N 0 0 337.322 3.017 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001137473692 1377553938 /nfs/dbraw/zinc/55/39/38/1377553938.db2.gz RUAGJQDLBPMKSZ-SNVBAGLBSA-N 0 0 348.330 3.248 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001137473691 1377554035 /nfs/dbraw/zinc/55/40/35/1377554035.db2.gz RUAGJQDLBPMKSZ-JTQLQIEISA-N 0 0 348.330 3.248 10 10 EGCERN CCCN1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccc(F)cc21 ZINC001138217426 1377690583 /nfs/dbraw/zinc/69/05/83/1377690583.db2.gz HFFJHUOTQMZUHH-UTCJRWHESA-N 0 0 341.386 3.203 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H](CO)[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC001139270576 1377860265 /nfs/dbraw/zinc/86/02/65/1377860265.db2.gz ZGASCZAPEBGXAG-RDJZCZTQSA-N 0 0 326.440 3.245 10 10 EGCERN CS(C)(=O)=Nc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001141575795 1378345783 /nfs/dbraw/zinc/34/57/83/1378345783.db2.gz ONIVFLWJURFLRC-WMZJFQQLSA-N 0 0 346.408 3.109 10 10 EGCERN C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001141737620 1378368481 /nfs/dbraw/zinc/36/84/81/1378368481.db2.gz BHWLGQNEBYUKPA-GWCFXTLKSA-N 0 0 345.270 3.436 10 10 EGCERN O=C(CCc1cccc(C(F)(F)F)c1)NCc1ccc(O)cc1O ZINC001142532964 1378454628 /nfs/dbraw/zinc/45/46/28/1378454628.db2.gz ASDOVBNCRFTTGY-UHFFFAOYSA-N 0 0 339.313 3.366 10 10 EGCERN COc1cc2nc(C)sc2cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001143361609 1378587134 /nfs/dbraw/zinc/58/71/34/1378587134.db2.gz QKQHPKUJNXAULO-UHFFFAOYSA-N 0 0 344.392 3.206 10 10 EGCERN Nc1c(Cl)cc(F)cc1C(=O)NCCCSc1nccs1 ZINC001144322147 1378717203 /nfs/dbraw/zinc/71/72/03/1378717203.db2.gz JEXYUDHYGRMWJQ-UHFFFAOYSA-N 0 0 345.852 3.430 10 10 EGCERN CC(=O)Nc1c(C)cccc1C(=O)NCc1cc(Cl)ccc1O ZINC001146231255 1378799646 /nfs/dbraw/zinc/79/96/46/1378799646.db2.gz DESDWZHCGMPKBX-UHFFFAOYSA-N 0 0 332.787 3.242 10 10 EGCERN COc1ccc2c(c1)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001147547059 1379040868 /nfs/dbraw/zinc/04/08/68/1379040868.db2.gz GTSSGEPQHIPFBA-UHFFFAOYSA-N 0 0 338.367 3.056 10 10 EGCERN O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)C1=CC(=O)CS1 ZINC001149011607 1379311234 /nfs/dbraw/zinc/31/12/34/1379311234.db2.gz MYUYHBHNUIXFEA-AWEZNQCLSA-N 0 0 347.827 3.323 10 10 EGCERN CCOc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)on1 ZINC001149857978 1379457336 /nfs/dbraw/zinc/45/73/36/1379457336.db2.gz TXYUQWNDXWZTID-UHFFFAOYSA-N 0 0 342.351 3.215 10 10 EGCERN C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC001150544026 1379564682 /nfs/dbraw/zinc/56/46/82/1379564682.db2.gz XOPCEIFAWFOZHO-LBPRGKRZSA-N 0 0 340.379 3.016 10 10 EGCERN CCNc1ncc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1Cl ZINC001150543840 1379564996 /nfs/dbraw/zinc/56/49/96/1379564996.db2.gz VLLSHPLFYDAZMN-SNVBAGLBSA-N 0 0 349.818 3.372 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC001153879320 1380148171 /nfs/dbraw/zinc/14/81/71/1380148171.db2.gz JYBXYYCQRKUOAF-UHFFFAOYSA-N 0 0 336.391 3.388 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ocnc1-c1ccccc1 ZINC001154026099 1380183704 /nfs/dbraw/zinc/18/37/04/1380183704.db2.gz LLTSFDYQVRYQLI-LBPRGKRZSA-N 0 0 338.363 3.114 10 10 EGCERN O=C(NCc1c(O)cccc1F)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001156164127 1380534340 /nfs/dbraw/zinc/53/43/40/1380534340.db2.gz NSSXOEQJGCPJKT-NSHDSACASA-N 0 0 335.762 3.052 10 10 EGCERN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1c(O)cccc1O ZINC001156880959 1380715829 /nfs/dbraw/zinc/71/58/29/1380715829.db2.gz JDENPVDWHVXTPJ-HNNXBMFYSA-N 0 0 335.787 3.225 10 10 EGCERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041761 1380758226 /nfs/dbraw/zinc/75/82/26/1380758226.db2.gz MOYNJZVMSMCFDI-GFCCVEGCSA-N 0 0 344.411 3.075 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC001157101833 1380776493 /nfs/dbraw/zinc/77/64/93/1380776493.db2.gz FIDVBMATYGXGAF-KBPBESRZSA-N 0 0 326.433 3.089 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)[C@@H](c1ccccc1)n1cccn1 ZINC001159033623 1381526559 /nfs/dbraw/zinc/52/65/59/1381526559.db2.gz KWCSJYCKASFTLU-MRXNPFEDSA-N 0 0 341.798 3.148 10 10 EGCERN CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001160600139 1382150002 /nfs/dbraw/zinc/15/00/02/1382150002.db2.gz POLJAXDCGBTZET-LLVKDONJSA-N 0 0 345.270 3.436 10 10 EGCERN CCc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001292939757 1382234489 /nfs/dbraw/zinc/23/44/89/1382234489.db2.gz IFBZZKLSORFQTD-UONOGXRCSA-N 0 0 345.466 3.329 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@H](O)C1 ZINC001163232154 1383000883 /nfs/dbraw/zinc/00/08/83/1383000883.db2.gz PFDVRVNCIUGVMV-CJNGLKHVSA-N 0 0 340.379 3.399 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C(=O)OCC)C(C)C ZINC001297006077 1383104454 /nfs/dbraw/zinc/10/44/54/1383104454.db2.gz RTUBHLJLKGJNMO-KRWDZBQOSA-N 0 0 335.444 3.356 10 10 EGCERN Cc1ccc(O)c(CNc2cc(-c3ccccc3)nc3ncnn32)c1 ZINC001163754494 1383118317 /nfs/dbraw/zinc/11/83/17/1383118317.db2.gz QUEUZIORDRSHMG-UHFFFAOYSA-N 0 0 331.379 3.417 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001165508543 1383304741 /nfs/dbraw/zinc/30/47/41/1383304741.db2.gz SALMDYYVIYPMJV-UHFFFAOYSA-N 0 0 345.742 3.365 10 10 EGCERN CC1(C)CCCc2sc(NC(=O)Cc3ccc(O)c(O)c3)nc21 ZINC001298854701 1383440456 /nfs/dbraw/zinc/44/04/56/1383440456.db2.gz KDFVYJSKLHOLRI-UHFFFAOYSA-N 0 0 332.425 3.349 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(F)cc1N ZINC001299478528 1383539263 /nfs/dbraw/zinc/53/92/63/1383539263.db2.gz OTUVZGUHIOKDIY-CYBMUJFWSA-N 0 0 329.419 3.143 10 10 EGCERN Cc1ccc2c(CC(=O)NCc3ccc(O)cc3O)coc2c1C ZINC001299571216 1383572711 /nfs/dbraw/zinc/57/27/11/1383572711.db2.gz RZYSAGMWKBLSDZ-UHFFFAOYSA-N 0 0 325.364 3.320 10 10 EGCERN COc1cccc2c1[C@@H](C(=O)NCc1ccc3cccnc3c1O)CC2 ZINC001299724015 1383623699 /nfs/dbraw/zinc/62/36/99/1383623699.db2.gz BDQZTTBYFNULGC-INIZCTEOSA-N 0 0 348.402 3.295 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC001301140458 1383698133 /nfs/dbraw/zinc/69/81/33/1383698133.db2.gz NLWVDHAACURECG-HNNXBMFYSA-N 0 0 335.306 3.065 10 10 EGCERN Cc1ccccc1C(F)(F)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001301433629 1383715260 /nfs/dbraw/zinc/71/52/60/1383715260.db2.gz DCBFLGNLEDDFJK-VQHVLOKHSA-N 0 0 333.334 3.328 10 10 EGCERN Cc1ccc2c(c1Br)CN(C(=O)c1cccc(O)c1O)C2 ZINC001167776252 1383737828 /nfs/dbraw/zinc/73/78/28/1383737828.db2.gz VDLCPGZHVMGZMN-UHFFFAOYSA-N 0 0 348.196 3.325 10 10 EGCERN O=C(NCc1cccc(O)c1O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC001303194593 1383787478 /nfs/dbraw/zinc/78/74/78/1383787478.db2.gz GKIWNHWQNGFMSP-UHFFFAOYSA-N 0 0 349.799 3.133 10 10 EGCERN CN(C)C(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001304089833 1383828917 /nfs/dbraw/zinc/82/89/17/1383828917.db2.gz NRSPSZKVFGCXMD-UHFFFAOYSA-N 0 0 348.402 3.177 10 10 EGCERN CN(C)c1ccc(CN(c2nc(Cl)nc3nc[nH]c32)C2CC2)cc1 ZINC001306936549 1383923287 /nfs/dbraw/zinc/92/32/87/1383923287.db2.gz BFRMFFFJDGOPME-UHFFFAOYSA-N 0 0 342.834 3.241 10 10 EGCERN COc1ccc(N2CCN(c3nc4ccccc4nc3F)CC2)cc1 ZINC001306998381 1383931590 /nfs/dbraw/zinc/93/15/90/1383931590.db2.gz BIDCTKMLRHNTCM-UHFFFAOYSA-N 0 0 338.386 3.104 10 10 EGCERN CC1(C)[C@H](O)C[C@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307103553 1383941045 /nfs/dbraw/zinc/94/10/45/1383941045.db2.gz LACZLBAMKTXCRB-IAGOWNOFSA-N 0 0 340.379 3.397 10 10 EGCERN Nc1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 ZINC001307219061 1383959677 /nfs/dbraw/zinc/95/96/77/1383959677.db2.gz SPGZGNFSFAHWMD-UHFFFAOYSA-N 0 0 348.362 3.415 10 10 EGCERN COc1ccc2c(c1)C[C@H](CN(C)c1ccc(OC)c(OC)c1)O2 ZINC001307443162 1383991513 /nfs/dbraw/zinc/99/15/13/1383991513.db2.gz VDMZPPVSNRDFGI-MRXNPFEDSA-N 0 0 329.396 3.152 10 10 EGCERN COCC(C)(C)NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001313132668 1384398534 /nfs/dbraw/zinc/39/85/34/1384398534.db2.gz JYFLQWZGWXTATR-UHFFFAOYSA-N 0 0 329.444 3.318 10 10 EGCERN Cc1ccc2[nH]cc(CCNC(=O)NCc3c(O)cccc3F)c2c1 ZINC001313405123 1384416074 /nfs/dbraw/zinc/41/60/74/1384416074.db2.gz KEEWCJBBFXSNEM-UHFFFAOYSA-N 0 0 341.386 3.363 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CCC(C)(C)O ZINC001314753014 1384444752 /nfs/dbraw/zinc/44/47/52/1384444752.db2.gz JZTBIJPYDAZWQO-UHFFFAOYSA-N 0 0 344.459 3.049 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCc1ccncc1 ZINC001314753036 1384444758 /nfs/dbraw/zinc/44/47/58/1384444758.db2.gz KTAGCAZHRUFUJA-UHFFFAOYSA-N 0 0 349.438 3.135 10 10 EGCERN C[C@@H](NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)c1ccccc1O ZINC001171722997 1384613775 /nfs/dbraw/zinc/61/37/75/1384613775.db2.gz ISTLMSCMXPCUPG-QLJPJBMISA-N 0 0 346.333 3.041 10 10 EGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[C@H](F)C1 ZINC001329141461 1388987092 /nfs/dbraw/zinc/98/70/92/1388987092.db2.gz LAVVWUNYHPWIKP-ROUUACIJSA-N 0 0 348.462 3.040 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)CSC(C)(C)C)CC2)cc1 ZINC001319381329 1386093785 /nfs/dbraw/zinc/09/37/85/1386093785.db2.gz QSWPUCICWGOVRS-UHFFFAOYSA-N 0 0 336.501 3.266 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)c3c(C)cccc3F)CC2)cc1 ZINC001319624508 1386217070 /nfs/dbraw/zinc/21/70/70/1386217070.db2.gz NBGYVZHBQRYDJD-UHFFFAOYSA-N 0 0 342.414 3.495 10 10 EGCERN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CSc1nccs1)O2 ZINC001329506222 1389136138 /nfs/dbraw/zinc/13/61/38/1389136138.db2.gz FKULJHJUXKEVAJ-LLVKDONJSA-N 0 0 342.486 3.404 10 10 EGCERN CN(C)c1ccc(/C=C\C[NH2+]C[C@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC001339241163 1389955036 /nfs/dbraw/zinc/95/50/36/1389955036.db2.gz OLVGPXLGIRVFAP-SCOBNMCVSA-N 0 0 330.350 3.009 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(CC(F)F)C1 ZINC001332086646 1389976236 /nfs/dbraw/zinc/97/62/36/1389976236.db2.gz CDEKBVPQSLXACA-UHFFFAOYSA-N 0 0 325.403 3.248 10 10 EGCERN Cc1cc(C(=O)OC[C@H]2COC(=O)C2)c(C)n1-c1ccccc1C ZINC001345141528 1390840951 /nfs/dbraw/zinc/84/09/51/1390840951.db2.gz SJRCTHMFYXHYRZ-OAHLLOKOSA-N 0 0 327.380 3.122 10 10 EGCERN C[C@H](NC(=O)[C@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001346592529 1390959102 /nfs/dbraw/zinc/95/91/02/1390959102.db2.gz VPIIIEYDKHVBDX-OXJNMPFZSA-N 0 0 340.467 3.486 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)c1cccc2c1CC(=O)CC2 ZINC001347459272 1391078562 /nfs/dbraw/zinc/07/85/62/1391078562.db2.gz AWVNPGGGVINSHI-UHFFFAOYSA-N 0 0 341.754 3.186 10 10 EGCERN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ncccc1F ZINC001350627649 1391493858 /nfs/dbraw/zinc/49/38/58/1391493858.db2.gz CEYXQMCURSOPCB-UHFFFAOYSA-N 0 0 346.317 3.248 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001351674358 1391668927 /nfs/dbraw/zinc/66/89/27/1391668927.db2.gz UCOLZFYTXIBKNB-HUUCEWRRSA-N 0 0 326.362 3.444 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1F ZINC001351737932 1391681674 /nfs/dbraw/zinc/68/16/74/1391681674.db2.gz IVKAYSRULBSOBS-UHFFFAOYSA-N 0 0 329.400 3.431 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@H]1c1ncc[nH]1 ZINC001353617016 1392051932 /nfs/dbraw/zinc/05/19/32/1392051932.db2.gz MBKHDXJOTXNFJP-NSHDSACASA-N 0 0 343.408 3.403 10 10 EGCERN CCO[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1 ZINC001354576205 1392153718 /nfs/dbraw/zinc/15/37/18/1392153718.db2.gz LPHLPXRAKVAAPA-FQEVSTJZSA-N 0 0 349.386 3.216 10 10 EGCERN CC(=O)c1ccc(CCNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001479621393 1392291886 /nfs/dbraw/zinc/29/18/86/1392291886.db2.gz DRVLIGWJBUTYQN-ZDUSSCGKSA-N 0 0 326.396 3.198 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CCC1CC1 ZINC001503488305 1396256434 /nfs/dbraw/zinc/25/64/34/1396256434.db2.gz TVOYWEVIVGHNKK-UHFFFAOYSA-N 0 0 337.427 3.415 10 10 EGCERN Cc1ccsc1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001707019827 1417155925 /nfs/dbraw/zinc/15/59/25/1417155925.db2.gz AXSLRULDFKMZRE-UHFFFAOYSA-N 0 0 328.441 3.347 10 10 EGCERN CCc1nnc(N2C[C@@H]3CCC[C@@H]32)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709068412 1417420779 /nfs/dbraw/zinc/42/07/79/1417420779.db2.gz YAXUYEFHEKNHDI-HOCLYGCPSA-N 0 0 343.450 3.083 10 10 EGCERN C[C@@H]1C[C@H]1n1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001726490951 1427064264 /nfs/dbraw/zinc/06/42/64/1427064264.db2.gz SUCHYFMNJKINRM-FVQBIDKESA-N 0 0 342.443 3.095 10 10 EGCERN CCc1nnc(N(C)CC2CC2)n1Cc1ccc(N(C)C)cc1C ZINC001744554638 1439664445 /nfs/dbraw/zinc/66/44/45/1439664445.db2.gz AWEWKMHYHLJNNZ-UHFFFAOYSA-N 0 0 327.476 3.109 10 10 EGCERN CC[C@H](Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O)OC ZINC001762368652 1441375271 /nfs/dbraw/zinc/37/52/71/1441375271.db2.gz RSERQNAJSIXQNG-MRXNPFEDSA-N 0 0 346.475 3.244 10 10 EGCERN O=C([O-])[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756378351 1126107841 /nfs/dbraw/zinc/10/78/41/1126107841.db2.gz DVAXXDBDEYAJME-INIZCTEOSA-N 0 0 349.789 3.200 10 10 EGCERN CC(=O)NN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000040867505 213396260 /nfs/dbraw/zinc/39/62/60/213396260.db2.gz MVYNAEHRAYGKJV-YHYXMXQVSA-N 0 0 347.248 3.246 10 10 EGCERN CC(=O)NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000040867516 213395851 /nfs/dbraw/zinc/39/58/51/213395851.db2.gz XYEGMMRLEUZFMG-YHYXMXQVSA-N 0 0 347.248 3.246 10 10 EGCERN COc1ccc(N2CCN(C(=O)/C=C\c3ccsc3)CC2)cc1 ZINC000096865538 218894677 /nfs/dbraw/zinc/89/46/77/218894677.db2.gz ZHHZMSMACSXPRX-UQCOIBPSSA-N 0 0 328.437 3.119 10 10 EGCERN COC(=O)C1=CN(c2ccc(C)cc2)c2ccc(F)cc2S1(=O)=O ZINC000064979221 277051455 /nfs/dbraw/zinc/05/14/55/277051455.db2.gz UTQUIPIGSTUYFP-UHFFFAOYSA-N 0 0 347.367 3.074 10 10 EGCERN COc1cc(/C=C2/C(=O)N(c3nc4ccccc4[nH]3)N=C2C)ccc1O ZINC000051103242 277794960 /nfs/dbraw/zinc/79/49/60/277794960.db2.gz NZHXHEIUGJLQGO-UKTHLTGXSA-N 0 0 348.362 3.083 10 10 EGCERN CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000527958845 312984158 /nfs/dbraw/zinc/98/41/58/312984158.db2.gz XAZHKCPJCKLCDH-MJBXVCDLSA-N 0 0 334.243 3.280 10 10 EGCERN O=C1NC(=S)NC(=O)C1=CC=C(Cl)c1ccc(Cl)cc1 ZINC000033376427 453915143 /nfs/dbraw/zinc/91/51/43/453915143.db2.gz RNGOPYPJSXTVSL-UXBLZVDNSA-N 0 0 327.192 3.217 10 10 EGCERN Oc1ccc(CCNc2nccc(OCc3ccccc3)n2)cc1O ZINC000089600727 454166353 /nfs/dbraw/zinc/16/63/53/454166353.db2.gz MHPPJIKLEOIKJV-UHFFFAOYSA-N 0 0 337.379 3.121 10 10 EGCERN Cc1nc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1 ZINC000048234803 454460114 /nfs/dbraw/zinc/46/01/14/454460114.db2.gz FCZZWEQGTCIFMG-CHWSQXEVSA-N 0 0 349.475 3.494 10 10 EGCERN Cn1nccc1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000073714025 454470674 /nfs/dbraw/zinc/47/06/74/454470674.db2.gz RFRAGTXCFZVOLN-UHFFFAOYSA-N 0 0 342.443 3.170 10 10 EGCERN CN(c1ccc(CNC(=O)NCC2(C)COC2)cc1)C1CCCCC1 ZINC000112718317 454897604 /nfs/dbraw/zinc/89/76/04/454897604.db2.gz LFVRKHWIRQDRGL-UHFFFAOYSA-N 0 0 345.487 3.291 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2cnccn2)c(C)n1-c1cccc(C)c1 ZINC000172156161 455129123 /nfs/dbraw/zinc/12/91/23/455129123.db2.gz OPGBRZWOEHLCGV-UHFFFAOYSA-N 0 0 334.423 3.465 10 10 EGCERN C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(N2CCCCCC2)cc1 ZINC000180497886 455182779 /nfs/dbraw/zinc/18/27/79/455182779.db2.gz BYKRFACCBUYNOG-PXNSSMCTSA-N 0 0 331.504 3.048 10 10 EGCERN Oc1cc(OCc2ccccc2)ccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000182978006 455203017 /nfs/dbraw/zinc/20/30/17/455203017.db2.gz PPQBEGIORCXUNA-DFNIBXOVSA-N 0 0 339.435 3.459 10 10 EGCERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1-n1cccn1 ZINC000181196611 455301095 /nfs/dbraw/zinc/30/10/95/455301095.db2.gz UDXLVVBGEWXSRJ-QSYFUGGGSA-N 0 0 349.390 3.174 10 10 EGCERN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](c2ccc(F)cc2)O1 ZINC000246811276 455526457 /nfs/dbraw/zinc/52/64/57/455526457.db2.gz BSOOYXFKCRQALF-BUXKBTBVSA-N 0 0 345.370 3.222 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(C)n1-c1ccccn1 ZINC000247241003 455577309 /nfs/dbraw/zinc/57/73/09/455577309.db2.gz PMYLUHOTPWKAEV-BMGDILEWSA-N 0 0 339.439 3.032 10 10 EGCERN COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185711829 455603330 /nfs/dbraw/zinc/60/33/30/455603330.db2.gz IRINEXFTGQBCLB-DZGCQCFKSA-N 0 0 330.403 3.469 10 10 EGCERN C[C@@H](CCC(=O)N(C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000192434096 455614983 /nfs/dbraw/zinc/61/49/83/455614983.db2.gz FIVLMQQZFUEENW-ZDUSSCGKSA-N 0 0 336.432 3.044 10 10 EGCERN CC(C)(C)SCC(=O)NCc1cccc(Br)c1O ZINC000277626666 455617835 /nfs/dbraw/zinc/61/78/35/455617835.db2.gz WUYXTQGVRKZOCQ-UHFFFAOYSA-N 0 0 332.263 3.303 10 10 EGCERN C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192815815 455699599 /nfs/dbraw/zinc/69/95/99/455699599.db2.gz RSLDZVXLZDVVGU-SECBINFHSA-N 0 0 333.215 3.192 10 10 EGCERN CN1CCCc2cc(CNc3ncnc4c3ncn4C3CC3)ccc21 ZINC000292789800 455758979 /nfs/dbraw/zinc/75/89/79/455758979.db2.gz QKMVRHUIKMUJQE-UHFFFAOYSA-N 0 0 334.427 3.156 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000294795515 455828565 /nfs/dbraw/zinc/82/85/65/455828565.db2.gz VOKDXSNKTAVBTG-OQPBUACISA-N 0 0 341.732 3.320 10 10 EGCERN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295384762 455847870 /nfs/dbraw/zinc/84/78/70/455847870.db2.gz PHODFIPPFQIZJE-GFCCVEGCSA-N 0 0 342.842 3.313 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000270344486 455933428 /nfs/dbraw/zinc/93/34/28/455933428.db2.gz OIXBZKBZRWJWPU-CQSZACIVSA-N 0 0 329.448 3.157 10 10 EGCERN C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1[O-] ZINC000187755548 455948319 /nfs/dbraw/zinc/94/83/19/455948319.db2.gz VCXUVHSGGQOXRZ-GHMZBOCLSA-N 0 0 337.345 3.134 10 10 EGCERN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280527269 455990172 /nfs/dbraw/zinc/99/01/72/455990172.db2.gz RLCLSRLDPBFNSC-CYBMUJFWSA-N 0 0 325.836 3.124 10 10 EGCERN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287583006 456072739 /nfs/dbraw/zinc/07/27/39/456072739.db2.gz HMZDMFWAWCKEAP-ZWNOBZJWSA-N 0 0 331.243 3.361 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000281162161 456150968 /nfs/dbraw/zinc/15/09/68/456150968.db2.gz WWOQZUUMFLUDGJ-VXGBXAGGSA-N 0 0 344.415 3.018 10 10 EGCERN CO[C@H](C)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000291137499 456541962 /nfs/dbraw/zinc/54/19/62/456541962.db2.gz GUBRYCKFXVSPOW-HZPDHXFCSA-N 0 0 333.476 3.242 10 10 EGCERN CO[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000291137498 456541967 /nfs/dbraw/zinc/54/19/67/456541967.db2.gz GUBRYCKFXVSPOW-CVEARBPZSA-N 0 0 333.476 3.242 10 10 EGCERN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCO3)cc2Cl)C1 ZINC000291445120 456644152 /nfs/dbraw/zinc/64/41/52/456644152.db2.gz FFSUUBBEULFPJD-ZDUSSCGKSA-N 0 0 337.851 3.423 10 10 EGCERN C[C@@]12CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@@H]1C2(F)F ZINC000291670196 456715973 /nfs/dbraw/zinc/71/59/73/456715973.db2.gz PZVJMBDLNDMMKL-FUHWJXTLSA-N 0 0 349.425 3.474 10 10 EGCERN CCN(CC)c1ccc(CN2C(=O)[C@@H]3[C@@H]4CCC[C@H]4CN3C2=O)cc1 ZINC000277473066 456837397 /nfs/dbraw/zinc/83/73/97/456837397.db2.gz UZSUOHYDLIBMMJ-JQHSSLGASA-N 0 0 341.455 3.096 10 10 EGCERN CCc1nc([C@@H]2CCCCN2Cc2cc(F)cc(C(C)=O)c2O)no1 ZINC000364187861 457518323 /nfs/dbraw/zinc/51/83/23/457518323.db2.gz BRSQEEXLASPWQE-HNNXBMFYSA-N 0 0 347.390 3.407 10 10 EGCERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(Cl)cc(C)c1O ZINC000375261792 457854742 /nfs/dbraw/zinc/85/47/42/457854742.db2.gz IGEJCTZBQKWXGH-INIZCTEOSA-N 0 0 349.862 3.278 10 10 EGCERN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000367542803 457963478 /nfs/dbraw/zinc/96/34/78/457963478.db2.gz SQQRMJHFTZDEAO-HZMBPMFUSA-N 0 0 343.254 3.190 10 10 EGCERN Cc1cn2c(n1)CN(Cc1ccc(OCc3ccccc3)cc1O)CC2 ZINC000368345184 458028238 /nfs/dbraw/zinc/02/82/38/458028238.db2.gz ROPBLJKHCFRTIH-UHFFFAOYSA-N 0 0 349.434 3.492 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N(C(C)C)C3COC3)ccc21 ZINC000452577089 458504399 /nfs/dbraw/zinc/50/43/99/458504399.db2.gz SFWGPAGPNCVYOC-UHFFFAOYSA-N 0 0 344.455 3.154 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528858240 459815452 /nfs/dbraw/zinc/81/54/52/459815452.db2.gz SBRUKJFDXNBRSM-HOTGVXAUSA-N 0 0 329.371 3.089 10 10 EGCERN COc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1F ZINC000726434388 574553036 /nfs/dbraw/zinc/55/30/36/574553036.db2.gz NFURWUOBHSUUID-UHFFFAOYSA-N 0 0 336.348 3.056 10 10 EGCERN CCOC(=O)C(C)(C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000727342900 574662301 /nfs/dbraw/zinc/66/23/01/574662301.db2.gz ZNMNOEZDLHVSCA-UHFFFAOYSA-N 0 0 328.412 3.166 10 10 EGCERN COc1ccc(N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000728912309 574786089 /nfs/dbraw/zinc/78/60/89/574786089.db2.gz FMWKURIUKHCSEF-UHFFFAOYSA-N 0 0 345.374 3.065 10 10 EGCERN COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000728978686 574790786 /nfs/dbraw/zinc/79/07/86/574790786.db2.gz SQYJOJQJELTQSU-STQMWFEESA-N 0 0 345.395 3.054 10 10 EGCERN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000728978684 574790787 /nfs/dbraw/zinc/79/07/87/574790787.db2.gz SQYJOJQJELTQSU-OLZOCXBDSA-N 0 0 345.395 3.054 10 10 EGCERN COC(=O)/C=C\c1ccc(N2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000742420293 576782223 /nfs/dbraw/zinc/78/22/23/576782223.db2.gz AYEUDGUJYCBHLI-RAUBUVQISA-N 0 0 336.413 3.111 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000742557707 576789828 /nfs/dbraw/zinc/78/98/28/576789828.db2.gz GKZIQVVALZWKLJ-UHFFFAOYSA-N 0 0 339.435 3.446 10 10 EGCERN Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)c(C)n1-c1ccccc1C ZINC000742774337 576795194 /nfs/dbraw/zinc/79/51/94/576795194.db2.gz GZUVKUYBYZFBSA-APWZRJJASA-N 0 0 326.440 3.293 10 10 EGCERN CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708138538 1298234443 /nfs/dbraw/zinc/23/44/43/1298234443.db2.gz CEUBWQIXFPMXMN-LLVKDONJSA-N 0 0 334.641 3.419 10 10 EGCERN COc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000087004632 1292737215 /nfs/dbraw/zinc/73/72/15/1292737215.db2.gz OXXNIFATUZBQQK-UHFFFAOYSA-N 0 0 328.412 3.008 10 10 EGCERN CNc1ncc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000159208643 1294228798 /nfs/dbraw/zinc/22/87/98/1294228798.db2.gz NOWIRZFRNMYQKL-UHFFFAOYSA-N 0 0 344.484 3.447 10 10 EGCERN O=C(NCc1nc(-c2ccccc2)cs1)c1cccc(O)c1O ZINC000186924797 1295357912 /nfs/dbraw/zinc/35/79/12/1295357912.db2.gz NVWATRZKOBDNRT-UHFFFAOYSA-N 0 0 326.377 3.151 10 10 EGCERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203710 1296271513 /nfs/dbraw/zinc/27/15/13/1296271513.db2.gz QTHKQXNHCHAYLF-UHFFFAOYSA-N 0 0 326.352 3.382 10 10 EGCERN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)n1C1CCOCC1 ZINC000871206297 1296272711 /nfs/dbraw/zinc/27/27/11/1296272711.db2.gz YZFZCJSAEDDDBF-UHFFFAOYSA-N 0 0 340.423 3.318 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000880343967 1301073498 /nfs/dbraw/zinc/07/34/98/1301073498.db2.gz MOBUHNJWFLWTRE-QOKNQOGYSA-N 0 0 328.456 3.074 10 10 EGCERN C[C@H]1CO[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC000888811292 1304285448 /nfs/dbraw/zinc/28/54/48/1304285448.db2.gz NEPUYAGLQRHFQN-IUODEOHRSA-N 0 0 344.377 3.069 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888826396 1304291879 /nfs/dbraw/zinc/29/18/79/1304291879.db2.gz IUDLDPMABIJISX-RTPFVWDUSA-N 0 0 336.391 3.044 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@]12CCCO2 ZINC000890115119 1304678187 /nfs/dbraw/zinc/67/81/87/1304678187.db2.gz DRYMXTJMEDHLQW-QUCCMNQESA-N 0 0 345.487 3.386 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)NC1CCC(OC(F)F)CC1 ZINC000895254691 1309259467 /nfs/dbraw/zinc/25/94/67/1309259467.db2.gz WWRKYCADMWJQSN-UHFFFAOYSA-N 0 0 348.777 3.395 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845893 1309554338 /nfs/dbraw/zinc/55/43/38/1309554338.db2.gz RGSBDAGGDMHUQZ-YGRLFVJLSA-N 0 0 344.224 3.295 10 10 EGCERN CCCc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n(C)n1 ZINC000897302982 1310280929 /nfs/dbraw/zinc/28/09/29/1310280929.db2.gz CAZVPGDQWNGSNL-UHFFFAOYSA-N 0 0 331.397 3.251 10 10 EGCERN CO[C@@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC000897522856 1310361779 /nfs/dbraw/zinc/36/17/79/1310361779.db2.gz WWBPAGRFZBOGPX-LBPRGKRZSA-N 0 0 349.330 3.010 10 10 EGCERN COCCN(C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000929995584 1328760192 /nfs/dbraw/zinc/76/01/92/1328760192.db2.gz HYGHUJHIFOQSTJ-ZSHCYNCHSA-N 0 0 337.460 3.360 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCC34CC4)C2)cc1 ZINC000858598406 1328806794 /nfs/dbraw/zinc/80/67/94/1328806794.db2.gz DWRVLXOAWLUMDX-JKSUJKDBSA-N 0 0 343.471 3.153 10 10 EGCERN CN(c1ccc(CNC(=O)COCC(F)F)cc1)C1CCCCC1 ZINC000858829127 1328869920 /nfs/dbraw/zinc/86/99/20/1328869920.db2.gz DKBHXZMFIMSBKY-UHFFFAOYSA-N 0 0 340.414 3.353 10 10 EGCERN FC(F)Oc1ccc2c(c1)CCCN2CCOC1CCOCC1 ZINC000859173776 1328938198 /nfs/dbraw/zinc/93/81/98/1328938198.db2.gz DBONAMILHZWSBF-UHFFFAOYSA-N 0 0 327.371 3.236 10 10 EGCERN O=C(NCCCSc1nccs1)N[C@H]1CCCc2cccnc21 ZINC000921447379 1322317465 /nfs/dbraw/zinc/31/74/65/1322317465.db2.gz HCXUZBOFJSIDQT-ZDUSSCGKSA-N 0 0 348.497 3.397 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000921554525 1322350457 /nfs/dbraw/zinc/35/04/57/1322350457.db2.gz BVRZOFRAHYCTTC-JEBQAFNWSA-N 0 0 326.371 3.059 10 10 EGCERN CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)CCO1 ZINC000921841504 1322410517 /nfs/dbraw/zinc/41/05/17/1322410517.db2.gz SXBNYDJHWJUGLF-SUMWQHHRSA-N 0 0 338.423 3.314 10 10 EGCERN CCO[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000922218329 1322480520 /nfs/dbraw/zinc/48/05/20/1322480520.db2.gz ILLPILDDBYRNSI-QGZVFWFLSA-N 0 0 332.375 3.108 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922673863 1322585027 /nfs/dbraw/zinc/58/50/27/1322585027.db2.gz VENWVEKIIYQMOA-ZYHUDNBSSA-N 0 0 325.277 3.260 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000922780837 1322616124 /nfs/dbraw/zinc/61/61/24/1322616124.db2.gz LQTUZKGPSWBYIR-QQOXCAACSA-N 0 0 345.439 3.166 10 10 EGCERN CC[C@@H]1C[C@H]1C(=O)NCc1cc(NC(=O)[C@@H]2C[C@H]2CC)ccc1O ZINC000923117381 1322695387 /nfs/dbraw/zinc/69/53/87/1322695387.db2.gz QEKPKMRLCIZKJH-CZPYZCIJSA-N 0 0 330.428 3.039 10 10 EGCERN COc1cccc(CNC(=O)NCC2CCC(SC)CC2)c1O ZINC000924294925 1322965323 /nfs/dbraw/zinc/96/53/23/1322965323.db2.gz WNZKJQXWFXAACN-UHFFFAOYSA-N 0 0 338.473 3.122 10 10 EGCERN CO[C@@H]1CCOc2c(NC(=O)NCc3c(O)cccc3F)cccc21 ZINC000931160253 1329063995 /nfs/dbraw/zinc/06/39/95/1329063995.db2.gz NMMBGQNADNZRAE-MRXNPFEDSA-N 0 0 346.358 3.323 10 10 EGCERN Cc1ccc(C(=O)N2CCCC[C@@H]2CC2(O)CCCCC2)c(O)c1O ZINC000925047135 1323255902 /nfs/dbraw/zinc/25/59/02/1323255902.db2.gz VCYLGHWMKOIIEO-OAHLLOKOSA-N 0 0 347.455 3.486 10 10 EGCERN COc1ccc2c(c1)CC[C@H]2C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000860240713 1329181874 /nfs/dbraw/zinc/18/18/74/1329181874.db2.gz CMMPPFNVOGEFKH-SJKOYZFVSA-N 0 0 341.407 3.317 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1c2ccccc2OC[C@H]1F)c1ccccc1O ZINC000925133806 1325058472 /nfs/dbraw/zinc/05/84/72/1325058472.db2.gz DUHDZDRMNAROQQ-FABXCBLPSA-N 0 0 330.359 3.224 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@H](c1ncccn1)C1CC1 ZINC000925449703 1325154672 /nfs/dbraw/zinc/15/46/72/1325154672.db2.gz KSMWKZHDUHUQPV-KRWDZBQOSA-N 0 0 340.427 3.255 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C(F)F)o2)cc1 ZINC000862129919 1329460832 /nfs/dbraw/zinc/46/08/32/1329460832.db2.gz XAVSEAYHKNGJBN-UHFFFAOYSA-N 0 0 338.354 3.434 10 10 EGCERN C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000926963139 1327800861 /nfs/dbraw/zinc/80/08/61/1327800861.db2.gz MMPMBUNRUZBFMA-PRHODGIISA-N 0 0 326.309 3.204 10 10 EGCERN C[C@@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCS1 ZINC000927246406 1327930046 /nfs/dbraw/zinc/93/00/46/1327930046.db2.gz OHEWIDZTNRPMSD-OCCSQVGLSA-N 0 0 334.485 3.354 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000927430767 1328022579 /nfs/dbraw/zinc/02/25/79/1328022579.db2.gz RPCVWAJKCCNLPI-MJGOQNOKSA-N 0 0 345.487 3.099 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NC[C@]1(c2ccccc2)CCCO1 ZINC000927675317 1328101074 /nfs/dbraw/zinc/10/10/74/1328101074.db2.gz JBLFOWYLVOPUNF-FQEVSTJZSA-N 0 0 340.423 3.240 10 10 EGCERN CC(C)(C)n1nc(C(=O)NCc2c(O)cccc2F)cc1C1CC1 ZINC000928712266 1328407359 /nfs/dbraw/zinc/40/73/59/1328407359.db2.gz PVIRBKKEVJYMKC-UHFFFAOYSA-N 0 0 331.391 3.290 10 10 EGCERN Nc1ccc(CCNC(=O)NCC2CCc3ccccc3CC2)cc1 ZINC000861640429 1329433712 /nfs/dbraw/zinc/43/37/12/1329433712.db2.gz KXWHIRSEDPSUMK-UHFFFAOYSA-N 0 0 337.467 3.306 10 10 EGCERN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccc2cccnc2c1O ZINC000862026457 1329455881 /nfs/dbraw/zinc/45/58/81/1329455881.db2.gz OOORSNOOUYIKDM-XJKSGUPXSA-N 0 0 330.428 3.134 10 10 EGCERN CC(C)(C)c1cc(C(=O)NCc2ccc3cccnc3c2O)no1 ZINC000862027924 1329456108 /nfs/dbraw/zinc/45/61/08/1329456108.db2.gz JVURPWOROGNMBZ-UHFFFAOYSA-N 0 0 325.368 3.156 10 10 EGCERN Cc1ccc(O)c(CNC(=O)C2(CC(=O)OC(C)(C)C)CCC2)c1 ZINC000862755187 1329506541 /nfs/dbraw/zinc/50/65/41/1329506541.db2.gz PFJBIQICFHVYPI-UHFFFAOYSA-N 0 0 333.428 3.219 10 10 EGCERN Cc1cc(C(=O)N2CC3(C2)CCCO3)c(C)n1-c1ccc(F)cc1 ZINC000862820383 1329512826 /nfs/dbraw/zinc/51/28/26/1329512826.db2.gz DNIIVQXVXCEHJH-UHFFFAOYSA-N 0 0 328.387 3.238 10 10 EGCERN CCN1C(=O)/C(=C\c2ccc(OC)c(OC3CC3)c2)SC1=S ZINC000863175572 1329532084 /nfs/dbraw/zinc/53/20/84/1329532084.db2.gz KALNRPCKYOZUNI-NTEUORMPSA-N 0 0 335.450 3.458 10 10 EGCERN COC[C@@]1(C)CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1 ZINC000863829166 1329584134 /nfs/dbraw/zinc/58/41/34/1329584134.db2.gz IEDZNHHEJQQWPH-GOSISDBHSA-N 0 0 348.468 3.033 10 10 EGCERN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)c(F)cc1OC ZINC000864356054 1329609868 /nfs/dbraw/zinc/60/98/68/1329609868.db2.gz LPXXMNUMKFXCBX-SDQBBNPISA-N 0 0 327.402 3.064 10 10 EGCERN COCc1sccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864863964 1329647279 /nfs/dbraw/zinc/64/72/79/1329647279.db2.gz SPZMYIWBBQLKFS-UHFFFAOYSA-N 0 0 330.453 3.425 10 10 EGCERN C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccncc1 ZINC000864918998 1329651534 /nfs/dbraw/zinc/65/15/34/1329651534.db2.gz OFCJUORKWBGIBN-HNNXBMFYSA-N 0 0 341.480 3.055 10 10 EGCERN O=[N+]([O-])c1cc(CNc2ccn(CCF)n2)ccc1N1CCCCC1 ZINC000865838017 1329744132 /nfs/dbraw/zinc/74/41/32/1329744132.db2.gz OHRHWNAXGQZBMA-UHFFFAOYSA-N 0 0 347.394 3.363 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1scnc1C(F)F ZINC000865904880 1329750694 /nfs/dbraw/zinc/75/06/94/1329750694.db2.gz SPOFCCRPHFIEOV-UHFFFAOYSA-N 0 0 325.384 3.385 10 10 EGCERN COc1ccc(N2CC[C@H](Nc3nc(C(C)(C)OC)ns3)C2)cc1 ZINC000865931818 1329752539 /nfs/dbraw/zinc/75/25/39/1329752539.db2.gz JRTKJSUKMCXYDG-LBPRGKRZSA-N 0 0 348.472 3.119 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000866528885 1330121887 /nfs/dbraw/zinc/12/18/87/1330121887.db2.gz JZKIXMTUKXNLMH-DZGCQCFKSA-N 0 0 333.428 3.036 10 10 EGCERN C[C@H](NS(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccccc1O ZINC000867836075 1330222827 /nfs/dbraw/zinc/22/28/27/1330222827.db2.gz DCABMFDCBYBWFF-NWDGAFQWSA-N 0 0 333.400 3.198 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H]2C(F)F)c1 ZINC000868608802 1330299454 /nfs/dbraw/zinc/29/94/54/1330299454.db2.gz IDLMBQXQOGNZKR-INIZCTEOSA-N 0 0 332.350 3.386 10 10 EGCERN C[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1O ZINC000868676611 1330313334 /nfs/dbraw/zinc/31/33/34/1330313334.db2.gz ZKWAPSZPEJGBPP-YEWWUXTCSA-N 0 0 341.411 3.068 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000868890830 1330368039 /nfs/dbraw/zinc/36/80/39/1330368039.db2.gz XUEYHTCFURGBIA-UIAACRFSSA-N 0 0 344.499 3.171 10 10 EGCERN Cc1cnc(F)c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000868890528 1330368044 /nfs/dbraw/zinc/36/80/44/1330368044.db2.gz UZVWVMQTQTVWJT-CQSZACIVSA-N 0 0 329.419 3.265 10 10 EGCERN COc1ccc(N(CCc2ccccc2)C[C@H]2CN(C)C(=O)O2)cc1 ZINC001191891276 1367628758 /nfs/dbraw/zinc/62/87/58/1367628758.db2.gz HLDUKQSVCRZQCC-LJQANCHMSA-N 0 0 340.423 3.195 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)c1cc(-n2cccc2)ccn1 ZINC001325344615 1387942549 /nfs/dbraw/zinc/94/25/49/1387942549.db2.gz GPXSSNUSCVNFMM-UHFFFAOYSA-N 0 0 339.742 3.314 10 10 EGCERN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CCO)C2CCCC2)c1[O-] ZINC001198148447 1368968497 /nfs/dbraw/zinc/96/84/97/1368968497.db2.gz ZALHHPDLVIQPRY-INIZCTEOSA-N 0 0 325.836 3.279 10 10 EGCERN C[C@H](NC(=O)[C@H]1CCC[C@@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001326156244 1388120430 /nfs/dbraw/zinc/12/04/30/1388120430.db2.gz MWWCXKYOSAGFQG-BHYGNILZSA-N 0 0 334.435 3.229 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccsc1C(=O)OC ZINC001123611130 1372525808 /nfs/dbraw/zinc/52/58/08/1372525808.db2.gz TXAOFBHDFWXRHO-UHFFFAOYSA-N 0 0 346.452 3.263 10 10 EGCERN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cc(F)ccc1N(C)C ZINC001123787497 1372588951 /nfs/dbraw/zinc/58/89/51/1372588951.db2.gz MXVPLXFPPNAESF-GFCCVEGCSA-N 0 0 343.402 3.384 10 10 EGCERN Cc1nocc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001125089358 1372752533 /nfs/dbraw/zinc/75/25/33/1372752533.db2.gz AFTGMJLHJYKLPH-UHFFFAOYSA-N 0 0 332.315 3.011 10 10 EGCERN COc1ncc(/C=C/C(=O)N2CCCc3ccc(F)c(Cl)c32)cn1 ZINC001130202273 1373473875 /nfs/dbraw/zinc/47/38/75/1373473875.db2.gz MGBPNBMKJRYKSJ-QPJJXVBHSA-N 0 0 347.777 3.270 10 10 EGCERN COc1cc(CCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccn1 ZINC001132158330 1375175890 /nfs/dbraw/zinc/17/58/90/1375175890.db2.gz CYTIHGSLPMISOI-UHFFFAOYSA-N 0 0 349.434 3.470 10 10 EGCERN COc1ccc(CNC(=O)NCC(C2CCC2)C2CCC2)c(O)c1 ZINC001233613805 1376683932 /nfs/dbraw/zinc/68/39/32/1376683932.db2.gz LTNNDIPOWCCYHZ-UHFFFAOYSA-N 0 0 332.444 3.416 10 10 EGCERN CC[C@H](Nc1cccnc1Cl)C(=O)NCc1ccc(N(C)C)cc1 ZINC001135642812 1377173186 /nfs/dbraw/zinc/17/31/86/1377173186.db2.gz MXWTYUYPVGZLIV-HNNXBMFYSA-N 0 0 346.862 3.308 10 10 EGCERN CCc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc(=O)[nH]1 ZINC001136025735 1377303177 /nfs/dbraw/zinc/30/31/77/1377303177.db2.gz WYRJGTHSFFKXPQ-UHFFFAOYSA-N 0 0 339.439 3.222 10 10 EGCERN CN1CCCc2cc(CNC(=O)C[C@@H]3Cc4ccccc4O3)ccc21 ZINC001136436964 1377393055 /nfs/dbraw/zinc/39/30/55/1377393055.db2.gz QYVJWHCMDXBOQJ-SFHVURJKSA-N 0 0 336.435 3.079 10 10 EGCERN CCc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(O)c1O)CCO2 ZINC001138101389 1377677230 /nfs/dbraw/zinc/67/72/30/1377677230.db2.gz AUORKBYZQVAKCR-OAHLLOKOSA-N 0 0 327.380 3.222 10 10 EGCERN Cc1oc(C=O)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001141723519 1378366678 /nfs/dbraw/zinc/36/66/78/1378366678.db2.gz VDNSAQBGYABWJB-UHFFFAOYSA-N 0 0 346.346 3.363 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cnc3cccc(C)n32)cc1 ZINC001141868644 1378388047 /nfs/dbraw/zinc/38/80/47/1378388047.db2.gz DXEIMIFCYBFUDH-UHFFFAOYSA-N 0 0 336.439 3.419 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2scnc21 ZINC001142731158 1378482696 /nfs/dbraw/zinc/48/26/96/1378482696.db2.gz MGKUORNJULVZQD-UHFFFAOYSA-N 0 0 335.388 3.480 10 10 EGCERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001151892669 1379811670 /nfs/dbraw/zinc/81/16/70/1379811670.db2.gz VLCMXMWLCYTHHB-ZDUSSCGKSA-N 0 0 344.367 3.255 10 10 EGCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1cc[nH]n1 ZINC001152396318 1379926317 /nfs/dbraw/zinc/92/63/17/1379926317.db2.gz WIUZBGIDMJNNOW-HNNXBMFYSA-N 0 0 335.407 3.448 10 10 EGCERN O=C(NCc1cccc(O)c1O)c1ccncc1Oc1ccccc1 ZINC001153798960 1380131973 /nfs/dbraw/zinc/13/19/73/1380131973.db2.gz YVDDAYRWEIXXKD-UHFFFAOYSA-N 0 0 336.347 3.215 10 10 EGCERN C[C@@H](NC(=O)C(F)(F)C1(O)CCCCC1)c1ccc(N(C)C)cc1 ZINC001154669126 1380327994 /nfs/dbraw/zinc/32/79/94/1380327994.db2.gz RPHNMPUZBUAEMU-CYBMUJFWSA-N 0 0 340.414 3.260 10 10 EGCERN CCO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC001157932122 1381075892 /nfs/dbraw/zinc/07/58/92/1381075892.db2.gz KTDQTZSDRMZLCB-KRWDZBQOSA-N 0 0 330.403 3.484 10 10 EGCERN C[Si](C)(C)c1ccc(CC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001159041712 1381535608 /nfs/dbraw/zinc/53/56/08/1381535608.db2.gz YZQJVOZABHYHEF-UHFFFAOYSA-N 0 0 347.918 3.450 10 10 EGCERN CCOC(OCC)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001160177014 1382024930 /nfs/dbraw/zinc/02/49/30/1382024930.db2.gz QOHRTNCVGWFINT-CQSZACIVSA-N 0 0 345.443 3.007 10 10 EGCERN CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001160599508 1382150465 /nfs/dbraw/zinc/15/04/65/1382150465.db2.gz LHLPAWYKURUCMX-AWEZNQCLSA-N 0 0 345.270 3.436 10 10 EGCERN COc1ccc2c(c1)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CCC2 ZINC001295856441 1382844900 /nfs/dbraw/zinc/84/49/00/1382844900.db2.gz SBYCOCKQPKWBRS-XBMZPMPPSA-N 0 0 339.391 3.313 10 10 EGCERN COc1ccc(CNC(=O)c2cc(C(F)F)ccc2F)c(O)c1 ZINC001296968472 1383101555 /nfs/dbraw/zinc/10/15/55/1383101555.db2.gz OLGZQWWLGLBPPH-UHFFFAOYSA-N 0 0 325.286 3.408 10 10 EGCERN COC(=O)c1cncc(NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001163889103 1383133089 /nfs/dbraw/zinc/13/30/89/1383133089.db2.gz ALUKAJWJDVWYHN-UHFFFAOYSA-N 0 0 336.395 3.283 10 10 EGCERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2O)c1 ZINC001164342133 1383179008 /nfs/dbraw/zinc/17/90/08/1383179008.db2.gz MXFRPYAANZXSFL-UHFFFAOYSA-N 0 0 336.731 3.353 10 10 EGCERN Cc1cc(C(=O)N(C)CC(C)(C)CO)c(C)n1-c1cccc(C)c1 ZINC001298623866 1383415967 /nfs/dbraw/zinc/41/59/67/1383415967.db2.gz NYJDPGNDZRUWTJ-UHFFFAOYSA-N 0 0 328.456 3.493 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnc(C(C)C)[nH]1 ZINC001299479576 1383539690 /nfs/dbraw/zinc/53/96/90/1383539690.db2.gz YFKCNTGKCBCTHC-AWEZNQCLSA-N 0 0 328.460 3.269 10 10 EGCERN CC(C)(C)OC(=O)c1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC001301726495 1383727756 /nfs/dbraw/zinc/72/77/56/1383727756.db2.gz CVHWHZPVDXBFBH-UHFFFAOYSA-N 0 0 333.409 3.339 10 10 EGCERN C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1)c1ccccc1O ZINC001302530222 1383757042 /nfs/dbraw/zinc/75/70/42/1383757042.db2.gz GJMHRVXFIRYOHS-GFCCVEGCSA-N 0 0 325.343 3.208 10 10 EGCERN CC(C)OCCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001303562149 1383806347 /nfs/dbraw/zinc/80/63/47/1383806347.db2.gz PWKNKELQVZMNRD-UHFFFAOYSA-N 0 0 344.459 3.313 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@H]2COc2ccc(F)cc2)c(O)c1O ZINC001304172280 1383836784 /nfs/dbraw/zinc/83/67/84/1383836784.db2.gz ZDVURMVTSSPGNW-AWEZNQCLSA-N 0 0 345.370 3.229 10 10 EGCERN CCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1O ZINC001307024218 1383933825 /nfs/dbraw/zinc/93/38/25/1383933825.db2.gz MVMXHIJTOPSFBT-UHFFFAOYSA-N 0 0 337.427 3.016 10 10 EGCERN C[C@@H](O)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307076395 1383936832 /nfs/dbraw/zinc/93/68/32/1383936832.db2.gz CAZPOKPWKXWDOP-CHWSQXEVSA-N 0 0 328.368 3.397 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCOc3c(F)c(F)ccc32)c1O ZINC001307850927 1384043204 /nfs/dbraw/zinc/04/32/04/1384043204.db2.gz WGFPADWRXGHFQD-UHFFFAOYSA-N 0 0 337.297 3.411 10 10 EGCERN CN(C)c1ccc([C@@H](CNC(=O)NCC2CC(C)(C)C2)[NH+](C)C)cc1 ZINC001312516173 1384354247 /nfs/dbraw/zinc/35/42/47/1384354247.db2.gz KOUWFRPNSIVZET-GOSISDBHSA-N 0 0 346.519 3.091 10 10 EGCERN CC[C@H](C)[C@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001312729840 1384367406 /nfs/dbraw/zinc/36/74/06/1384367406.db2.gz BPAZVTKYHMHHPX-QOKNQOGYSA-N 0 0 349.519 3.352 10 10 EGCERN CC[C@H](CCO)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001313131701 1384397890 /nfs/dbraw/zinc/39/78/90/1384397890.db2.gz AAUNUFXDXSOCIM-QGZVFWFLSA-N 0 0 343.471 3.302 10 10 EGCERN Cc1cc(CNC(=O)Cc2ncccc2F)c(C)n1-c1ccccc1 ZINC001170858133 1384400350 /nfs/dbraw/zinc/40/03/50/1384400350.db2.gz NMQSHICBEHFEMG-UHFFFAOYSA-N 0 0 337.398 3.487 10 10 EGCERN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCCN1CCOCC1 ZINC001171354078 1384500225 /nfs/dbraw/zinc/50/02/25/1384500225.db2.gz PFKXTMAOOQTFKI-SFHVURJKSA-N 0 0 332.488 3.052 10 10 EGCERN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3O)[nH]n2)cc1 ZINC001171723530 1384613790 /nfs/dbraw/zinc/61/37/90/1384613790.db2.gz SWFVLGFABJROLG-GFCCVEGCSA-N 0 0 337.379 3.282 10 10 EGCERN Cc1ccc(-c2nc(C(=O)N3Cc4cccc(O)c4C3)cs2)n1C ZINC001175037037 1385184522 /nfs/dbraw/zinc/18/45/22/1385184522.db2.gz ANLASFKJYPUAIH-UHFFFAOYSA-N 0 0 339.420 3.319 10 10 EGCERN CN1c2ccccc2CN(Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001329108786 1388973665 /nfs/dbraw/zinc/97/36/65/1388973665.db2.gz ZYQPGRLCKKGMSS-UHFFFAOYSA-N 0 0 335.451 3.265 10 10 EGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[C@@H](F)C1 ZINC001329141460 1388986885 /nfs/dbraw/zinc/98/68/85/1388986885.db2.gz LAVVWUNYHPWIKP-QZTJIDSGSA-N 0 0 348.462 3.040 10 10 EGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[C@H](F)C1 ZINC001329141459 1388986935 /nfs/dbraw/zinc/98/69/35/1388986935.db2.gz LAVVWUNYHPWIKP-MSOLQXFVSA-N 0 0 348.462 3.040 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1c(O)ccc2ccccc21 ZINC001179032266 1386383418 /nfs/dbraw/zinc/38/34/18/1386383418.db2.gz CWXQPJAKMJQECZ-UXBLZVDNSA-N 0 0 335.359 3.286 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1scnc1C(F)(F)F ZINC001180410222 1386787955 /nfs/dbraw/zinc/78/79/55/1386787955.db2.gz MYBDOQPYRSOFHY-UHFFFAOYSA-N 0 0 336.722 3.451 10 10 EGCERN COc1ccc(C(=O)NCc2cccc(Cl)c2O)c(Cl)n1 ZINC001180420762 1386792041 /nfs/dbraw/zinc/79/20/41/1386792041.db2.gz OKHGICIQCKOCQQ-UHFFFAOYSA-N 0 0 327.167 3.033 10 10 EGCERN Nc1ccc(Cc2nc(C(=O)NCC[C@@H]3CC3(F)F)cs2)cc1 ZINC001331343559 1389711037 /nfs/dbraw/zinc/71/10/37/1389711037.db2.gz JBVHNKBCTCLNOB-LLVKDONJSA-N 0 0 337.395 3.091 10 10 EGCERN COc1cc2c(c(OC)c1)N(Cc1cc(CO)ccc1F)CCC2 ZINC001331588956 1389815363 /nfs/dbraw/zinc/81/53/63/1389815363.db2.gz UWJYKDOARGCJBD-UHFFFAOYSA-N 0 0 331.387 3.288 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@]23C[C@H]2COC32CCC2)cc1 ZINC001333430275 1390301555 /nfs/dbraw/zinc/30/15/55/1390301555.db2.gz SOGBILVRCXXWNZ-JXFKEZNVSA-N 0 0 328.456 3.108 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)Cc3ccsc3C)CC2)cc1 ZINC001343422124 1390713217 /nfs/dbraw/zinc/71/32/17/1390713217.db2.gz QQCXVHQYMZEPFV-UHFFFAOYSA-N 0 0 344.480 3.347 10 10 EGCERN CN(c1nnc(C2Sc3ncccc3C2=O)n1CC1CC1)C1CC1 ZINC001345295646 1390853684 /nfs/dbraw/zinc/85/36/84/1390853684.db2.gz NMOGBHLPUPXEEB-UHFFFAOYSA-N 0 0 341.440 3.269 10 10 EGCERN C[C@H](NC(=O)[C@@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001346592528 1390959104 /nfs/dbraw/zinc/95/91/04/1390959104.db2.gz VPIIIEYDKHVBDX-JXFKEZNVSA-N 0 0 340.467 3.486 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001347621139 1391101306 /nfs/dbraw/zinc/10/13/06/1391101306.db2.gz XCNUYRQTHMYGJH-GJZGRUSLSA-N 0 0 330.388 3.023 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC001348645712 1391248298 /nfs/dbraw/zinc/24/82/98/1391248298.db2.gz LVLNEISOWFPOKJ-BRWVUGGUSA-N 0 0 328.456 3.170 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001349118246 1391303825 /nfs/dbraw/zinc/30/38/25/1391303825.db2.gz OCGXINBOHQMSHQ-GOSISDBHSA-N 0 0 330.472 3.450 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)c3ccc(F)s3)CC2)cc1 ZINC001350967907 1391570123 /nfs/dbraw/zinc/57/01/23/1391570123.db2.gz OSAZBIWVWGTGIR-UHFFFAOYSA-N 0 0 334.416 3.248 10 10 EGCERN Cc1cc(O)ccc1CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001352291383 1391780927 /nfs/dbraw/zinc/78/09/27/1391780927.db2.gz CMPDNAMSWZGOSJ-INIZCTEOSA-N 0 0 340.467 3.365 10 10 EGCERN CC[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001352616075 1391823848 /nfs/dbraw/zinc/82/38/48/1391823848.db2.gz WSLNAESQWQNLGY-IEBWSBKVSA-N 0 0 330.472 3.450 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-n2cccn2)c(C)c1 ZINC001353246001 1391972522 /nfs/dbraw/zinc/97/25/22/1391972522.db2.gz QLUNXAHSQDIHFI-UHFFFAOYSA-N 0 0 348.450 3.485 10 10 EGCERN Cc1cc(CC(=O)Nc2cn(C)c(=O)cc2C)c(C)n1-c1ccccc1 ZINC001354976393 1392182592 /nfs/dbraw/zinc/18/25/92/1392182592.db2.gz GJLUKOANBMRSFM-UHFFFAOYSA-N 0 0 349.434 3.282 10 10 EGCERN CCc1nnc(N2CC=CCC2)n1Cc1ccc(N(C)C)cc1C ZINC001694659942 1406060340 /nfs/dbraw/zinc/06/03/40/1406060340.db2.gz PEFMWRDUIRHJLL-UHFFFAOYSA-N 0 0 325.460 3.030 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCC[C@H]1CCCCO1 ZINC001762515743 1441375975 /nfs/dbraw/zinc/37/59/75/1441375975.db2.gz JDAMFHBAXATKHV-QGZVFWFLSA-N 0 0 344.459 3.278 10 10 EGCERN C[C@@H]1C[C@H]1n1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC001762775859 1441378422 /nfs/dbraw/zinc/37/84/22/1441378422.db2.gz JAZWPVOTXJNUJD-XNRPHZJLSA-N 0 0 328.416 3.053 10 10 EGCERN COCCCCn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001771022194 1441413671 /nfs/dbraw/zinc/41/36/71/1441413671.db2.gz HKVJCDRWUMILLF-UHFFFAOYSA-N 0 0 332.448 3.170 10 10 EGCERN Cc1cc(C)cc(-n2cccc2/C=C2\C(=N)N3N=CSC3=NC2=O)c1 ZINC000020210297 212112518 /nfs/dbraw/zinc/11/25/18/212112518.db2.gz KRZMLYOJKMUFPX-NFHCXAAFSA-N 0 0 349.419 3.343 10 10 EGCERN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000000053178 295289563 /nfs/dbraw/zinc/28/95/63/295289563.db2.gz BNFWMUYNHIPDAX-RVKKMQEKSA-N 0 0 344.411 3.300 10 10 EGCERN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](c2ccccc2)O1 ZINC000180706359 455231490 /nfs/dbraw/zinc/23/14/90/455231490.db2.gz STHUUOCOYAICJC-WDQNXZMDSA-N 0 0 339.391 3.100 10 10 EGCERN COc1ccc([C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173190670 455244782 /nfs/dbraw/zinc/24/47/82/455244782.db2.gz CAAQZXYWGQBWBT-CQSZACIVSA-N 0 0 340.423 3.290 10 10 EGCERN Cc1ccc(-c2cnc(SCC(=O)NCC(F)(F)F)n2C)cc1 ZINC000024939613 453751489 /nfs/dbraw/zinc/75/14/89/453751489.db2.gz KVTIPWCNHHXNKJ-UHFFFAOYSA-N 0 0 343.374 3.166 10 10 EGCERN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OC)cc3)C2=N)S1 ZINC000033306303 453914138 /nfs/dbraw/zinc/91/41/38/453914138.db2.gz OTBPPLDSNQDHQS-ZOXWBLRNSA-N 0 0 328.397 3.114 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1 ZINC000071835027 454228215 /nfs/dbraw/zinc/22/82/15/454228215.db2.gz XFCUYSHTBIFYJM-ZWKOTPCHSA-N 0 0 340.423 3.131 10 10 EGCERN COc1cccc(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000073585361 454454099 /nfs/dbraw/zinc/45/40/99/454454099.db2.gz SKDITLUDNVSZFJ-RYUDHWBXSA-N 0 0 346.349 3.321 10 10 EGCERN CN(C)c1ccc(CNC(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1 ZINC000048310878 454471560 /nfs/dbraw/zinc/47/15/60/454471560.db2.gz LDXHXTLICYLYDV-UHFFFAOYSA-N 0 0 348.397 3.419 10 10 EGCERN COC(=O)CCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266754149 455448339 /nfs/dbraw/zinc/44/83/39/455448339.db2.gz OFRFTVZCTXUFJE-UHFFFAOYSA-N 0 0 349.475 3.016 10 10 EGCERN CC(C)C[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000184831489 455455447 /nfs/dbraw/zinc/45/54/47/455455447.db2.gz KFFGTFCNEFYHBL-CQSZACIVSA-N 0 0 336.451 3.085 10 10 EGCERN COc1cccc(CNC(=O)NC[C@@H](C)c2ccc(C)cc2)c1O ZINC000074360297 454571752 /nfs/dbraw/zinc/57/17/52/454571752.db2.gz YPBKMPNRDKULMI-CQSZACIVSA-N 0 0 328.412 3.312 10 10 EGCERN CCOc1ccc(O)c(CN2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000092790267 454634054 /nfs/dbraw/zinc/63/40/54/454634054.db2.gz DDYAKLGUSVMPDJ-MRXNPFEDSA-N 0 0 334.441 3.129 10 10 EGCERN CC[C@@H](N[C@H]1CCCn2nc(COC)nc21)c1ccc(N(C)C)cc1 ZINC000125268603 454808841 /nfs/dbraw/zinc/80/88/41/454808841.db2.gz HQTGFRHVSJWNDK-SJORKVTESA-N 0 0 343.475 3.066 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1COc2ccccc21 ZINC000108929748 454816446 /nfs/dbraw/zinc/81/64/46/454816446.db2.gz MJUHXVRNNMXBIN-MRXNPFEDSA-N 0 0 326.396 3.448 10 10 EGCERN COC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000171056660 455023029 /nfs/dbraw/zinc/02/30/29/455023029.db2.gz PVMDWIHFPAEZAF-KRWDZBQOSA-N 0 0 345.418 3.079 10 10 EGCERN Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)c(O)c1O ZINC000182956278 455198663 /nfs/dbraw/zinc/19/86/63/455198663.db2.gz RAUAYCBYPHEVTG-MRXNPFEDSA-N 0 0 345.370 3.067 10 10 EGCERN CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000190485677 455328938 /nfs/dbraw/zinc/32/89/38/455328938.db2.gz UDRRAUPNRWWBLF-INIZCTEOSA-N 0 0 345.874 3.395 10 10 EGCERN Cc1cc([C@@H]2CN(Cc3cc4c(cc3O)OCO4)CCO2)ccc1F ZINC000161106393 455533610 /nfs/dbraw/zinc/53/36/10/455533610.db2.gz IFVVXTWMVGNVAE-IBGZPJMESA-N 0 0 345.370 3.142 10 10 EGCERN CSCCCN1C(=O)/C(=C/c2ccc(F)nc2C)SC1=S ZINC000278229641 455792112 /nfs/dbraw/zinc/79/21/12/455792112.db2.gz KCRRSHRPKZIFAC-FLIBITNWSA-N 0 0 342.486 3.483 10 10 EGCERN COc1ccccc1[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294138083 455806002 /nfs/dbraw/zinc/80/60/02/455806002.db2.gz HFNAQNRYFZUVFY-HNNXBMFYSA-N 0 0 325.767 3.017 10 10 EGCERN CN(C)c1ccc(/C=C\C=c2sc3nc4ccccc4n3c2=O)cc1 ZINC000252617591 455823961 /nfs/dbraw/zinc/82/39/61/455823961.db2.gz KWQJZYFOXOSVDT-DRTZDNAPSA-N 0 0 347.443 3.188 10 10 EGCERN C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187766639 455950264 /nfs/dbraw/zinc/95/02/64/455950264.db2.gz MHWMIRFNCQBPHM-GWCFXTLKSA-N 0 0 332.350 3.447 10 10 EGCERN COc1ccc(N2CCN(C(=O)CC(C)(C)C(F)(F)F)CC2)cc1 ZINC000280950714 456092081 /nfs/dbraw/zinc/09/20/81/456092081.db2.gz JROQJNSUDJUQIA-UHFFFAOYSA-N 0 0 344.377 3.322 10 10 EGCERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1ccccc1O ZINC000188614321 456096504 /nfs/dbraw/zinc/09/65/04/456096504.db2.gz QNIAVORBHMYORH-INIZCTEOSA-N 0 0 326.396 3.366 10 10 EGCERN CN(C)c1ccc(CNC(=O)CCC(=O)c2cccc(F)c2)cc1F ZINC000271011291 456096912 /nfs/dbraw/zinc/09/69/12/456096912.db2.gz DFKMIHCFRATHON-UHFFFAOYSA-N 0 0 346.377 3.310 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000281162153 456150727 /nfs/dbraw/zinc/15/07/27/456150727.db2.gz WWOQZUUMFLUDGJ-RYUDHWBXSA-N 0 0 344.415 3.018 10 10 EGCERN CN(Cc1ccccc1Cl)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301596188 456155557 /nfs/dbraw/zinc/15/55/57/456155557.db2.gz GAWKBGUEUZQKEU-UHFFFAOYSA-N 0 0 347.758 3.216 10 10 EGCERN CCOC1(C)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000292007442 456828314 /nfs/dbraw/zinc/82/83/14/456828314.db2.gz ZDSQJVHTPLNWOK-SOFGYWHQSA-N 0 0 348.399 3.176 10 10 EGCERN Cc1nc2c(s1)[C@@H](NC(=O)N(C)Cc1ccccc1O)CCC2 ZINC000360990078 457493956 /nfs/dbraw/zinc/49/39/56/457493956.db2.gz OBHNUKQMJMHCBD-AWEZNQCLSA-N 0 0 331.441 3.376 10 10 EGCERN Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000364726825 457681071 /nfs/dbraw/zinc/68/10/71/457681071.db2.gz YUSKEOAVBOXQSA-GOSISDBHSA-N 0 0 342.483 3.315 10 10 EGCERN CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1[O-] ZINC000367547751 457962408 /nfs/dbraw/zinc/96/24/08/457962408.db2.gz ACEHNXOPEAVWRP-GUYCJALGSA-N 0 0 348.878 3.489 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCOC3(C)C)ccc21 ZINC000452476383 458500947 /nfs/dbraw/zinc/50/09/47/458500947.db2.gz OCGAINGQSZNTDJ-SFHVURJKSA-N 0 0 344.455 3.202 10 10 EGCERN Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c(O)c1O ZINC000530047127 458671725 /nfs/dbraw/zinc/67/17/25/458671725.db2.gz BAXSWGLNDDSUMV-VHDGCEQUSA-N 0 0 329.783 3.128 10 10 EGCERN COc1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000527792576 459738062 /nfs/dbraw/zinc/73/80/62/459738062.db2.gz CLWQLVPGBHZXDG-UHFFFAOYSA-N 0 0 327.211 3.435 10 10 EGCERN CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527951709 459780588 /nfs/dbraw/zinc/78/05/88/459780588.db2.gz DGHWHHORLMMOAD-RWMBFGLXSA-N 0 0 334.243 3.280 10 10 EGCERN O=C([C@H]1CCCC12CC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000528881582 459816113 /nfs/dbraw/zinc/81/61/13/459816113.db2.gz IQZLACPHSFGXKO-DLBZAZTESA-N 0 0 329.440 3.480 10 10 EGCERN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c(C)n1[C@@H]1CCOC1 ZINC000529512486 459830070 /nfs/dbraw/zinc/83/00/70/459830070.db2.gz OPWAXMBJFRKISJ-OAHLLOKOSA-N 0 0 348.830 3.355 10 10 EGCERN CO[C@@H](C)CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000726702631 574567216 /nfs/dbraw/zinc/56/72/16/574567216.db2.gz OCAPMGCFKLNPBF-INIZCTEOSA-N 0 0 343.471 3.361 10 10 EGCERN Cc1cc(CCNC(=O)N[C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000730063510 574917182 /nfs/dbraw/zinc/91/71/82/574917182.db2.gz HCGUNAQRIQJEMW-GOSISDBHSA-N 0 0 341.455 3.115 10 10 EGCERN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000732352662 575261447 /nfs/dbraw/zinc/26/14/47/575261447.db2.gz AXWAKDXALJAMDC-NWDGAFQWSA-N 0 0 345.420 3.367 10 10 EGCERN Cc1cnn(-c2ccc(C(=O)NCc3ccc(N(C)C)cc3C)cc2)c1 ZINC000734406368 575481635 /nfs/dbraw/zinc/48/16/35/575481635.db2.gz WLCJMSOPTFUMTP-UHFFFAOYSA-N 0 0 348.450 3.485 10 10 EGCERN Cc1ncc(Cl)c(C(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000742057031 576745326 /nfs/dbraw/zinc/74/53/26/576745326.db2.gz HYJLCVGESXSTLE-UHFFFAOYSA-N 0 0 344.846 3.359 10 10 EGCERN Cc1cc(C(=O)CS[C@H](C)CO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000742460698 576785633 /nfs/dbraw/zinc/78/56/33/576785633.db2.gz XHYFUSRNMFCMEL-GFCCVEGCSA-N 0 0 347.436 3.120 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)OCC[C@@H](C)OC)ccc21 ZINC000744310557 576825080 /nfs/dbraw/zinc/82/50/80/576825080.db2.gz VXBDTEWLWFLBAA-CYBMUJFWSA-N 0 0 333.428 3.486 10 10 EGCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2cnccc21 ZINC000744466689 576829115 /nfs/dbraw/zinc/82/91/15/576829115.db2.gz BBYIWLILQUXNOU-UHFFFAOYSA-N 0 0 333.391 3.324 10 10 EGCERN CC[C@@H](OC)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000744637196 576832237 /nfs/dbraw/zinc/83/22/37/576832237.db2.gz GUKGFZOXUODQQN-GOSISDBHSA-N 0 0 347.386 3.384 10 10 EGCERN Cc1ccc(C(=O)OCc2ccn(-c3ccc(F)cc3)n2)c(O)c1O ZINC000744910486 576836786 /nfs/dbraw/zinc/83/67/86/576836786.db2.gz PNMBENAOLMYXHK-UHFFFAOYSA-N 0 0 342.326 3.088 10 10 EGCERN C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708100791 1298234853 /nfs/dbraw/zinc/23/48/53/1298234853.db2.gz VUCOPIKJWSHNGJ-SNVBAGLBSA-N 0 0 347.684 3.240 10 10 EGCERN COc1ccc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC000092973995 1292904086 /nfs/dbraw/zinc/90/40/86/1292904086.db2.gz HXPGFPIQUCAMFZ-SFHVURJKSA-N 0 0 335.350 3.253 10 10 EGCERN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](C)CO ZINC000154791545 1294071374 /nfs/dbraw/zinc/07/13/74/1294071374.db2.gz JGAGMPMZUKAFQD-GFCCVEGCSA-N 0 0 334.441 3.062 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C(=O)OC(C)C)c1O ZINC000177202899 1294658991 /nfs/dbraw/zinc/65/89/91/1294658991.db2.gz UWRZPUOLBVHXDQ-HNNXBMFYSA-N 0 0 339.819 3.164 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)NOCc2ccc(F)cc2)c1 ZINC000184653020 1295207908 /nfs/dbraw/zinc/20/79/08/1295207908.db2.gz LYBBLFAMIOSXJW-NSHDSACASA-N 0 0 334.347 3.032 10 10 EGCERN COc1ccc(Cl)cc1NCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871200959 1296269818 /nfs/dbraw/zinc/26/98/18/1296269818.db2.gz ODWYFFGIOBNVKW-UHFFFAOYSA-N 0 0 346.814 3.399 10 10 EGCERN C[C@H](CC(=O)c1ccccc1F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202316 1296271045 /nfs/dbraw/zinc/27/10/45/1296271045.db2.gz DIWMKTCGJMIGBD-GFCCVEGCSA-N 0 0 327.355 3.283 10 10 EGCERN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1Cc2cccc(O)c2C1 ZINC000871203678 1296271209 /nfs/dbraw/zinc/27/12/09/1296271209.db2.gz PVRFJHSSFXFISY-UHFFFAOYSA-N 0 0 347.374 3.476 10 10 EGCERN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724841998 1298350718 /nfs/dbraw/zinc/35/07/18/1298350718.db2.gz JLGGGHNAZUWRJQ-NOZJJQNGSA-N 0 0 346.652 3.419 10 10 EGCERN CSc1nccnc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000878488998 1300032025 /nfs/dbraw/zinc/03/20/25/1300032025.db2.gz LLCPIWAEKJCQJB-UHFFFAOYSA-N 0 0 342.468 3.119 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c1[O-] ZINC000886288944 1303422916 /nfs/dbraw/zinc/42/29/16/1303422916.db2.gz KUEMPWQRCUWCND-LBPRGKRZSA-N 0 0 326.780 3.003 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000895260363 1309262307 /nfs/dbraw/zinc/26/23/07/1309262307.db2.gz QITRKKBFZJQYCJ-OAHLLOKOSA-N 0 0 344.224 3.031 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC000896056711 1309678116 /nfs/dbraw/zinc/67/81/16/1309678116.db2.gz HSMKHOWWRRQJGZ-MRXNPFEDSA-N 0 0 346.471 3.168 10 10 EGCERN CCO[C@@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000896787563 1310014207 /nfs/dbraw/zinc/01/42/07/1310014207.db2.gz MPWJJECYOFLKII-AWEZNQCLSA-N 0 0 337.441 3.494 10 10 EGCERN O=C(NCCOCC1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897943307 1310526075 /nfs/dbraw/zinc/52/60/75/1310526075.db2.gz UTQYKZRDEQPOSE-UHFFFAOYSA-N 0 0 335.425 3.249 10 10 EGCERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898088383 1310582890 /nfs/dbraw/zinc/58/28/90/1310582890.db2.gz MTYMTDLHEOLZPX-PHIMTYICSA-N 0 0 335.425 3.388 10 10 EGCERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898438740 1310734337 /nfs/dbraw/zinc/73/43/37/1310734337.db2.gz MTYMTDLHEOLZPX-XYPYZODXSA-N 0 0 335.425 3.388 10 10 EGCERN C[C@@H]1CC=CC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000898891965 1310863217 /nfs/dbraw/zinc/86/32/17/1310863217.db2.gz IPQFUQLEJMKZNZ-KBAYOESNSA-N 0 0 344.455 3.438 10 10 EGCERN CC1(C)CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)OC1 ZINC000899199665 1310976120 /nfs/dbraw/zinc/97/61/20/1310976120.db2.gz JQAPWMJHIFJAOD-LLVKDONJSA-N 0 0 335.425 3.248 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCn3cncc32)c(C)n1-c1cccc(C)c1 ZINC000857990428 1328650748 /nfs/dbraw/zinc/65/07/48/1328650748.db2.gz UHRYGWOWNSNPEQ-GOSISDBHSA-N 0 0 334.423 3.474 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)c1O ZINC000858036228 1328666647 /nfs/dbraw/zinc/66/66/47/1328666647.db2.gz NITVLGMSCKRPOP-MRXNPFEDSA-N 0 0 344.386 3.091 10 10 EGCERN COc1ccc([C@H](C)NC(=O)NCc2cc(C)ccc2O)cc1F ZINC000858095688 1328680688 /nfs/dbraw/zinc/68/06/88/1328680688.db2.gz PTBWRVITQYTTTR-LBPRGKRZSA-N 0 0 332.375 3.409 10 10 EGCERN COc1nnc(CN2CCCc3cc(OC(F)F)ccc32)s1 ZINC000929894502 1328732523 /nfs/dbraw/zinc/73/25/23/1328732523.db2.gz WNWSWGDSVZZLPE-UHFFFAOYSA-N 0 0 327.356 3.101 10 10 EGCERN CN(C)c1ccc(CN(C(=O)c2cc(C(F)F)ncn2)C2CC2)cc1 ZINC000929932782 1328741853 /nfs/dbraw/zinc/74/18/53/1328741853.db2.gz DXKAVTBZPLKWOY-UHFFFAOYSA-N 0 0 346.381 3.285 10 10 EGCERN CC[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858522607 1328787797 /nfs/dbraw/zinc/78/77/97/1328787797.db2.gz GUJHPUCTKHVNRK-BXUZGUMPSA-N 0 0 333.259 3.070 10 10 EGCERN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000858592933 1328804301 /nfs/dbraw/zinc/80/43/01/1328804301.db2.gz OXZCXLPMDAYKEU-ATZCPNFKSA-N 0 0 332.213 3.369 10 10 EGCERN COc1ccc(C2CC2)cc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000914395563 1319317824 /nfs/dbraw/zinc/31/78/24/1319317824.db2.gz JVIKTEBBESXOPL-YCRREMRBSA-N 0 0 339.391 3.313 10 10 EGCERN COc1ccc(N2CCC(NC(=O)NC[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000916226327 1319622457 /nfs/dbraw/zinc/62/24/57/1319622457.db2.gz PQTPUNRFKWRUMC-QRWLVFNGSA-N 0 0 343.471 3.153 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CC(Cc3ccco3)C2)c([N+](=O)[O-])c1 ZINC000858730918 1328844316 /nfs/dbraw/zinc/84/43/16/1328844316.db2.gz NHPRLDCCUCXFFO-FNORWQNLSA-N 0 0 342.351 3.053 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCC(F)(F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000858776861 1328858572 /nfs/dbraw/zinc/85/85/72/1328858572.db2.gz ANBFQOKFVBXIIY-QZPNVGJNSA-N 0 0 340.326 3.405 10 10 EGCERN C/C=C\C[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000858864414 1328880106 /nfs/dbraw/zinc/88/01/06/1328880106.db2.gz YPFHRFCQWFSWIK-DLGQBQFBSA-N 0 0 331.372 3.108 10 10 EGCERN COc1ccc(O)c(CNC(=O)NCC2CCC(SC)CC2)c1 ZINC000918745851 1321990319 /nfs/dbraw/zinc/99/03/19/1321990319.db2.gz SFDIIWVOMRGQET-UHFFFAOYSA-N 0 0 338.473 3.122 10 10 EGCERN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000919749423 1322103905 /nfs/dbraw/zinc/10/39/05/1322103905.db2.gz VDGRVFJRZJBJIA-UHFFFAOYSA-N 0 0 333.395 3.120 10 10 EGCERN Cc1cnc(CNC(=O)NCCCSc2nccs2)c(C)c1 ZINC000921447648 1322317460 /nfs/dbraw/zinc/31/74/60/1322317460.db2.gz OZIUIBMDSRESIB-UHFFFAOYSA-N 0 0 336.486 3.137 10 10 EGCERN CN(C)c1cc(F)c(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1F ZINC000922751130 1322609178 /nfs/dbraw/zinc/60/91/78/1322609178.db2.gz LYAXLSYYHDABME-AWEZNQCLSA-N 0 0 339.352 3.003 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1c2ccccc2CC[C@@H]1F ZINC000924028695 1322877589 /nfs/dbraw/zinc/87/75/89/1322877589.db2.gz BUMWFJWVAMXFPZ-RDJZCZTQSA-N 0 0 332.350 3.356 10 10 EGCERN C[C@@]1(CNC(=O)NCc2c(O)cccc2F)CCOC2(CCC2)C1 ZINC000924051525 1322885407 /nfs/dbraw/zinc/88/54/07/1322885407.db2.gz LIIJYRGYMBMWAU-QGZVFWFLSA-N 0 0 336.407 3.070 10 10 EGCERN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc(O)cc(F)c1 ZINC000924711632 1323126612 /nfs/dbraw/zinc/12/66/12/1323126612.db2.gz UEEMTVHQKILBJX-ZDUSSCGKSA-N 0 0 348.393 3.358 10 10 EGCERN COC(=O)c1cc(NC(=O)N2Cc3cccc(O)c3C2)c(C)s1 ZINC000931713844 1329170121 /nfs/dbraw/zinc/17/01/21/1329170121.db2.gz BKKSMHYUEOEFCM-UHFFFAOYSA-N 0 0 332.381 3.096 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)OCc2ccccc2C)c1 ZINC000860241076 1329181838 /nfs/dbraw/zinc/18/18/38/1329181838.db2.gz GMURHUQDBMPSGR-CABCVRRESA-N 0 0 343.423 3.492 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000925169154 1325071443 /nfs/dbraw/zinc/07/14/43/1325071443.db2.gz JDSNFWRNPLMFKW-YWPYICTPSA-N 0 0 348.830 3.246 10 10 EGCERN C[C@@H](COCC1CCCCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000925742912 1325278283 /nfs/dbraw/zinc/27/82/83/1325278283.db2.gz YTUPKFHBTQFOJA-AWEZNQCLSA-N 0 0 332.444 3.403 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000926389354 1325537118 /nfs/dbraw/zinc/53/71/18/1325537118.db2.gz WOXALLAYKYOKSS-OCCSQVGLSA-N 0 0 346.349 3.034 10 10 EGCERN Cc1cc(C(F)F)oc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000860696624 1329345576 /nfs/dbraw/zinc/34/55/76/1329345576.db2.gz XZJYHXVUNLCGEV-SECBINFHSA-N 0 0 325.311 3.298 10 10 EGCERN C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000926963143 1327800330 /nfs/dbraw/zinc/80/03/30/1327800330.db2.gz MMPMBUNRUZBFMA-UFBFGSQYSA-N 0 0 326.309 3.204 10 10 EGCERN C[C@H](NC(=O)NC[C@]1(c2ccccc2)CCCO1)c1ccccc1O ZINC000927681057 1328103221 /nfs/dbraw/zinc/10/32/21/1328103221.db2.gz SHXBSNKYHCVVDK-YWZLYKJASA-N 0 0 340.423 3.458 10 10 EGCERN Cc1cn(C)nc1NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000861216049 1329398403 /nfs/dbraw/zinc/39/84/03/1329398403.db2.gz BEJLDZFMRAXLKF-UHFFFAOYSA-N 0 0 337.427 3.458 10 10 EGCERN CC(C)Cn1ncc(C(=O)NCc2c(O)cccc2F)c1C(F)F ZINC000928705269 1328403925 /nfs/dbraw/zinc/40/39/25/1328403925.db2.gz IQDNCAYLEPQCBL-UHFFFAOYSA-N 0 0 341.333 3.251 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000861498940 1329422153 /nfs/dbraw/zinc/42/21/53/1329422153.db2.gz JDQNZTQXXWOJMB-VQTJNVASSA-N 0 0 336.435 3.364 10 10 EGCERN CC(C)(CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C1CC1 ZINC000929000472 1328486484 /nfs/dbraw/zinc/48/64/84/1328486484.db2.gz HEIZPULTLCVIGD-UHFFFAOYSA-N 0 0 336.819 3.246 10 10 EGCERN COCC1(C(=O)NCc2ccc3cccnc3c2O)CCCCC1 ZINC000862025045 1329455824 /nfs/dbraw/zinc/45/58/24/1329455824.db2.gz LYCWYBJJHLYBLU-UHFFFAOYSA-N 0 0 328.412 3.154 10 10 EGCERN CCC1(N2CCOCC2)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000862536185 1329493545 /nfs/dbraw/zinc/49/35/45/1329493545.db2.gz HEZBPTGHBNNJFG-UHFFFAOYSA-N 0 0 338.879 3.122 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000863224153 1329535980 /nfs/dbraw/zinc/53/59/80/1329535980.db2.gz NGMQHPSDJFFDHQ-HNAYVOBHSA-N 0 0 344.480 3.390 10 10 EGCERN CCOC1CC2(C[C@@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000864786850 1329642445 /nfs/dbraw/zinc/64/24/45/1329642445.db2.gz ZXOVIOMTOOCYMM-OBXNSHGQSA-N 0 0 342.483 3.449 10 10 EGCERN COc1ccc(N2CCC(Nc3ccc([C@@H](C)O)cn3)CC2)cc1 ZINC000865501082 1329705878 /nfs/dbraw/zinc/70/58/78/1329705878.db2.gz MYTAYFJOFKEMRO-CQSZACIVSA-N 0 0 327.428 3.224 10 10 EGCERN COc1ccc(N2CCC(Nc3cccc(C(C)=O)n3)CC2)cc1 ZINC000865501239 1329705881 /nfs/dbraw/zinc/70/58/81/1329705881.db2.gz SLZFMFNCQSKCDF-UHFFFAOYSA-N 0 0 325.412 3.374 10 10 EGCERN CCN(C)c1ccc([C@H](C)NCc2nnc(C3CCOCC3)[nH]2)cc1 ZINC000866440720 1330112970 /nfs/dbraw/zinc/11/29/70/1330112970.db2.gz HGPOSPWQPFCVNU-AWEZNQCLSA-N 0 0 343.475 3.006 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)CCc1nnc(C(F)F)o1 ZINC000866598433 1330131654 /nfs/dbraw/zinc/13/16/54/1330131654.db2.gz CMGOBYAIZJRUHQ-UHFFFAOYSA-N 0 0 339.342 3.084 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC000867301808 1330192426 /nfs/dbraw/zinc/19/24/26/1330192426.db2.gz FKBDJJMLCOSCFV-LBPRGKRZSA-N 0 0 341.407 3.172 10 10 EGCERN COc1ccc(CNC(=O)[C@H](C)CC(=O)c2ccc(F)cc2)c(O)c1 ZINC000867956028 1330232765 /nfs/dbraw/zinc/23/27/65/1330232765.db2.gz KKCFAOFRFWULDZ-GFCCVEGCSA-N 0 0 345.370 3.065 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]2CSC[C@@H]2C1 ZINC000868111999 1330250868 /nfs/dbraw/zinc/25/08/68/1330250868.db2.gz ITLYNMGJYOMBHA-IRXDYDNUSA-N 0 0 345.512 3.181 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)C1(C(F)F)CCC1 ZINC000868307276 1330268817 /nfs/dbraw/zinc/26/88/17/1330268817.db2.gz WEVYBOZBYXVBAT-UHFFFAOYSA-N 0 0 334.160 3.206 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCCC34CC4)C2)cc1 ZINC000868720081 1330323455 /nfs/dbraw/zinc/32/34/55/1330323455.db2.gz GXBKVWNUCXMSFY-QAPCUYQASA-N 0 0 343.471 3.153 10 10 EGCERN C[C@H](NC(=O)NCc1cnccc1C(F)(F)F)c1ccccc1O ZINC000868793334 1330345814 /nfs/dbraw/zinc/34/58/14/1330345814.db2.gz SEVXWYDCYJDRBU-JTQLQIEISA-N 0 0 339.317 3.366 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)c3cscc3Cl)C2)cc1 ZINC000869229210 1330442311 /nfs/dbraw/zinc/44/23/11/1330442311.db2.gz TYBHBFOTZJJXES-LLVKDONJSA-N 0 0 336.844 3.419 10 10 EGCERN Cn1ncc([N+](=O)[O-])c1N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001184915963 1387561671 /nfs/dbraw/zinc/56/16/71/1387561671.db2.gz IWPDBQVWRVIUKL-UHFFFAOYSA-N 0 0 341.346 3.242 10 10 EGCERN CN(C)c1ccc(/C=C\CNc2ccnn2C[C@@H]2CCOC2)cc1 ZINC001325575213 1388005223 /nfs/dbraw/zinc/00/52/23/1388005223.db2.gz WJYYVLQRJCXPFM-LIMHQNJXSA-N 0 0 326.444 3.111 10 10 EGCERN CN(C)c1ccc(/C=C/CNc2ccnn2C[C@@H]2CCOC2)cc1 ZINC001325575210 1388005523 /nfs/dbraw/zinc/00/55/23/1388005523.db2.gz WJYYVLQRJCXPFM-IDOMTICXSA-N 0 0 326.444 3.111 10 10 EGCERN COC(=O)c1cnc(NCc2c(O)cccc2F)cc1C(F)(F)F ZINC001187677130 1388140929 /nfs/dbraw/zinc/14/09/29/1388140929.db2.gz JKLQVAFBAOITEU-UHFFFAOYSA-N 0 0 344.264 3.344 10 10 EGCERN COC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC001123641312 1372536430 /nfs/dbraw/zinc/53/64/30/1372536430.db2.gz DSKYEGKJFSAIST-MRXNPFEDSA-N 0 0 332.375 3.060 10 10 EGCERN C[C@@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 ZINC001124549089 1372710584 /nfs/dbraw/zinc/71/05/84/1372710584.db2.gz BVKIMCGSDPIWSH-QFBILLFUSA-N 0 0 330.472 3.450 10 10 EGCERN C/C(=C/C(=O)N1CCc2cccc(C(F)(F)F)c21)c1cnccn1 ZINC001128776852 1373310297 /nfs/dbraw/zinc/31/02/97/1373310297.db2.gz CQJZVXOKYRBGGJ-LUAWRHEFSA-N 0 0 333.313 3.488 10 10 EGCERN CCCC[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032317 1375107837 /nfs/dbraw/zinc/10/78/37/1375107837.db2.gz RVFIDGTUPPOQQF-HNNXBMFYSA-N 0 0 334.460 3.179 10 10 EGCERN Cc1cn(C(C)(C)C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001136025726 1377302893 /nfs/dbraw/zinc/30/28/93/1377302893.db2.gz WOZCLPFWUDDATE-UHFFFAOYSA-N 0 0 340.471 3.185 10 10 EGCERN Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001136207101 1377364277 /nfs/dbraw/zinc/36/42/77/1377364277.db2.gz YNNXGWPZEJIAJE-UHFFFAOYSA-N 0 0 337.379 3.082 10 10 EGCERN CN(CCc1ccccc1F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136638753 1377411675 /nfs/dbraw/zinc/41/16/75/1377411675.db2.gz KZTKLLLAXNCBPG-UHFFFAOYSA-N 0 0 328.347 3.303 10 10 EGCERN CC(C)(C)c1cccc(OCCNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001136828450 1377427344 /nfs/dbraw/zinc/42/73/44/1377427344.db2.gz YSTNUGGLUPFYJM-UHFFFAOYSA-N 0 0 343.423 3.133 10 10 EGCERN CCNc1cccnc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001137443164 1377548652 /nfs/dbraw/zinc/54/86/52/1377548652.db2.gz FSJOBBOHDVOKIS-UHFFFAOYSA-N 0 0 325.412 3.028 10 10 EGCERN C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001137469832 1377552605 /nfs/dbraw/zinc/55/26/05/1377552605.db2.gz VYSPNKRWYNVIQM-SNVBAGLBSA-N 0 0 343.404 3.379 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)cc(F)c2N)c1 ZINC001137473155 1377553891 /nfs/dbraw/zinc/55/38/91/1377553891.db2.gz AMVOYKIFWOFGIK-MRVPVSSYSA-N 0 0 338.766 3.267 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ncccc2-c2ccccn2)c1 ZINC001137473304 1377554106 /nfs/dbraw/zinc/55/41/06/1377554106.db2.gz FMSOFZABEGUIKD-CYBMUJFWSA-N 0 0 349.390 3.349 10 10 EGCERN CCc1cnccc1[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137846014 1377629625 /nfs/dbraw/zinc/62/96/25/1377629625.db2.gz AHBGEAURGXTPFA-NSHDSACASA-N 0 0 325.372 3.297 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H](CO)[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC001139270575 1377860750 /nfs/dbraw/zinc/86/07/50/1377860750.db2.gz ZGASCZAPEBGXAG-NVXWUHKLSA-N 0 0 326.440 3.245 10 10 EGCERN CC[C@](C)(CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)OC ZINC001141203908 1378268917 /nfs/dbraw/zinc/26/89/17/1378268917.db2.gz GRNHHUFEQAJWNN-HXUWFJFHSA-N 0 0 342.439 3.452 10 10 EGCERN O=C(N[C@H](CO)CC1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001142641230 1378467517 /nfs/dbraw/zinc/46/75/17/1378467517.db2.gz WCBBELSKHCISPB-ZDUSSCGKSA-N 0 0 349.452 3.374 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCOc2ccccc21 ZINC001142728020 1378481562 /nfs/dbraw/zinc/48/15/62/1378481562.db2.gz KVPIFMAMPXIHPJ-MRXNPFEDSA-N 0 0 334.375 3.123 10 10 EGCERN O=C(CCc1ccc(F)cc1F)NCc1ccc2cccnc2c1O ZINC001142727645 1378481563 /nfs/dbraw/zinc/48/15/63/1378481563.db2.gz CHARQPLWPMYXPR-UHFFFAOYSA-N 0 0 342.345 3.468 10 10 EGCERN COc1cccc(CCC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142727992 1378481568 /nfs/dbraw/zinc/48/15/68/1378481568.db2.gz JMMPPAQZFQVLAX-UHFFFAOYSA-N 0 0 336.391 3.198 10 10 EGCERN C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)c1nccs1 ZINC001152059508 1379853761 /nfs/dbraw/zinc/85/37/61/1379853761.db2.gz XYSGTCGSQLUCJC-SNVBAGLBSA-N 0 0 331.401 3.181 10 10 EGCERN O=C(NCCCSc1nccs1)c1cccc2c1COCC2 ZINC001327988077 1388639110 /nfs/dbraw/zinc/63/91/10/1388639110.db2.gz QKVQZIPFSTUQIP-UHFFFAOYSA-N 0 0 334.466 3.128 10 10 EGCERN CCCCOc1ccc(C(=O)NCc2cc(O)ccc2O)cc1OC ZINC001153879352 1380148458 /nfs/dbraw/zinc/14/84/58/1380148458.db2.gz LKTMVTBVIMJPNV-UHFFFAOYSA-N 0 0 345.395 3.215 10 10 EGCERN C[S@@](=O)(=NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCCC1 ZINC001156288272 1380552712 /nfs/dbraw/zinc/55/27/12/1380552712.db2.gz PKYMLVYJNMRXAB-QHCPKHFHSA-N 0 0 336.417 3.420 10 10 EGCERN O=C(CN1CCc2ccccc21)NCc1c(O)ccc2ccccc21 ZINC001157041837 1380758221 /nfs/dbraw/zinc/75/82/21/1380758221.db2.gz PTYBAIVLWKPGAZ-UHFFFAOYSA-N 0 0 332.403 3.224 10 10 EGCERN COc1ccc(C(=O)NCc2c(O)ccc3ccccc32)c(N)c1F ZINC001157050756 1380761744 /nfs/dbraw/zinc/76/17/44/1380761744.db2.gz KZZUGIHXPTUOFN-UHFFFAOYSA-N 0 0 340.354 3.205 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N2COCC2(C)C)CCCC1 ZINC001287458706 1381214895 /nfs/dbraw/zinc/21/48/95/1381214895.db2.gz PAVYLORKTRVKJU-UHFFFAOYSA-N 0 0 342.439 3.124 10 10 EGCERN Cc1cc(C(=O)NC[C@@H]2OCc3ccccc32)c(C)n1-c1ccccn1 ZINC001159536667 1381819756 /nfs/dbraw/zinc/81/97/56/1381819756.db2.gz UWALGXPSTUMEDB-IBGZPJMESA-N 0 0 347.418 3.490 10 10 EGCERN CC1=CC(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)=S=C1C=O ZINC001160060614 1381985895 /nfs/dbraw/zinc/98/58/95/1381985895.db2.gz UECJNTKUJYTINI-UHFFFAOYSA-N 0 0 336.416 3.232 10 10 EGCERN Cc1cccnc1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001290223742 1382069549 /nfs/dbraw/zinc/06/95/49/1382069549.db2.gz CJMVUMOPLUTUDL-UHFFFAOYSA-N 0 0 349.438 3.249 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@H]1COC(C)(C)O1 ZINC001291849087 1382158878 /nfs/dbraw/zinc/15/88/78/1382158878.db2.gz AJMSUHRJYYJWJD-JYBLJSLWSA-N 0 0 346.471 3.197 10 10 EGCERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(O)c1O ZINC001292086590 1382168044 /nfs/dbraw/zinc/16/80/44/1382168044.db2.gz XZQHBWCYSANMEE-UHFFFAOYSA-N 0 0 330.340 3.057 10 10 EGCERN Cc1ccn2cnc(C(=O)NCc3c(O)ccc4c3CCCC4)c2c1 ZINC001294869141 1382517170 /nfs/dbraw/zinc/51/71/70/1382517170.db2.gz KDMPEZXFDOYEFJ-UHFFFAOYSA-N 0 0 335.407 3.157 10 10 EGCERN CC[C@@H](OCCNC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC001165261286 1383260885 /nfs/dbraw/zinc/26/08/85/1383260885.db2.gz PBCOERNSLLVCCP-MRXNPFEDSA-N 0 0 329.396 3.304 10 10 EGCERN O=C(Cc1cccc2cnccc21)NCc1cc(Cl)ccc1O ZINC001165508667 1383305341 /nfs/dbraw/zinc/30/53/41/1383305341.db2.gz SNNMNRZPCQWCMS-UHFFFAOYSA-N 0 0 326.783 3.453 10 10 EGCERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001298809451 1383432501 /nfs/dbraw/zinc/43/25/01/1383432501.db2.gz PADVMAZYTOWEOK-YVMONPNESA-N 0 0 328.324 3.275 10 10 EGCERN Cc1cn2c(nc(CSc3ncc(Cl)s3)cc2=O)s1 ZINC001166595659 1383443156 /nfs/dbraw/zinc/44/31/56/1383443156.db2.gz XYWHLFVOFFRVCC-UHFFFAOYSA-N 0 0 329.859 3.467 10 10 EGCERN COC(=O)[C@H](C)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001299306244 1383505377 /nfs/dbraw/zinc/50/53/77/1383505377.db2.gz KGJILGXTAJMLEZ-ZVTBTPLYSA-N 0 0 341.363 3.026 10 10 EGCERN Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(O)cc1O ZINC001299571114 1383572321 /nfs/dbraw/zinc/57/23/21/1383572321.db2.gz QGDMZPNTXAFLBF-UHFFFAOYSA-N 0 0 334.375 3.398 10 10 EGCERN O=C(CCOCc1ccccc1)NCc1ccc2cccnc2c1O ZINC001299721920 1383622643 /nfs/dbraw/zinc/62/26/43/1383622643.db2.gz WBPCNHXIIWBREJ-UHFFFAOYSA-N 0 0 336.391 3.164 10 10 EGCERN CCN(CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC001167834316 1383753210 /nfs/dbraw/zinc/75/32/10/1383753210.db2.gz FDLFPKXSYWFIKO-LPHOPBHVSA-N 0 0 348.487 3.233 10 10 EGCERN Cc1cc(CC(=O)N2C[C@@H](O)CC(C)(C)C2)c(C)n1-c1ccccc1 ZINC001302516252 1383756275 /nfs/dbraw/zinc/75/62/75/1383756275.db2.gz AGOGIZBQJXSZPJ-IBGZPJMESA-N 0 0 340.467 3.256 10 10 EGCERN Cc1cccc(OCCCCC(=O)NCc2cc(O)ccc2O)c1 ZINC001303223349 1383788261 /nfs/dbraw/zinc/78/82/61/1383788261.db2.gz LOINWHDHNNRJDE-UHFFFAOYSA-N 0 0 329.396 3.272 10 10 EGCERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304089920 1383828785 /nfs/dbraw/zinc/82/87/85/1383828785.db2.gz QXWOAIKSCHWEDS-RBZFPXEDSA-N 0 0 349.386 3.390 10 10 EGCERN CC(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001306980683 1383929172 /nfs/dbraw/zinc/92/91/72/1383929172.db2.gz ZFKKPDVCJXBDNP-QGZVFWFLSA-N 0 0 328.368 3.255 10 10 EGCERN CCC[N@H+](CCN1CCCCC1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001170173532 1384255336 /nfs/dbraw/zinc/25/53/36/1384255336.db2.gz SHRCCNPYEMLJNZ-UHFFFAOYSA-N 0 0 336.451 3.432 10 10 EGCERN Cc1cncc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001312412463 1384346504 /nfs/dbraw/zinc/34/65/04/1384346504.db2.gz PGMYBQIXXMCSQS-UHFFFAOYSA-N 0 0 338.455 3.332 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC001312549083 1384356767 /nfs/dbraw/zinc/35/67/67/1384356767.db2.gz PFGYRDXTWCFPOG-SFHVURJKSA-N 0 0 345.487 3.386 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC001313061540 1384392193 /nfs/dbraw/zinc/39/21/93/1384392193.db2.gz BTCHDQXSHPNWPJ-ZACQAIPSSA-N 0 0 345.487 3.209 10 10 EGCERN Cc1cc(CNC(=O)N(C)[C@H](C)CCO)c(C)n1-c1cccc(C)c1 ZINC001313133196 1384398845 /nfs/dbraw/zinc/39/88/45/1384398845.db2.gz SIVWUTIXWGQYMQ-OAHLLOKOSA-N 0 0 343.471 3.315 10 10 EGCERN Cc1cc(CNC(=O)c2cnc(C)n2C)c(C)n1-c1cccc(C)c1 ZINC001170856592 1384399709 /nfs/dbraw/zinc/39/97/09/1384399709.db2.gz AYZWPEPSPQENIO-UHFFFAOYSA-N 0 0 336.439 3.374 10 10 EGCERN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC(=O)N(C)CC1CC1 ZINC001171352317 1384499903 /nfs/dbraw/zinc/49/99/03/1384499903.db2.gz DJUWBORJFYMEMS-QGZVFWFLSA-N 0 0 330.472 3.198 10 10 EGCERN C[C@@H](NC(=O)CCn1sc2ccccc2c1=O)c1ccccc1O ZINC001171723465 1384614052 /nfs/dbraw/zinc/61/40/52/1384614052.db2.gz RRJZXVDKGRTXFI-GFCCVEGCSA-N 0 0 342.420 3.036 10 10 EGCERN O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1cccc(O)c1O ZINC001177101657 1385812030 /nfs/dbraw/zinc/81/20/30/1385812030.db2.gz RFNAIUQNWAOLNT-UHFFFAOYSA-N 0 0 346.692 3.095 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc(N2CCCCCC2)nc1 ZINC001178412664 1386210329 /nfs/dbraw/zinc/21/03/29/1386210329.db2.gz DBZUTLZFWQCVMH-UHFFFAOYSA-N 0 0 343.402 3.237 10 10 EGCERN C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1c(O)cccc1O ZINC001178910949 1386346402 /nfs/dbraw/zinc/34/64/02/1386346402.db2.gz JBWUZVQPCWPIOD-CYBMUJFWSA-N 0 0 337.375 3.335 10 10 EGCERN Cc1c(Br)csc1C(=O)NCc1c(O)cccc1O ZINC001178917464 1386348832 /nfs/dbraw/zinc/34/88/32/1386348832.db2.gz PFOOZKYOYXJTTD-UHFFFAOYSA-N 0 0 342.214 3.160 10 10 EGCERN CC1(C)CC[C@@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)OC1 ZINC001179404501 1386477281 /nfs/dbraw/zinc/47/72/81/1386477281.db2.gz FVJYMIPLDDKYMF-AWEZNQCLSA-N 0 0 332.404 3.174 10 10 EGCERN CCOc1ccc(N2CCN([C@H](C)c3snnc3C)CC2)cc1 ZINC001333871078 1390425634 /nfs/dbraw/zinc/42/56/34/1390425634.db2.gz JGVFNRBLELKGKI-CQSZACIVSA-N 0 0 332.473 3.128 10 10 EGCERN CCOc1ccc(N2CCN([C@@H](C)c3snnc3C)CC2)cc1 ZINC001333871077 1390425761 /nfs/dbraw/zinc/42/57/61/1390425761.db2.gz JGVFNRBLELKGKI-AWEZNQCLSA-N 0 0 332.473 3.128 10 10 EGCERN COC(=O)c1sccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001346173443 1390913142 /nfs/dbraw/zinc/91/31/42/1390913142.db2.gz POEPVADXHQPBHP-UHFFFAOYSA-N 0 0 344.436 3.065 10 10 EGCERN O=C(CCc1ccc(F)c2c1CCCC2)NCc1cccc(O)c1O ZINC001347234521 1391035332 /nfs/dbraw/zinc/03/53/32/1391035332.db2.gz OUPQICNHIDTBRT-UHFFFAOYSA-N 0 0 343.398 3.365 10 10 EGCERN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cc2cnccc2o1 ZINC001687409559 1396361813 /nfs/dbraw/zinc/36/18/13/1396361813.db2.gz XCIMARHPMYZHEO-GFCCVEGCSA-N 0 0 325.368 3.436 10 10 EGCERN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cc2cnccc2o1 ZINC001687409560 1396361971 /nfs/dbraw/zinc/36/19/71/1396361971.db2.gz XCIMARHPMYZHEO-LBPRGKRZSA-N 0 0 325.368 3.436 10 10 EGCERN C[C@@H](NC(=O)NCc1cc2ccccc2[nH]c1=O)c1ccccc1O ZINC001687871049 1396515414 /nfs/dbraw/zinc/51/54/14/1396515414.db2.gz KPVOEMCGDJIPOZ-GFCCVEGCSA-N 0 0 337.379 3.206 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC[C@H]1C[C@H](F)C1 ZINC001694638894 1406056695 /nfs/dbraw/zinc/05/66/95/1406056695.db2.gz YGBVVFYHWTVJLM-CTYIDZIISA-N 0 0 332.423 3.321 10 10 EGCERN CCc1nnc(N2CCC(C)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001694677722 1406061989 /nfs/dbraw/zinc/06/19/89/1406061989.db2.gz MGKCZHMMVQSEJJ-UHFFFAOYSA-N 0 0 341.503 3.500 10 10 EGCERN CCC/C=C\CCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001714954758 1419695212 /nfs/dbraw/zinc/69/52/12/1419695212.db2.gz RCMOGVKYNDCPSO-SXTFPRKVSA-N 0 0 343.431 3.009 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCCC1 ZINC001723144546 1424307662 /nfs/dbraw/zinc/30/76/62/1424307662.db2.gz RWSZWRIYLYYMMP-UHFFFAOYSA-N 0 0 344.459 3.049 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC1(SC)CCC1 ZINC001727507493 1427106951 /nfs/dbraw/zinc/10/69/51/1427106951.db2.gz OGNKRMBVHCQZED-UHFFFAOYSA-N 0 0 346.500 3.468 10 10 EGCERN CCCCCn1c(COCC)nnc1N(C)Cc1ccccc1O ZINC001764021072 1441387165 /nfs/dbraw/zinc/38/71/65/1441387165.db2.gz VUCNVPDMCHBBHO-UHFFFAOYSA-N 0 0 332.448 3.347 10 10 EGCERN O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756378352 1126107835 /nfs/dbraw/zinc/10/78/35/1126107835.db2.gz DVAXXDBDEYAJME-MRXNPFEDSA-N 0 0 349.789 3.200 10 10 EGCERN Cn1ccnc1C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000015910910 211867242 /nfs/dbraw/zinc/86/72/42/211867242.db2.gz NLIUCVUCTHBNMB-UHFFFAOYSA-N 0 0 329.359 3.405 10 10 EGCERN CSC1=NSC2=NC(=O)/C(=C\c3ccc(Cl)cc3)C(=N)N12 ZINC000020114568 278126712 /nfs/dbraw/zinc/12/67/12/278126712.db2.gz UVGLJPXAKGKELE-KUHKOJGPSA-N 0 0 336.829 3.280 10 10 EGCERN CC(=O)c1cccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)c1 ZINC000000118124 452511980 /nfs/dbraw/zinc/51/19/80/452511980.db2.gz KFRBBUQJQUPYHJ-UHFFFAOYSA-N 0 0 340.331 3.369 10 10 EGCERN CN=C1NN=C(c2cc(C)n(-c3ccc(OC)cc3)c2C)CS1 ZINC000007781600 453115523 /nfs/dbraw/zinc/11/55/23/453115523.db2.gz QLDLEYBCZZRSFL-UHFFFAOYSA-N 0 0 328.441 3.129 10 10 EGCERN CNc1nc(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc21 ZINC000024599146 453739739 /nfs/dbraw/zinc/73/97/39/453739739.db2.gz TUWSDHSHGJRTSJ-UHFFFAOYSA-N 0 0 341.392 3.058 10 10 EGCERN Cc1cc(C(=O)NCC2CCC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000026145038 453793530 /nfs/dbraw/zinc/79/35/30/453793530.db2.gz SLPJRDWFSLJNQV-UHFFFAOYSA-N 0 0 340.423 3.395 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000190693921 455367812 /nfs/dbraw/zinc/36/78/12/455367812.db2.gz RVOBNZFIFKPSDM-MRXNPFEDSA-N 0 0 342.395 3.032 10 10 EGCERN COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1cc(Cl)ccc1O)N2 ZINC000030539550 453836407 /nfs/dbraw/zinc/83/64/07/453836407.db2.gz SCEBSEYGUWITFN-INIZCTEOSA-N 0 0 348.786 3.259 10 10 EGCERN COc1ccc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000058179138 454168723 /nfs/dbraw/zinc/16/87/23/454168723.db2.gz HSWAFJODHDXJIF-CQSZACIVSA-N 0 0 330.432 3.085 10 10 EGCERN CCn1cnnc1CNC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C ZINC000047021629 454320089 /nfs/dbraw/zinc/32/00/89/454320089.db2.gz WINVJQNRDIBYQO-ZHACJKMWSA-N 0 0 349.438 3.035 10 10 EGCERN CC1(C)C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000122047364 454505948 /nfs/dbraw/zinc/50/59/48/454505948.db2.gz ORNAKCRZBPIECP-HNNXBMFYSA-N 0 0 338.398 3.419 10 10 EGCERN COc1cccc(CNC(=O)NC[C@H](C)c2ccc(C)cc2)c1O ZINC000074360291 454571101 /nfs/dbraw/zinc/57/11/01/454571101.db2.gz YPBKMPNRDKULMI-AWEZNQCLSA-N 0 0 328.412 3.312 10 10 EGCERN CN(C)c1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000092811773 454637990 /nfs/dbraw/zinc/63/79/90/454637990.db2.gz CZIWDLFMRYENJH-GOSISDBHSA-N 0 0 339.487 3.408 10 10 EGCERN O=C(/C=C/C1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203129 454694991 /nfs/dbraw/zinc/69/49/91/454694991.db2.gz DCPVLXPJIYBYDG-SEIPJRMCSA-N 0 0 336.382 3.339 10 10 EGCERN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])N1CCOCC1 ZINC000184936033 455475811 /nfs/dbraw/zinc/47/58/11/455475811.db2.gz CJKUIGGBEGBSOP-MNOVXSKESA-N 0 0 333.259 3.070 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000109080792 454820274 /nfs/dbraw/zinc/82/02/74/454820274.db2.gz YORSOFRXCVHZOS-CVEARBPZSA-N 0 0 330.378 3.451 10 10 EGCERN COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000185066003 455495420 /nfs/dbraw/zinc/49/54/20/455495420.db2.gz GXQIVFSTRMADHS-NSHDSACASA-N 0 0 335.375 3.408 10 10 EGCERN Cc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(O)c1O ZINC000179518408 455054761 /nfs/dbraw/zinc/05/47/61/455054761.db2.gz ACRZEZWQRCDHTO-UHFFFAOYSA-N 0 0 344.386 3.262 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c(O)c1O ZINC000179526877 455056221 /nfs/dbraw/zinc/05/62/21/455056221.db2.gz WRZHNJHMMSDDSB-NVXWUHKLSA-N 0 0 341.407 3.135 10 10 EGCERN COc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1OC ZINC000160117638 455429872 /nfs/dbraw/zinc/42/98/72/455429872.db2.gz LAVQXAUBGOGVMS-VLIAUNLRSA-N 0 0 343.423 3.371 10 10 EGCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000175506724 455455446 /nfs/dbraw/zinc/45/54/46/455455446.db2.gz OSTVTSPOOWLYJL-HIFRSBDPSA-N 0 0 348.443 3.044 10 10 EGCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000175506705 455455543 /nfs/dbraw/zinc/45/55/43/455455543.db2.gz OSTVTSPOOWLYJL-UKRRQHHQSA-N 0 0 348.443 3.044 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000175652890 455477120 /nfs/dbraw/zinc/47/71/20/455477120.db2.gz AEXSFNWEYMZFMX-QGZVFWFLSA-N 0 0 345.418 3.421 10 10 EGCERN COc1ccc(N(C)Cc2cc(-c3cnn(C)c3)no2)cc1Cl ZINC000185022906 455487815 /nfs/dbraw/zinc/48/78/15/455487815.db2.gz UYTGKTUGEUVDMF-UHFFFAOYSA-N 0 0 332.791 3.374 10 10 EGCERN C[C@@H](CCC(=O)NCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000192364871 455598025 /nfs/dbraw/zinc/59/80/25/455598025.db2.gz GRMNMKXMBUCARE-AWEZNQCLSA-N 0 0 349.475 3.062 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000277754805 455655701 /nfs/dbraw/zinc/65/57/01/455655701.db2.gz NVYWBJOHENPNCB-ZDUSSCGKSA-N 0 0 329.366 3.237 10 10 EGCERN CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2)ncn1 ZINC000248391746 455711942 /nfs/dbraw/zinc/71/19/42/455711942.db2.gz VIKAUABZFBNOSA-GDBMZVCRSA-N 0 0 326.444 3.064 10 10 EGCERN Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000295462298 455849885 /nfs/dbraw/zinc/84/98/85/455849885.db2.gz WACQEZBIRQNHKZ-SNVBAGLBSA-N 0 0 325.771 3.256 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnn2c1CCCC2 ZINC000269725996 455852810 /nfs/dbraw/zinc/85/28/10/455852810.db2.gz UMISZEXPEQWPRI-UHFFFAOYSA-N 0 0 340.471 3.336 10 10 EGCERN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cn[nH]c1 ZINC000270167416 455892827 /nfs/dbraw/zinc/89/28/27/455892827.db2.gz BUPVHPLXXXPBKU-OAHLLOKOSA-N 0 0 341.459 3.206 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCCc2ncccc2C)cc1 ZINC000296490968 455954218 /nfs/dbraw/zinc/95/42/18/455954218.db2.gz YBEBZOCGMRVYSZ-UHFFFAOYSA-N 0 0 340.471 3.278 10 10 EGCERN CCOCc1nc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2O)no1 ZINC000290092004 456238039 /nfs/dbraw/zinc/23/80/39/456238039.db2.gz HLYUHCSNFAILJR-NXEZZACHSA-N 0 0 325.796 3.377 10 10 EGCERN Cc1cccnc1-c1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000273753508 456244923 /nfs/dbraw/zinc/24/49/23/456244923.db2.gz RSRFLHCTPORZAF-RMKNXTFCSA-N 0 0 348.406 3.447 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1ccc2nnn(C)c2c1 ZINC000282388264 456497472 /nfs/dbraw/zinc/49/74/72/456497472.db2.gz DGLOLJREVGNOOC-UHFFFAOYSA-N 0 0 338.411 3.116 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000283565137 456804523 /nfs/dbraw/zinc/80/45/23/456804523.db2.gz INAIGFVUURRANI-CQSZACIVSA-N 0 0 344.459 3.367 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1F ZINC000291952939 456808830 /nfs/dbraw/zinc/80/88/30/456808830.db2.gz UPZPTTNDXDUTLK-ZBFHGGJFSA-N 0 0 341.377 3.078 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000292158287 456871690 /nfs/dbraw/zinc/87/16/90/456871690.db2.gz XNIXVUQNSAGEKD-UHFFFAOYSA-N 0 0 328.416 3.447 10 10 EGCERN CCc1nnc2ccc(N3CC=C(c4ccc(Cl)nc4)CC3)nn21 ZINC000367396969 457953039 /nfs/dbraw/zinc/95/30/39/457953039.db2.gz PAKMQKLMOXPGNG-UHFFFAOYSA-N 0 0 340.818 3.029 10 10 EGCERN CCOc1ccc(CN2CCc3nc(C(C)C)ncc3C2)c(O)c1 ZINC000527617612 459671056 /nfs/dbraw/zinc/67/10/56/459671056.db2.gz BENNGAMZOWJTTP-UHFFFAOYSA-N 0 0 327.428 3.263 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1 ZINC000527766468 459729169 /nfs/dbraw/zinc/72/91/69/459729169.db2.gz OEWYODORUAULNX-ABAIWWIYSA-N 0 0 326.234 3.120 10 10 EGCERN C[C@@]1(Br)C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000528859527 459815713 /nfs/dbraw/zinc/81/57/13/459815713.db2.gz DKXKBGSOLABACJ-XJKSGUPXSA-N 0 0 338.245 3.061 10 10 EGCERN COc1ccc(CNC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)c(O)c1 ZINC000529226968 459826381 /nfs/dbraw/zinc/82/63/81/459826381.db2.gz HMADFRLZLYWELR-MRXNPFEDSA-N 0 0 349.333 3.117 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)CC(F)(F)F ZINC000611658690 460423600 /nfs/dbraw/zinc/42/36/00/460423600.db2.gz YJGXKGYYEFVFRF-UHFFFAOYSA-N 0 0 330.350 3.457 10 10 EGCERN Cc1cc(CCNC(=O)[C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000727726025 574687453 /nfs/dbraw/zinc/68/74/53/574687453.db2.gz MZBORLCHCNWEDE-SFHVURJKSA-N 0 0 326.440 3.179 10 10 EGCERN COc1cccc(CNC(=O)c2csc(Br)c2)c1O ZINC000727762116 574689150 /nfs/dbraw/zinc/68/91/50/574689150.db2.gz AGUDYBAOKYTJGY-UHFFFAOYSA-N 0 0 342.214 3.155 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(cc2O)CCCC3)c1 ZINC000729534880 574869102 /nfs/dbraw/zinc/86/91/02/574869102.db2.gz FIRKDOBHJHQKEK-GFCCVEGCSA-N 0 0 341.407 3.476 10 10 EGCERN CCOc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000730020247 574905171 /nfs/dbraw/zinc/90/51/71/574905171.db2.gz CLQMVXLVRZCGJU-UHFFFAOYSA-N 0 0 345.418 3.290 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)OCC(=O)C3CC3)c2C)cc1 ZINC000731694423 575199114 /nfs/dbraw/zinc/19/91/14/575199114.db2.gz SDEGQTOLJNSNPR-UHFFFAOYSA-N 0 0 327.380 3.239 10 10 EGCERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCSc1nccs1 ZINC000733974074 575416953 /nfs/dbraw/zinc/41/69/53/575416953.db2.gz FHYBHIWQVIAIOH-UHFFFAOYSA-N 0 0 337.426 3.272 10 10 EGCERN CCOc1ccc(O)c(CN2CCN(Cc3cccs3)CC2)c1 ZINC000119905463 1293293302 /nfs/dbraw/zinc/29/33/02/1293293302.db2.gz CFZTXABJGQDDND-UHFFFAOYSA-N 0 0 332.469 3.170 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000173579559 1294466450 /nfs/dbraw/zinc/46/64/50/1294466450.db2.gz AYKUROAVFXWTSW-UONOGXRCSA-N 0 0 333.334 3.099 10 10 EGCERN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cccc(O)c1O ZINC000188368606 1295455866 /nfs/dbraw/zinc/45/58/66/1295455866.db2.gz LZMUSJWLNCVUQY-UHFFFAOYSA-N 0 0 336.351 3.013 10 10 EGCERN CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000191378243 1295674012 /nfs/dbraw/zinc/67/40/12/1295674012.db2.gz DPUAJUHZUMMKMA-IEBWSBKVSA-N 0 0 345.487 3.290 10 10 EGCERN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204311 1296271475 /nfs/dbraw/zinc/27/14/75/1296271475.db2.gz CJLWCCIDSYEFSR-UHFFFAOYSA-N 0 0 335.407 3.380 10 10 EGCERN CCCN(CCC)C(=O)CCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203037 1296271755 /nfs/dbraw/zinc/27/17/55/1296271755.db2.gz PZCMXZXCESSCNR-UHFFFAOYSA-N 0 0 332.444 3.053 10 10 EGCERN O=C(CN1CCC(O)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254497632 1296473162 /nfs/dbraw/zinc/47/31/62/1296473162.db2.gz LPHGOHMFSQKHIA-UHFFFAOYSA-N 0 0 338.411 3.497 10 10 EGCERN COc1cccc(Nc2ccc(NC[C@@H](O)CC(C)(C)O)cc2)c1 ZINC000872215573 1296816917 /nfs/dbraw/zinc/81/69/17/1296816917.db2.gz BZRBZGQADPLWNG-KRWDZBQOSA-N 0 0 330.428 3.373 10 10 EGCERN CN(C)c1ccc(CN(C(=O)[C@]23CCC[C@H]2OCC3)C2CC2)cc1 ZINC000875118190 1298234998 /nfs/dbraw/zinc/23/49/98/1298234998.db2.gz QMGBZTDNHFRMMT-QUCCMNQESA-N 0 0 328.456 3.203 10 10 EGCERN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000878292272 1299895346 /nfs/dbraw/zinc/89/53/46/1299895346.db2.gz HZPRYSKLBMJDDJ-WMZOPIPTSA-N 0 0 330.497 3.292 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@@H](COC)C3)ccc21 ZINC000882100581 1301828034 /nfs/dbraw/zinc/82/80/34/1301828034.db2.gz LAHOAALDWZHDSR-WOVMCDHWSA-N 0 0 344.455 3.059 10 10 EGCERN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890762523 1304873891 /nfs/dbraw/zinc/87/38/91/1304873891.db2.gz GABLUIMQVXFCKS-NWDGAFQWSA-N 0 0 339.819 3.030 10 10 EGCERN CC(C)(C)OC(=O)N[C@@H](CC(F)F)CN1Cc2cccc(O)c2C1 ZINC000895450109 1309343849 /nfs/dbraw/zinc/34/38/49/1309343849.db2.gz SYDRIAQUTVAHBS-LBPRGKRZSA-N 0 0 342.386 3.256 10 10 EGCERN [O-]c1c(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)ccc(F)c1F ZINC000895801247 1309527725 /nfs/dbraw/zinc/52/77/25/1309527725.db2.gz ZHRYKHMVSVGBEI-AWEZNQCLSA-N 0 0 341.398 3.126 10 10 EGCERN C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(Cl)c(F)cc3[O-])O2)CO1 ZINC000895818994 1309534989 /nfs/dbraw/zinc/53/49/89/1309534989.db2.gz HCNKCDZNRNIGDV-SIVJFFJCSA-N 0 0 329.799 3.001 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2[nH]cnc2c1F ZINC000896692753 1309975545 /nfs/dbraw/zinc/97/55/45/1309975545.db2.gz VCQRYGLWINOMMJ-UHFFFAOYSA-N 0 0 339.370 3.216 10 10 EGCERN Cn1ncc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1C1CC1 ZINC000897416553 1310328899 /nfs/dbraw/zinc/32/88/99/1310328899.db2.gz DMZCKGXFEOIJON-UHFFFAOYSA-N 0 0 329.381 3.176 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000897861837 1310496322 /nfs/dbraw/zinc/49/63/22/1310496322.db2.gz QVXUBTWIQQPHCF-FUHWJXTLSA-N 0 0 345.420 3.096 10 10 EGCERN O=C(NCCC1CC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897941461 1310524491 /nfs/dbraw/zinc/52/44/91/1310524491.db2.gz BMLANJFDHVFDSR-UHFFFAOYSA-N 0 0 327.352 3.478 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000898075970 1310579954 /nfs/dbraw/zinc/57/99/54/1310579954.db2.gz KSZTXOQEQQSRNW-DGCLKSJQSA-N 0 0 347.436 3.344 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000899172612 1310965680 /nfs/dbraw/zinc/96/56/80/1310965680.db2.gz DGHCQQQDJFJOHG-AGIUHOORSA-N 0 0 347.436 3.078 10 10 EGCERN CCN(CC)c1ccc(CN(C)Cc2noc3c2COCC3)cc1 ZINC000929183834 1328529872 /nfs/dbraw/zinc/52/98/72/1328529872.db2.gz FTFPZJUZNBYVDC-UHFFFAOYSA-N 0 0 329.444 3.226 10 10 EGCERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929537578 1328629106 /nfs/dbraw/zinc/62/91/06/1328629106.db2.gz PYPDDBXLFZWECD-UIXUWTQFSA-N 0 0 342.483 3.164 10 10 EGCERN CC1(C)CO[C@@H](CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899455525 1317043176 /nfs/dbraw/zinc/04/31/76/1317043176.db2.gz LBBOCRLYLXWECV-NSHDSACASA-N 0 0 335.425 3.248 10 10 EGCERN CCc1onc(C)c1CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000929824660 1328711629 /nfs/dbraw/zinc/71/16/29/1328711629.db2.gz XSXIFYPDVZOBAG-UHFFFAOYSA-N 0 0 333.407 3.015 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCCSCC1 ZINC000858545898 1328792071 /nfs/dbraw/zinc/79/20/71/1328792071.db2.gz WTFCJWGRHXQEOA-UHFFFAOYSA-N 0 0 342.464 3.486 10 10 EGCERN C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000858604027 1328807438 /nfs/dbraw/zinc/80/74/38/1328807438.db2.gz ZCNNPINZQRBBBT-QMTHXVAHSA-N 0 0 342.361 3.215 10 10 EGCERN COc1ccc([C@H](C)NC(=O)NCc2cc(C)ccc2O)c(OC)c1 ZINC000858780754 1328859365 /nfs/dbraw/zinc/85/93/65/1328859365.db2.gz SAFMUKXLDDBHSC-ZDUSSCGKSA-N 0 0 344.411 3.278 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858913067 1328889427 /nfs/dbraw/zinc/88/94/27/1328889427.db2.gz SJWBICILQTUZKR-MJGOQNOKSA-N 0 0 345.487 3.242 10 10 EGCERN COc1ccc(N(C)CCN(C)Cc2nc(C(C)C)ns2)cc1 ZINC000930853729 1328987670 /nfs/dbraw/zinc/98/76/70/1328987670.db2.gz XOBFRZOMJLGMLS-UHFFFAOYSA-N 0 0 334.489 3.238 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(F)cc2C)c1 ZINC000918746656 1321989540 /nfs/dbraw/zinc/98/95/40/1321989540.db2.gz ZYHUTKAVVIWXDD-GFCCVEGCSA-N 0 0 332.375 3.409 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000930905748 1329003029 /nfs/dbraw/zinc/00/30/29/1329003029.db2.gz OJKKHZWFCSGLMX-OALUTQOASA-N 0 0 330.472 3.449 10 10 EGCERN Cc1ccc(C(=O)OCC(=O)C(C)(C)c2ccccc2)c(O)c1O ZINC000859535692 1329011832 /nfs/dbraw/zinc/01/18/32/1329011832.db2.gz XIAZJHLTWJCBAQ-UHFFFAOYSA-N 0 0 328.364 3.110 10 10 EGCERN CN(C)Cc1csc(CNCc2ccc(N3CCCCC3)cc2)n1 ZINC000922490118 1322541419 /nfs/dbraw/zinc/54/14/19/1322541419.db2.gz OLUIPAXMGTXSJO-UHFFFAOYSA-N 0 0 344.528 3.485 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)NCCC3CC=CC3)C2)cc1 ZINC000922950247 1322657664 /nfs/dbraw/zinc/65/76/64/1322657664.db2.gz GKSJHPMRDGXJTN-QGZVFWFLSA-N 0 0 343.471 3.177 10 10 EGCERN CN(C)c1ccc(/C=C\CNCc2nc3c(s2)COCC3)cc1 ZINC000922960279 1322662265 /nfs/dbraw/zinc/66/22/65/1322662265.db2.gz CUFMOCJKCJQQOG-ARJAWSKDSA-N 0 0 329.469 3.085 10 10 EGCERN O=C(COC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1ccc(O)c(O)c1 ZINC000860150882 1329160582 /nfs/dbraw/zinc/16/05/82/1329160582.db2.gz IBDNNOWYTJOCGY-LSDHHAIUSA-N 0 0 344.338 3.157 10 10 EGCERN C[C@@H](NC(=O)N[C@@H]1c2ccccc2OC[C@H]1F)c1ccccc1O ZINC000925133808 1325058726 /nfs/dbraw/zinc/05/87/26/1325058726.db2.gz DUHDZDRMNAROQQ-JDSLSITLSA-N 0 0 330.359 3.224 10 10 EGCERN O=C(NCCC1CC=CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000926709104 1327677790 /nfs/dbraw/zinc/67/77/90/1327677790.db2.gz ZCLVAOHRLNRHHH-SFHVURJKSA-N 0 0 344.455 3.439 10 10 EGCERN COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)c(C)c1OC ZINC000927729355 1328121481 /nfs/dbraw/zinc/12/14/81/1328121481.db2.gz SSJJSWDOJWUAGQ-ZDUSSCGKSA-N 0 0 344.411 3.278 10 10 EGCERN Cc1nc(C2CCC2)sc1CC(=O)NCc1c(O)cccc1F ZINC000928711866 1328407166 /nfs/dbraw/zinc/40/71/66/1328407166.db2.gz VDIVGOZUGFRPME-UHFFFAOYSA-N 0 0 334.416 3.423 10 10 EGCERN COc1cnc(F)c(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000861588387 1329428452 /nfs/dbraw/zinc/42/84/52/1329428452.db2.gz CRSUBGRAZBEYGG-UHFFFAOYSA-N 0 0 345.374 3.135 10 10 EGCERN C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862028058 1329456104 /nfs/dbraw/zinc/45/61/04/1329456104.db2.gz OIZBIAUKDJTZIA-CZUORRHYSA-N 0 0 328.412 3.152 10 10 EGCERN Cc1noc(C)c1[C@@H](C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862027342 1329456166 /nfs/dbraw/zinc/45/61/66/1329456166.db2.gz ODVOCMPMFPYLPT-NSHDSACASA-N 0 0 339.395 3.355 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC3CC2(C)C3)cc1 ZINC000862244602 1329470374 /nfs/dbraw/zinc/47/03/74/1329470374.db2.gz QCJKQKHUDAULNF-UHFFFAOYSA-N 0 0 336.435 3.460 10 10 EGCERN CCC1(CC)CN(Cc2cc(F)c(N(C)C)cc2F)CC[S@@]1=O ZINC000862328834 1329475368 /nfs/dbraw/zinc/47/53/68/1329475368.db2.gz SSGDSXAYZBATOO-QHCPKHFHSA-N 0 0 344.471 3.154 10 10 EGCERN Cc1cc(CNC(=O)Cc2cncnc2)c(C)n1-c1cccc(C)c1 ZINC000863162203 1329531153 /nfs/dbraw/zinc/53/11/53/1329531153.db2.gz XOOZQOAMVNTIJX-UHFFFAOYSA-N 0 0 334.423 3.051 10 10 EGCERN Cc1cc(C(=O)CSCCC(N)=O)c(C)n1-c1ccc(F)cc1 ZINC000863387226 1329551191 /nfs/dbraw/zinc/55/11/91/1329551191.db2.gz ZRFMZVIVFTZSCZ-UHFFFAOYSA-N 0 0 334.416 3.025 10 10 EGCERN Cc1cc(CN2C(=O)N3CC4CC3(C4)C2=O)c(C)n1-c1ccccc1 ZINC000863531899 1329560846 /nfs/dbraw/zinc/56/08/46/1329560846.db2.gz GQOMJOOSKWCYEP-UHFFFAOYSA-N 0 0 335.407 3.021 10 10 EGCERN C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cncnc1 ZINC000863868027 1329586702 /nfs/dbraw/zinc/58/67/02/1329586702.db2.gz TYRNOEJXPFYPFN-MRXNPFEDSA-N 0 0 338.455 3.133 10 10 EGCERN C[C@H](NC(=S)N[C@H]1CCc2ccccc2C1)c1ccccc1O ZINC000865270567 1329681749 /nfs/dbraw/zinc/68/17/49/1329681749.db2.gz WJTNSJOMGGOUBC-BBRMVZONSA-N 0 0 326.465 3.475 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1F ZINC000865636249 1329723596 /nfs/dbraw/zinc/72/35/96/1329723596.db2.gz ACNMCDAEQXTYID-DLBZAZTESA-N 0 0 348.462 3.351 10 10 EGCERN c1cc(NCc2ccc(N3CCOCC3)cc2)c2c(c1)OCCCO2 ZINC000865853690 1329745637 /nfs/dbraw/zinc/74/56/37/1329745637.db2.gz XHZOAJAFRYAIJI-UHFFFAOYSA-N 0 0 340.423 3.297 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000866512916 1330120151 /nfs/dbraw/zinc/12/01/51/1330120151.db2.gz PYERVUVCRVELJH-WBHUJUFNSA-N 0 0 333.428 3.035 10 10 EGCERN C[C@@H](NC(=O)OCCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000866605387 1330132180 /nfs/dbraw/zinc/13/21/80/1330132180.db2.gz NAQGBPREMLXZFP-GFCCVEGCSA-N 0 0 346.349 3.263 10 10 EGCERN COc1c(C)cc(C)cc1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867834505 1330223064 /nfs/dbraw/zinc/22/30/64/1330223064.db2.gz KJSGNMKAJUFQJU-CYBMUJFWSA-N 0 0 335.425 3.057 10 10 EGCERN C[C@H](NC(=O)NC[C@H]1CSc2ccccc2O1)c1ccccc1O ZINC000868733291 1330326644 /nfs/dbraw/zinc/32/66/44/1330326644.db2.gz XXFVLEDHNSJCIP-STQMWFEESA-N 0 0 344.436 3.306 10 10 EGCERN CC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H](O)C(F)F ZINC001324779115 1387770040 /nfs/dbraw/zinc/77/00/40/1387770040.db2.gz WBLSEDQLWWBTAO-HOTGVXAUSA-N 0 0 336.382 3.229 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC[C@H](F)C3)C2)cc1 ZINC001326170212 1388123053 /nfs/dbraw/zinc/12/30/53/1388123053.db2.gz OOPOBZBNYXEAHY-PMPSAXMXSA-N 0 0 334.435 3.166 10 10 EGCERN Oc1cccc(F)c1CNc1ncnc2c1cnn2-c1ccccc1 ZINC001187676840 1388140850 /nfs/dbraw/zinc/14/08/50/1388140850.db2.gz GMJXUFHMPHCAER-UHFFFAOYSA-N 0 0 335.342 3.272 10 10 EGCERN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001124550099 1372711236 /nfs/dbraw/zinc/71/12/36/1372711236.db2.gz YNENFWGIAKNXPY-NVXWUHKLSA-N 0 0 328.456 3.251 10 10 EGCERN C[C@H]1Cc2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)ccc2O1 ZINC001125535415 1372802796 /nfs/dbraw/zinc/80/27/96/1372802796.db2.gz VETDRUTYOUXXFN-LBPRGKRZSA-N 0 0 328.387 3.145 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-c2cnn(C)c2)cc1 ZINC001126083026 1372929736 /nfs/dbraw/zinc/92/97/36/1372929736.db2.gz UELPNMGAKXMCMT-UHFFFAOYSA-N 0 0 348.450 3.392 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N2CCCCO2)CCCC1 ZINC001128023329 1373209276 /nfs/dbraw/zinc/20/92/76/1373209276.db2.gz GWYADMQICNZXLG-UHFFFAOYSA-N 0 0 328.412 3.083 10 10 EGCERN C[C@@H](NC(=O)c1cnc(N(C)C)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC001128137097 1373222460 /nfs/dbraw/zinc/22/24/60/1373222460.db2.gz GVGJGAKRNMDPJM-GFCCVEGCSA-N 0 0 346.862 3.358 10 10 EGCERN CCCCCCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001130826901 1373596067 /nfs/dbraw/zinc/59/60/67/1373596067.db2.gz MNRTTXGECCIOFZ-IAGOWNOFSA-N 0 0 348.487 3.376 10 10 EGCERN Cc1cc(CNC(=O)[C@@H](C)n2cccn2)c(C)n1-c1cccc(C)c1 ZINC001132264377 1375254627 /nfs/dbraw/zinc/25/46/27/1375254627.db2.gz OWYGFCMEAZQEJF-QGZVFWFLSA-N 0 0 336.439 3.476 10 10 EGCERN Cc1cc(C(=O)CSc2ncc[nH]2)c(C)n1-c1ccc(F)cn1 ZINC001188848195 1388390866 /nfs/dbraw/zinc/39/08/66/1388390866.db2.gz BPFPFGKXXQKDNJ-UHFFFAOYSA-N 0 0 330.388 3.326 10 10 EGCERN CCC[C@@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OCC ZINC001230195759 1375965496 /nfs/dbraw/zinc/96/54/96/1375965496.db2.gz QMBNFPZWKCSTFT-LPHOPBHVSA-N 0 0 349.519 3.496 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](C)CC3)C2)cc1 ZINC001230859228 1376166577 /nfs/dbraw/zinc/16/65/77/1376166577.db2.gz URZQIJPCPDSQMM-HOTGVXAUSA-N 0 0 331.460 3.106 10 10 EGCERN Cc1oc(C=O)cc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001135800754 1377214588 /nfs/dbraw/zinc/21/45/88/1377214588.db2.gz OXIUFBRHLTZJMH-UHFFFAOYSA-N 0 0 326.396 3.273 10 10 EGCERN CCNc1ncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)s1 ZINC001136025283 1377303075 /nfs/dbraw/zinc/30/30/75/1377303075.db2.gz DXKKNYOHFHPJQZ-UHFFFAOYSA-N 0 0 344.484 3.447 10 10 EGCERN Cc1ncc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1C ZINC001136446395 1377393421 /nfs/dbraw/zinc/39/34/21/1377393421.db2.gz HDUKLUSBDSTQMH-UHFFFAOYSA-N 0 0 340.471 3.427 10 10 EGCERN Cc1cnc(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)o1 ZINC001136975358 1377448741 /nfs/dbraw/zinc/44/87/41/1377448741.db2.gz GEXGNARVMZJGHS-UHFFFAOYSA-N 0 0 337.379 3.133 10 10 EGCERN C[C@@H](Cc1ccncc1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001137044653 1377465234 /nfs/dbraw/zinc/46/52/34/1377465234.db2.gz IYQLXWPBIZNLPC-JTQLQIEISA-N 0 0 328.393 3.069 10 10 EGCERN CCCN(CC(=O)OC)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001138287468 1377697357 /nfs/dbraw/zinc/69/73/57/1377697357.db2.gz ZFGQJKHVCHXWDI-UHFFFAOYSA-N 0 0 342.439 3.428 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)nc(NC2CC2)c1 ZINC001140198941 1378030545 /nfs/dbraw/zinc/03/05/45/1378030545.db2.gz ZFDQBYPRZIDFJQ-UHFFFAOYSA-N 0 0 346.427 3.086 10 10 EGCERN CCOCc1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001141492390 1378334081 /nfs/dbraw/zinc/33/40/81/1378334081.db2.gz OZGYMTUGXNMCSR-UHFFFAOYSA-N 0 0 340.383 3.316 10 10 EGCERN Cc1c(F)ccc(N)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001141538898 1378341239 /nfs/dbraw/zinc/34/12/39/1378341239.db2.gz XVXJAIVFTKXKHX-UHFFFAOYSA-N 0 0 327.403 3.247 10 10 EGCERN CCO[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC001142465965 1378446314 /nfs/dbraw/zinc/44/63/14/1378446314.db2.gz ZEPWMSCGYCDEEJ-LJQANCHMSA-N 0 0 330.472 3.281 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\c1ccsc1 ZINC001142691052 1378478137 /nfs/dbraw/zinc/47/81/37/1378478137.db2.gz TTZHUEVJIZYKRM-FPLPWBNLSA-N 0 0 345.420 3.059 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001142690101 1378478428 /nfs/dbraw/zinc/47/84/28/1378478428.db2.gz HMGDWIFXPVZVQG-QLPKVWCKSA-N 0 0 347.455 3.356 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCc2cc(F)ccc21 ZINC001142731366 1378482852 /nfs/dbraw/zinc/48/28/52/1378482852.db2.gz WAOLEXROQAEWND-KRWDZBQOSA-N 0 0 336.366 3.426 10 10 EGCERN Cc1[nH]nc(C(F)(F)F)c1C(=O)NCc1cc(Cl)ccc1O ZINC001146231887 1378799685 /nfs/dbraw/zinc/79/96/85/1378799685.db2.gz JBTIWANKQDXPAQ-UHFFFAOYSA-N 0 0 333.697 3.026 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1cccn1Cc1ccncc1 ZINC001146230944 1378799793 /nfs/dbraw/zinc/79/97/93/1378799793.db2.gz AMDIWZIGAYZLGU-UHFFFAOYSA-N 0 0 341.798 3.220 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-c3c[nH]cn3)cc2)c1 ZINC001150544024 1379565077 /nfs/dbraw/zinc/56/50/77/1379565077.db2.gz XLLNZZFRIDHAKZ-LBPRGKRZSA-N 0 0 337.379 3.282 10 10 EGCERN Cc1cc(CNC(=O)c2ncccc2N(C)C)c(C)n1-c1ccccc1 ZINC001151152889 1379668233 /nfs/dbraw/zinc/66/82/33/1379668233.db2.gz GHFCCERIFVTLGT-UHFFFAOYSA-N 0 0 348.450 3.485 10 10 EGCERN O=C(c1ccn(-c2ccc(F)cc2F)n1)N1Cc2cccc(O)c2C1 ZINC001152574398 1379950818 /nfs/dbraw/zinc/95/08/18/1379950818.db2.gz VKZMNADRHKGIAO-UHFFFAOYSA-N 0 0 341.317 3.012 10 10 EGCERN CC(C)Cn1ncc(NC(=O)Cc2ccc(O)c(O)c2)c1C(F)F ZINC001153238039 1380041807 /nfs/dbraw/zinc/04/18/07/1380041807.db2.gz UWKOIUCYSKOMLD-UHFFFAOYSA-N 0 0 339.342 3.069 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1cnc([C@@H](C)O)s1 ZINC001155705224 1380485281 /nfs/dbraw/zinc/48/52/81/1380485281.db2.gz ZDQUGNBAGWGICR-GFCCVEGCSA-N 0 0 334.441 3.345 10 10 EGCERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157042009 1380759244 /nfs/dbraw/zinc/75/92/44/1380759244.db2.gz SMQCEPGFVSYMTI-UHFFFAOYSA-N 0 0 337.335 3.087 10 10 EGCERN CC(C)[C@H](C(=O)NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC001159041557 1381537219 /nfs/dbraw/zinc/53/72/19/1381537219.db2.gz RXGMMDQTJYRFRA-CYBMUJFWSA-N 0 0 341.835 3.276 10 10 EGCERN Cc1cc(C(=O)NC[C@H]2OCc3ccccc32)c(C)n1-c1ccccn1 ZINC001159536668 1381819801 /nfs/dbraw/zinc/81/98/01/1381819801.db2.gz UWALGXPSTUMEDB-LJQANCHMSA-N 0 0 347.418 3.490 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@]1(O)CCC[C@H]1C ZINC001159723630 1381880545 /nfs/dbraw/zinc/88/05/45/1381880545.db2.gz SXUWNHMVJWUWTJ-KZULUSFZSA-N 0 0 332.469 3.437 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](CO)C(C)C)c1 ZINC001160066865 1381987385 /nfs/dbraw/zinc/98/73/85/1381987385.db2.gz GICRFKXHOWDNDS-KRWDZBQOSA-N 0 0 334.847 3.494 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(Cc2c(F)cccc2F)C1 ZINC001294169762 1382424110 /nfs/dbraw/zinc/42/41/10/1382424110.db2.gz DHPKXGLYDSLTTM-FNORWQNLSA-N 0 0 345.345 3.090 10 10 EGCERN Cc1cc(CC(=O)N2CCC[C@@H]2C(C)(C)O)c(C)n1-c1ccccc1 ZINC001295347346 1382612442 /nfs/dbraw/zinc/61/24/42/1382612442.db2.gz LDVRLIYWTPKSCV-LJQANCHMSA-N 0 0 340.467 3.399 10 10 EGCERN O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc(O)cc1O ZINC001162271761 1382718254 /nfs/dbraw/zinc/71/82/54/1382718254.db2.gz QJVOJNNKPVXVHF-UHFFFAOYSA-N 0 0 333.771 3.031 10 10 EGCERN O=C(NCc1ccc(O)cc1O)C(F)(F)c1cccc(Cl)c1 ZINC001162278725 1382719473 /nfs/dbraw/zinc/71/94/73/1382719473.db2.gz KTBNSBROYNVETA-UHFFFAOYSA-N 0 0 327.714 3.159 10 10 EGCERN CN(C)c1ccc(CNc2ncnc(F)c2Br)cc1F ZINC001162307677 1382726794 /nfs/dbraw/zinc/72/67/94/1382726794.db2.gz BJWTYOUXGJIBIO-UHFFFAOYSA-N 0 0 343.175 3.195 10 10 EGCERN CCCCN(CCOC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001162423500 1382755100 /nfs/dbraw/zinc/75/51/00/1382755100.db2.gz ACXBBVWFRLZWAQ-VQHVLOKHSA-N 0 0 336.388 3.034 10 10 EGCERN Cc1cc(C(=O)N(C[C@@H](C)O)C2CC2)c(C)n1-c1ccccc1C ZINC001164134081 1383159643 /nfs/dbraw/zinc/15/96/43/1383159643.db2.gz DKQSTTUDMWEPHC-OAHLLOKOSA-N 0 0 326.440 3.388 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccn(-c2ccc(Cl)cc2)n1 ZINC001164135722 1383160106 /nfs/dbraw/zinc/16/01/06/1383160106.db2.gz YJGLPPFAGPDYGA-UHFFFAOYSA-N 0 0 343.770 3.118 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1[C@@H]1C[C@H]1CF ZINC001298364474 1383397271 /nfs/dbraw/zinc/39/72/71/1383397271.db2.gz CBTCSYXVHSWGOW-LSDHHAIUSA-N 0 0 330.407 3.103 10 10 EGCERN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001299160415 1383478023 /nfs/dbraw/zinc/47/80/23/1383478023.db2.gz JMQKSCPWFCYFAX-JWJUJFCLSA-N 0 0 329.371 3.340 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cc(F)c(F)cc1F ZINC001299721427 1383622858 /nfs/dbraw/zinc/62/28/58/1383622858.db2.gz KRGRKGNWXVWMDZ-UHFFFAOYSA-N 0 0 332.281 3.288 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001299747998 1383625431 /nfs/dbraw/zinc/62/54/31/1383625431.db2.gz DZWFZSMWDNANEC-PBHICJAKSA-N 0 0 326.331 3.216 10 10 EGCERN CC(=O)CC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCC1 ZINC001299788215 1383628290 /nfs/dbraw/zinc/62/82/90/1383628290.db2.gz DPMGQDPEEZHBIC-UHFFFAOYSA-N 0 0 328.456 3.443 10 10 EGCERN Cc1cc(C)n2ccc(C(=O)NCc3cc(Cl)ccc3O)c2n1 ZINC001300395885 1383662160 /nfs/dbraw/zinc/66/21/60/1383662160.db2.gz GMYGPXQLOUPVQN-UHFFFAOYSA-N 0 0 329.787 3.240 10 10 EGCERN Cc1c(C(=O)NCc2cc(C)ccc2O)cnn1-c1ccccc1C ZINC001301047016 1383692226 /nfs/dbraw/zinc/69/22/26/1383692226.db2.gz PUNMMPXLEWQQAV-UHFFFAOYSA-N 0 0 335.407 3.433 10 10 EGCERN CCN1CC[C@H]1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001302262335 1383745461 /nfs/dbraw/zinc/74/54/61/1383745461.db2.gz PWLIQBCYRJOYJG-IBGZPJMESA-N 0 0 325.456 3.113 10 10 EGCERN O=C(CCCCC(=O)c1ccc(F)cc1)NCc1cc(O)ccc1O ZINC001303225732 1383788817 /nfs/dbraw/zinc/78/88/17/1383788817.db2.gz OWOAWMUSLIUPIR-UHFFFAOYSA-N 0 0 345.370 3.296 10 10 EGCERN Cc1cc(C(=O)Nc2cnnn2C)c(C)n1-c1ccc(Cl)cc1 ZINC001304099587 1383829897 /nfs/dbraw/zinc/82/98/97/1383829897.db2.gz ACNWNVVEODYQBK-UHFFFAOYSA-N 0 0 329.791 3.128 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3=O)cc1 ZINC001305984536 1383866231 /nfs/dbraw/zinc/86/62/31/1383866231.db2.gz JOJNJMYRCXMAMP-UHFFFAOYSA-N 0 0 343.368 3.077 10 10 EGCERN Cc1cn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)c(=O)s1 ZINC001307402754 1383984048 /nfs/dbraw/zinc/98/40/48/1383984048.db2.gz WTFFGSIYMURVCA-UHFFFAOYSA-N 0 0 345.399 3.043 10 10 EGCERN CCC[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001312994742 1384384801 /nfs/dbraw/zinc/38/48/01/1384384801.db2.gz MCZOBZCICLQVLU-RDJZCZTQSA-N 0 0 331.460 3.248 10 10 EGCERN COc1ccc(CNC(=O)NCc2cc3cc(C)ccc3o2)c(O)c1 ZINC001313016675 1384386775 /nfs/dbraw/zinc/38/67/75/1384386775.db2.gz QUNHYBGZBPBLEF-UHFFFAOYSA-N 0 0 340.379 3.455 10 10 EGCERN COCCCCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001316018570 1384455431 /nfs/dbraw/zinc/45/54/31/1384455431.db2.gz UQAKSGBISYPXBM-UHFFFAOYSA-N 0 0 346.475 3.344 10 10 EGCERN C[C@H](NC(=O)c1cc(N(C)C)nc2ccccc21)c1ccccc1O ZINC001171730570 1384617292 /nfs/dbraw/zinc/61/72/92/1384617292.db2.gz OTWSIPTUNDMZLD-ZDUSSCGKSA-N 0 0 335.407 3.497 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1cc(-c2ccccc2)ns1 ZINC001176748494 1385681401 /nfs/dbraw/zinc/68/14/01/1385681401.db2.gz ULNGQFWCNGHYGO-UHFFFAOYSA-N 0 0 326.377 3.151 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1nc2ccccc2cc1C1CC1 ZINC001176756154 1385684887 /nfs/dbraw/zinc/68/48/87/1385684887.db2.gz YZMMEUVBZDFJLM-UHFFFAOYSA-N 0 0 334.375 3.453 10 10 EGCERN C[C@@](O)(Cc1ccccc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033537 1386384391 /nfs/dbraw/zinc/38/43/91/1386384391.db2.gz XZSFOMJUVJJPLO-OAQYLSRUSA-N 0 0 335.403 3.155 10 10 EGCERN CN(C)c1cc(F)c(CNc2cccc3c2OCC[C@@H]3O)cc1F ZINC001329722000 1389209305 /nfs/dbraw/zinc/20/93/05/1389209305.db2.gz IRMBUKGGEIQNRP-KRWDZBQOSA-N 0 0 334.366 3.459 10 10 EGCERN Cc1cc(C(=O)N2C[C@H](O)C3(CC3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001338447492 1389686297 /nfs/dbraw/zinc/68/62/97/1389686297.db2.gz MQVTYQKHILUPGT-KRWDZBQOSA-N 0 0 344.842 3.344 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Cc2nc(C)c(C)s2)cc1 ZINC001338669318 1389726134 /nfs/dbraw/zinc/72/61/34/1389726134.db2.gz GBVVCFXRHDNXMO-UHFFFAOYSA-N 0 0 331.485 3.465 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncc2nc[nH]c21 ZINC001333717630 1390382340 /nfs/dbraw/zinc/38/23/40/1390382340.db2.gz AOGFCYJXCBYOQB-UHFFFAOYSA-N 0 0 349.438 3.220 10 10 EGCERN C[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C[C@H](C)O1 ZINC001346099147 1390907461 /nfs/dbraw/zinc/90/74/61/1390907461.db2.gz JIWIZZMHTRJQCY-NEPJUHHUSA-N 0 0 348.472 3.126 10 10 EGCERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349106721 1391303068 /nfs/dbraw/zinc/30/30/68/1391303068.db2.gz QAAAOCFTYMABHL-BEFAXECRSA-N 0 0 328.456 3.251 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(Cl)cn1 ZINC001349120111 1391304231 /nfs/dbraw/zinc/30/42/31/1391304231.db2.gz XFSICVBCQFUFMO-UHFFFAOYSA-N 0 0 330.819 3.002 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)no2)cc1 ZINC001350777110 1391529598 /nfs/dbraw/zinc/52/95/98/1391529598.db2.gz WVONQYIJRCDUDT-UHFFFAOYSA-N 0 0 339.370 3.477 10 10 EGCERN CCn1cc(CN(Cc2ccco2)c2ccc(OC)c(F)c2)nn1 ZINC001351078018 1391593104 /nfs/dbraw/zinc/59/31/04/1391593104.db2.gz JJKLBAQBPCQISQ-UHFFFAOYSA-N 0 0 330.363 3.246 10 10 EGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001351386448 1391635157 /nfs/dbraw/zinc/63/51/57/1391635157.db2.gz ALGHZEGLQSCELH-OSYLJGHBSA-N 0 0 346.446 3.105 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC1(Cl)Cl ZINC001352615581 1391823439 /nfs/dbraw/zinc/82/34/39/1391823439.db2.gz QOUFQRIGVYNCLU-AWEZNQCLSA-N 0 0 327.255 3.439 10 10 EGCERN C/C(=C\C(=O)N1C[C@H](C)Oc2ccc(Cl)cc21)c1cnccn1 ZINC001354553349 1392152259 /nfs/dbraw/zinc/15/22/59/1392152259.db2.gz BTRHBJHUDIQUFC-VNKGSWCUSA-N 0 0 329.787 3.347 10 10 EGCERN CCOC(=O)CN(C(=O)/C=C/c1cccnc1C)c1ccccc1F ZINC001355075966 1392191718 /nfs/dbraw/zinc/19/17/18/1392191718.db2.gz QOKBBXOMSLQGET-ZHACJKMWSA-N 0 0 342.370 3.139 10 10 EGCERN Cc1nnc(N2CCC(C)CC2)n1CCCSc1nccs1 ZINC001492800417 1396324365 /nfs/dbraw/zinc/32/43/65/1396324365.db2.gz DZVAHYSVKVMYFJ-UHFFFAOYSA-N 0 0 337.518 3.462 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC001687590391 1396417723 /nfs/dbraw/zinc/41/77/23/1396417723.db2.gz BLBQPAASWRGLIZ-GOSISDBHSA-N 0 0 347.503 3.489 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCSC(F)(F)F ZINC001693459413 1406016499 /nfs/dbraw/zinc/01/64/99/1406016499.db2.gz ROHIJIIAZYTOKQ-UHFFFAOYSA-N 0 0 346.378 3.182 10 10 EGCERN CC[C@@H](C)c1nnc(N(C)OC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694008045 1406042095 /nfs/dbraw/zinc/04/20/95/1406042095.db2.gz NAKOCFMLVORQES-GFCCVEGCSA-N 0 0 335.427 3.043 10 10 EGCERN CON(C)c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)cc1C ZINC001698268781 1406137707 /nfs/dbraw/zinc/13/77/07/1406137707.db2.gz YZKONWYLFFMASL-UHFFFAOYSA-N 0 0 343.475 3.356 10 10 EGCERN CC/C=C\Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC001727871587 1427127394 /nfs/dbraw/zinc/12/73/94/1427127394.db2.gz DRLZXPHXDUTXSB-DANOYGIBSA-N 0 0 342.443 3.438 10 10 EGCERN C[C@@H]1C[C@H]1n1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001742975386 1439533238 /nfs/dbraw/zinc/53/32/38/1439533238.db2.gz BXUDNRWOMWYSNX-RHSMWYFYSA-N 0 0 349.438 3.187 10 10 EGCERN CCCN(CC)c1nnc(CC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001765971893 1441399335 /nfs/dbraw/zinc/39/93/35/1441399335.db2.gz IRNSSVFAAKIORR-UHFFFAOYSA-N 0 0 333.455 3.330 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(Cc2cccnc2)n1CC1CC1 ZINC001767112730 1441404513 /nfs/dbraw/zinc/40/45/13/1441404513.db2.gz BLPIKUAPGNNKEP-UHFFFAOYSA-N 0 0 349.438 3.016 10 10 EGCERN Nc1ccc(CS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000055308177 214303843 /nfs/dbraw/zinc/30/38/43/214303843.db2.gz KUYBOGBSYFHMFF-UHFFFAOYSA-N 0 0 326.215 3.005 10 10 EGCERN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OC)cc1 ZINC000102813021 219231942 /nfs/dbraw/zinc/23/19/42/219231942.db2.gz KMOWDNVGJQHOGD-GZTJUZNOSA-N 0 0 343.423 3.414 10 10 EGCERN COc1cccc(-n2c(C)cc(C(=O)NCC(F)(F)F)c2C)c1 ZINC000029974426 212686785 /nfs/dbraw/zinc/68/67/85/212686785.db2.gz AEDMSXMGUPWJSP-UHFFFAOYSA-N 0 0 326.318 3.395 10 10 EGCERN Oc1ccc(CNc2cccc(I)c2)c(O)c1 ZINC000020479087 212135719 /nfs/dbraw/zinc/13/57/19/212135719.db2.gz PNEBTDZUGISSFI-UHFFFAOYSA-N 0 0 341.148 3.315 10 10 EGCERN Cc1ccc(OCC(=O)Nc2ccc(N)cc2)c(Br)c1 ZINC000020077793 212099602 /nfs/dbraw/zinc/09/96/02/212099602.db2.gz JVEQNPCAKTWHDW-UHFFFAOYSA-N 0 0 335.201 3.357 10 10 EGCERN Nc1ccc(NC(=O)CCOc2ccc(Br)cc2)cc1 ZINC000019255263 212010254 /nfs/dbraw/zinc/01/02/54/212010254.db2.gz WHPHOXNJDPUYHU-UHFFFAOYSA-N 0 0 335.201 3.439 10 10 EGCERN COc1ccc(OC)c([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 ZINC000095956831 218463856 /nfs/dbraw/zinc/46/38/56/218463856.db2.gz PYWRJJILAQUFHH-GOSISDBHSA-N 0 0 340.423 3.192 10 10 EGCERN O=C(/C=C/c1cccc2cccnc12)N1CC(=O)Nc2ccccc21 ZINC000013000443 135699313 /nfs/dbraw/zinc/69/93/13/135699313.db2.gz ZMPSHMDCVALRBJ-ZHACJKMWSA-N 0 0 329.359 3.233 10 10 EGCERN COc1cccc(CNC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)c1O ZINC000528858216 313194544 /nfs/dbraw/zinc/19/45/44/313194544.db2.gz AXCSJMFUHOEEAM-OAHLLOKOSA-N 0 0 349.333 3.117 10 10 EGCERN O[C@@H](CN1CCCc2cc(OC(F)F)ccc21)CC(F)(F)F ZINC000189614027 455223809 /nfs/dbraw/zinc/22/38/09/455223809.db2.gz WVIQTAHACLOEKZ-SNVBAGLBSA-N 0 0 325.277 3.354 10 10 EGCERN CC1CCN(c2cccc(NC(=O)c3ccc4nnn(C)c4c3)c2)CC1 ZINC000184115231 455353964 /nfs/dbraw/zinc/35/39/64/455353964.db2.gz OUDWXEOIPLOOEH-UHFFFAOYSA-N 0 0 349.438 3.457 10 10 EGCERN CCc1ccc2c(O)c3c(c(O)c2c1)C(=O)c1cccc(O)c1C3=O ZINC000015204915 453562602 /nfs/dbraw/zinc/56/26/02/453562602.db2.gz IQQXEUJGABFGFT-UHFFFAOYSA-N 0 0 334.327 3.294 10 10 EGCERN Cc1cc(C(=O)CN2CCOCC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000026464079 453800613 /nfs/dbraw/zinc/80/06/13/453800613.db2.gz SQEABQMGMZIVTH-UHFFFAOYSA-N 0 0 330.403 3.057 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2coc(-c3ccccc3)n2)c1 ZINC000075128298 453864382 /nfs/dbraw/zinc/86/43/82/453864382.db2.gz NSWJXUYYYSTPQZ-UHFFFAOYSA-N 0 0 339.351 3.288 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1 ZINC000071835028 454228252 /nfs/dbraw/zinc/22/82/52/454228252.db2.gz XFCUYSHTBIFYJM-ROUUACIJSA-N 0 0 340.423 3.131 10 10 EGCERN COc1cccc(-n2c(C)cc(C(=O)N3CCC(OC)CC3)c2C)c1 ZINC000046325261 454240821 /nfs/dbraw/zinc/24/08/21/454240821.db2.gz OCPOPIMMNUVCEE-UHFFFAOYSA-N 0 0 342.439 3.354 10 10 EGCERN O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C1CCC1 ZINC000065585940 454597626 /nfs/dbraw/zinc/59/76/26/454597626.db2.gz JASCZLHQGXZAJL-LBPRGKRZSA-N 0 0 342.361 3.328 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC([C@H](C)O)CC1 ZINC000136345164 454736938 /nfs/dbraw/zinc/73/69/38/454736938.db2.gz DMXCVLNOORTRCU-AWEZNQCLSA-N 0 0 332.469 3.389 10 10 EGCERN CCN(C(C)=O)c1nc(CN2CCc3cc(OC)ccc32)cs1 ZINC000113931050 454939623 /nfs/dbraw/zinc/93/96/23/454939623.db2.gz ZAVUHMGCXMTWBS-UHFFFAOYSA-N 0 0 331.441 3.087 10 10 EGCERN CCc1csc([C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000179497562 455052808 /nfs/dbraw/zinc/05/28/08/455052808.db2.gz UYEIFSYSOUGSRQ-GFCCVEGCSA-N 0 0 346.452 3.445 10 10 EGCERN Cc1occc1C(=O)NC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180027287 455118793 /nfs/dbraw/zinc/11/87/93/455118793.db2.gz DUQRIRLUOJPVNZ-UHFFFAOYSA-N 0 0 348.830 3.341 10 10 EGCERN COc1ccc(O)c([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000185324463 455540059 /nfs/dbraw/zinc/54/00/59/455540059.db2.gz WYNRMQVZSBUJLS-KZULUSFZSA-N 0 0 338.411 3.268 10 10 EGCERN CN(Cc1cn(C)nc1C(F)(F)F)Cc1c(O)cccc1Cl ZINC000271422461 455631039 /nfs/dbraw/zinc/63/10/39/455631039.db2.gz ZSKOZKPDCIGVFA-UHFFFAOYSA-N 0 0 333.741 3.430 10 10 EGCERN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000193022184 455736287 /nfs/dbraw/zinc/73/62/87/455736287.db2.gz DCADCNZHTNNAGE-VHSXEESVSA-N 0 0 346.258 3.153 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@H](C)c1ccc(F)cc1O ZINC000186589373 455799717 /nfs/dbraw/zinc/79/97/17/455799717.db2.gz ILNFLGBXJQUEMG-GFCCVEGCSA-N 0 0 344.386 3.240 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000294706637 455823868 /nfs/dbraw/zinc/82/38/68/455823868.db2.gz ONCBFMPDAFRSKU-UHFFFAOYSA-N 0 0 333.684 3.191 10 10 EGCERN COc1ccc(OC)c([C@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 ZINC000253431211 455847917 /nfs/dbraw/zinc/84/79/17/455847917.db2.gz ZNUQYQAEMZEWAZ-QGZVFWFLSA-N 0 0 340.379 3.107 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c(C)n1-c1ccccn1 ZINC000279226981 455861336 /nfs/dbraw/zinc/86/13/36/455861336.db2.gz PSOLHJWAVVVCFM-QGZVFWFLSA-N 0 0 335.411 3.190 10 10 EGCERN Oc1ccccc1CN(Cc1ncc(C2CC2)o1)C[C@H]1CCCO1 ZINC000270478601 455964407 /nfs/dbraw/zinc/96/44/07/455964407.db2.gz DFTLYFYEAXXQSF-MRXNPFEDSA-N 0 0 328.412 3.439 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CC(F)F)c1O ZINC000286510282 456048488 /nfs/dbraw/zinc/04/84/88/456048488.db2.gz QERXKBFAOCJQLO-LBPRGKRZSA-N 0 0 333.762 3.104 10 10 EGCERN CCOc1cccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1O ZINC000188474899 456069640 /nfs/dbraw/zinc/06/96/40/456069640.db2.gz WGRYQKJTTHFDSS-CYBMUJFWSA-N 0 0 330.432 3.083 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)CCSc1n[nH]c(C)n1 ZINC000282347651 456485382 /nfs/dbraw/zinc/48/53/82/456485382.db2.gz AJHNYSLBYIISQR-UHFFFAOYSA-N 0 0 348.472 3.130 10 10 EGCERN CC[C@@H]1CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000291656278 456709230 /nfs/dbraw/zinc/70/92/30/456709230.db2.gz OGHPZJYEWYLAHW-IIAWOOMASA-N 0 0 349.450 3.133 10 10 EGCERN CC(C)(C)c1cnc(SCC(=O)N2CCOC[C@@H]2C2CC2)s1 ZINC000378337270 457389134 /nfs/dbraw/zinc/38/91/34/457389134.db2.gz SLUNITRORIJFBU-GFCCVEGCSA-N 0 0 340.514 3.170 10 10 EGCERN Cc1ccc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c(O)c1O ZINC000376842922 458404514 /nfs/dbraw/zinc/40/45/14/458404514.db2.gz NUGJQNIUBYWMPT-UHFFFAOYSA-N 0 0 344.798 3.384 10 10 EGCERN C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1[O-] ZINC000530218309 458722181 /nfs/dbraw/zinc/72/21/81/458722181.db2.gz VWSNLHJPDSURCU-RNCFNFMXSA-N 0 0 343.240 3.229 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528996785 459820344 /nfs/dbraw/zinc/82/03/44/459820344.db2.gz PWNCGTIBWBTOOF-CSMYWGQOSA-N 0 0 343.398 3.478 10 10 EGCERN C[C@@H](c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1)C1CC1 ZINC000545824423 459858936 /nfs/dbraw/zinc/85/89/36/459858936.db2.gz IFXBXITXWXWFFY-LLVKDONJSA-N 0 0 339.420 3.466 10 10 EGCERN Cc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)c(O)c1O ZINC000727004345 574630723 /nfs/dbraw/zinc/63/07/23/574630723.db2.gz TXQKZKXJOMQLOT-LLVKDONJSA-N 0 0 340.335 3.374 10 10 EGCERN CCOC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000727410804 574665618 /nfs/dbraw/zinc/66/56/18/574665618.db2.gz UADFSKPHPAGCPY-UHFFFAOYSA-N 0 0 342.439 3.474 10 10 EGCERN COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000728978685 574790847 /nfs/dbraw/zinc/79/08/47/574790847.db2.gz SQYJOJQJELTQSU-QWHCGFSZSA-N 0 0 345.395 3.054 10 10 EGCERN CC[C@@](C)(O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000729587011 574871424 /nfs/dbraw/zinc/87/14/24/574871424.db2.gz MILBDURMRNJHQH-HXUWFJFHSA-N 0 0 343.471 3.097 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Cn2ncc3ccccc32)cc1 ZINC000730480085 574990890 /nfs/dbraw/zinc/99/08/90/574990890.db2.gz PUCBJPDQCDIZMS-UHFFFAOYSA-N 0 0 336.439 3.199 10 10 EGCERN O=C(NCc1ccc(OCc2ccccn2)cc1)C1=CC(=O)CS1 ZINC000731870058 575213901 /nfs/dbraw/zinc/21/39/01/575213901.db2.gz ACEMDYNZTXKDSR-UHFFFAOYSA-N 0 0 340.404 3.358 10 10 EGCERN O=C(OCCCc1nc(-c2cccs2)no1)C1=CC(=O)CS1 ZINC000732353056 575261375 /nfs/dbraw/zinc/26/13/75/575261375.db2.gz LCPVZSBYSHTJCA-UHFFFAOYSA-N 0 0 336.394 3.355 10 10 EGCERN CNC(=O)c1cccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000733841355 575399425 /nfs/dbraw/zinc/39/94/25/575399425.db2.gz BPCTXLHSMCZLDB-UHFFFAOYSA-N 0 0 337.467 3.277 10 10 EGCERN COc1ccc(O)c(CNC(=O)NCCSCc2ccccc2)c1 ZINC000734064622 575428816 /nfs/dbraw/zinc/42/88/16/575428816.db2.gz JRGUVVOGFDVOMH-UHFFFAOYSA-N 0 0 346.452 3.133 10 10 EGCERN CCC[C@H](O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000734265114 575461850 /nfs/dbraw/zinc/46/18/50/575461850.db2.gz GXZCOQUJMDWIGL-IBGZPJMESA-N 0 0 343.471 3.097 10 10 EGCERN COc1cc(F)ccc1N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000734475023 575497062 /nfs/dbraw/zinc/49/70/62/575497062.db2.gz GIZKEPULIHRVOQ-UHFFFAOYSA-N 0 0 344.430 3.479 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCCc1ccc2ccccc2n1 ZINC000744886919 576836412 /nfs/dbraw/zinc/83/64/12/576836412.db2.gz LGZKAWSOKLANIU-UHFFFAOYSA-N 0 0 335.407 3.325 10 10 EGCERN CCN(CCCO)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000745392047 576847375 /nfs/dbraw/zinc/84/73/75/576847375.db2.gz SPZMYQJQKCASGC-UHFFFAOYSA-N 0 0 343.471 3.051 10 10 EGCERN COc1ccc(C=C2SC(NCc3ccccc3)=NC2=O)cc1O ZINC000006552892 1291047696 /nfs/dbraw/zinc/04/76/96/1291047696.db2.gz QWDFGSPQYRHEMY-YBEGLDIGSA-N 0 0 340.404 3.161 10 10 EGCERN Nc1ccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000040675700 1291410670 /nfs/dbraw/zinc/41/06/70/1291410670.db2.gz KBQQRCGRGOVNDH-UHFFFAOYSA-N 0 0 345.251 3.097 10 10 EGCERN O=C1C[C@@H](c2ccccc2)[N@H+](Cc2c(O)cccc2Cl)CCN1 ZINC000121700525 1293384729 /nfs/dbraw/zinc/38/47/29/1293384729.db2.gz GCKWDPFUYSRKSW-INIZCTEOSA-N 0 0 330.815 3.109 10 10 EGCERN Cc1cc(C(=O)Nc2cnccc2CO)c(C)n1-c1ccc(F)cc1 ZINC000135754932 1293801673 /nfs/dbraw/zinc/80/16/73/1293801673.db2.gz VITXDWKOFOAVEM-UHFFFAOYSA-N 0 0 339.370 3.373 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCCc2ccccc2O)cc1 ZINC000171646359 1294414488 /nfs/dbraw/zinc/41/44/88/1294414488.db2.gz PKMHTEGVGXZTHP-UHFFFAOYSA-N 0 0 341.455 3.280 10 10 EGCERN CC/C(=C\C(=O)NCc1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000182546191 1295058196 /nfs/dbraw/zinc/05/81/96/1295058196.db2.gz BMJKTPQWOZVWPW-SDNWHVSQSA-N 0 0 327.380 3.216 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)NOCc1ccc(F)cc1 ZINC000183576269 1295131503 /nfs/dbraw/zinc/13/15/03/1295131503.db2.gz IADZEWMPSNAFMA-UHFFFAOYSA-N 0 0 341.386 3.133 10 10 EGCERN CCN1C(=O)/C(=C/c2csc(-c3ccccn3)n2)SC1=S ZINC000207687620 1296097032 /nfs/dbraw/zinc/09/70/32/1296097032.db2.gz IEWBUEIYDDGMDX-XFFZJAGNSA-N 0 0 333.463 3.426 10 10 EGCERN CSc1nc(C(C)C)nc(C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198519 1296268350 /nfs/dbraw/zinc/26/83/50/1296268350.db2.gz JCBJMUBDZDMUPS-UHFFFAOYSA-N 0 0 343.452 3.492 10 10 EGCERN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1Cc2cccc(O)c2C1 ZINC000871198697 1296268833 /nfs/dbraw/zinc/26/88/33/1296268833.db2.gz NEURBQSJAPVNNO-QGZVFWFLSA-N 0 0 339.391 3.106 10 10 EGCERN COc1ccc(SC)c(OC)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202787 1296271835 /nfs/dbraw/zinc/27/18/35/1296271835.db2.gz GDJAYSQFPAIPIC-UHFFFAOYSA-N 0 0 345.420 3.287 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871328763 1296352480 /nfs/dbraw/zinc/35/24/80/1296352480.db2.gz LJDYGIMFODRUHD-MNDMWVCDSA-N 0 0 331.412 3.061 10 10 EGCERN [O-]c1c(Br)cc(Cl)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000708139173 1298235123 /nfs/dbraw/zinc/23/51/23/1298235123.db2.gz FWHSJOARLJDUJV-GFCCVEGCSA-N 0 0 345.668 3.088 10 10 EGCERN CC(=O)N(c1nc(CN[C@@H](C)c2ccccc2O)cs1)C1CC1 ZINC000877757408 1299534514 /nfs/dbraw/zinc/53/45/14/1299534514.db2.gz YKFYJLSTMCWNOP-NSHDSACASA-N 0 0 331.441 3.215 10 10 EGCERN COC(=O)c1c(CNCc2scnc2C)c2cc(F)ccc2n1C ZINC000894239301 1306296375 /nfs/dbraw/zinc/29/63/75/1306296375.db2.gz JTOLVPYIXWBIGR-UHFFFAOYSA-N 0 0 347.415 3.159 10 10 EGCERN COc1ccc2c(c1)CCCN2Cc1c2c(nn1C)CCSC2 ZINC000894429364 1308876827 /nfs/dbraw/zinc/87/68/27/1308876827.db2.gz QAZSLIWPWLPXEN-UHFFFAOYSA-N 0 0 329.469 3.171 10 10 EGCERN COc1c(O)c(CN[C@H]2c3ccccc3CC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000895690694 1309467028 /nfs/dbraw/zinc/46/70/28/1309467028.db2.gz KKBRKQVPLVLFJC-HOCLYGCPSA-N 0 0 346.358 3.424 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(C)(C)C)C1=O ZINC000896056710 1309678278 /nfs/dbraw/zinc/67/82/78/1309678278.db2.gz HSMKHOWWRRQJGZ-INIZCTEOSA-N 0 0 346.471 3.168 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H](c2ccncc2)C2CCCC2)c1 ZINC000896362143 1309823000 /nfs/dbraw/zinc/82/30/00/1309823000.db2.gz QKPNXQDEHVAARD-IBGZPJMESA-N 0 0 340.423 3.386 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1c1cc[nH]n1 ZINC000897594682 1310400820 /nfs/dbraw/zinc/40/08/20/1310400820.db2.gz YCRHAXIYRYBNMS-NSHDSACASA-N 0 0 329.381 3.013 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000897697269 1310437205 /nfs/dbraw/zinc/43/72/05/1310437205.db2.gz XXLRIPCHRFFJDO-RISCZKNCSA-N 0 0 333.409 3.096 10 10 EGCERN CCc1nocc1CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897855561 1310492440 /nfs/dbraw/zinc/49/24/40/1310492440.db2.gz CJKLZPUMLINCFL-UHFFFAOYSA-N 0 0 332.381 3.135 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(Cc3cnn(C)c3)C2)cc1 ZINC000899015540 1310912065 /nfs/dbraw/zinc/91/20/65/1310912065.db2.gz LYYBSGADUAKCIR-UHFFFAOYSA-N 0 0 348.450 3.142 10 10 EGCERN Oc1ccccc1C[N@H+](Cc1[nH]nc2c1COCC2)C1CCCC1 ZINC000929635415 1328652949 /nfs/dbraw/zinc/65/29/49/1328652949.db2.gz JHZSBTJGCJXJBY-UHFFFAOYSA-N 0 0 327.428 3.133 10 10 EGCERN Cc1cc(C(=O)NC[C@H]2CC3(CCC3)CO2)c(C)n1-c1ccccn1 ZINC000899427543 1317032627 /nfs/dbraw/zinc/03/26/27/1317032627.db2.gz MVVLRYQAOXWLGT-MRXNPFEDSA-N 0 0 339.439 3.178 10 10 EGCERN CC1(C)Oc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2O1 ZINC000929949946 1328746984 /nfs/dbraw/zinc/74/69/84/1328746984.db2.gz DWKQPGUXFDAMAC-UHFFFAOYSA-N 0 0 326.352 3.447 10 10 EGCERN C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858452353 1328766410 /nfs/dbraw/zinc/76/64/10/1328766410.db2.gz LANUSQXJSXVEAW-GDBMZVCRSA-N 0 0 337.261 3.077 10 10 EGCERN C[C@@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858447545 1328764669 /nfs/dbraw/zinc/76/46/69/1328764669.db2.gz VVMFWQPVFDRLBW-XIKOKIGWSA-N 0 0 344.367 3.181 10 10 EGCERN C[C@H](NC(=O)c1ccc2c(c1)N[C@@H](C)CC(=O)N2)c1ccccc1O ZINC000913763544 1319118724 /nfs/dbraw/zinc/11/87/24/1319118724.db2.gz KBPBMDTWSXIPCX-RYUDHWBXSA-N 0 0 339.395 3.026 10 10 EGCERN CC(C)c1nsc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000930209461 1328812589 /nfs/dbraw/zinc/81/25/89/1328812589.db2.gz DOSDZIDIEROLJS-CQSZACIVSA-N 0 0 346.500 3.349 10 10 EGCERN CC(C)Oc1cccc(CNC(=O)NCc2c(O)cccc2F)c1 ZINC000914250495 1319278606 /nfs/dbraw/zinc/27/86/06/1319278606.db2.gz SCBKHXKSSHTDKT-UHFFFAOYSA-N 0 0 332.375 3.318 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)NCC3CSC3)cc2)CC1 ZINC000917524085 1319827527 /nfs/dbraw/zinc/82/75/27/1319827527.db2.gz UIPYZDCXADBDNR-UHFFFAOYSA-N 0 0 333.501 3.085 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000858826293 1328868877 /nfs/dbraw/zinc/86/88/77/1328868877.db2.gz GNHVAIDYTJZPAF-HOCLYGCPSA-N 0 0 339.277 3.275 10 10 EGCERN COc1cccc2c1CC[C@@H]2NC(=O)NCc1c(O)cccc1F ZINC000921453301 1322317804 /nfs/dbraw/zinc/31/78/04/1322317804.db2.gz KAKSBZXYANHQLS-HNNXBMFYSA-N 0 0 330.359 3.027 10 10 EGCERN COC[C@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C ZINC000922599069 1322566857 /nfs/dbraw/zinc/56/68/57/1322566857.db2.gz DCNVLEMJHOTCDK-CQSZACIVSA-N 0 0 348.468 3.392 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@H]1c2ccccc2OC[C@@H]1F ZINC000925108817 1323285235 /nfs/dbraw/zinc/28/52/35/1323285235.db2.gz KTFUWDJLZBZEDO-YOEHRIQHSA-N 0 0 330.359 3.005 10 10 EGCERN Cc1nn(C)c(NC(=O)NCc2cc(C)ccc2O)c1C(F)(F)F ZINC000931367898 1329103931 /nfs/dbraw/zinc/10/39/31/1329103931.db2.gz DOXCSWSNAXDYTG-UHFFFAOYSA-N 0 0 342.321 3.083 10 10 EGCERN C[C@H](NC(=O)NCc1nc2c(s1)CCCC2)c1ccccc1O ZINC000926430335 1325550875 /nfs/dbraw/zinc/55/08/75/1325550875.db2.gz UYTWBBWNGNGWSN-NSHDSACASA-N 0 0 331.441 3.288 10 10 EGCERN CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000926956720 1327796496 /nfs/dbraw/zinc/79/64/96/1327796496.db2.gz ZCRWXXNMKZNPHF-ZDUSSCGKSA-N 0 0 333.881 3.157 10 10 EGCERN CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000927131743 1327883915 /nfs/dbraw/zinc/88/39/15/1327883915.db2.gz QPNPDMKAARWPLW-WCQYABFASA-N 0 0 344.242 3.207 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NC[C@@]1(c2ccccc2)CCCO1 ZINC000927675318 1328101143 /nfs/dbraw/zinc/10/11/43/1328101143.db2.gz JBLFOWYLVOPUNF-HXUWFJFHSA-N 0 0 340.423 3.240 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCO[C@H](C)CC2)c1 ZINC000928526626 1328349690 /nfs/dbraw/zinc/34/96/90/1328349690.db2.gz KPERNGYQWUDFAZ-OAHLLOKOSA-N 0 0 340.423 3.158 10 10 EGCERN CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027537 1329456097 /nfs/dbraw/zinc/45/60/97/1329456097.db2.gz WCYMEOSWCZVALY-WMLDXEAASA-N 0 0 342.439 3.398 10 10 EGCERN C[C@@H]1CN(Cc2c(O)cccc2Br)C2(CCC2)CO1 ZINC000862403918 1329483521 /nfs/dbraw/zinc/48/35/21/1329483521.db2.gz XVAKKXVMCDBOAD-LLVKDONJSA-N 0 0 326.234 3.298 10 10 EGCERN COC(=O)CCCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863164562 1329531685 /nfs/dbraw/zinc/53/16/85/1329531685.db2.gz NSKUHKJLSLARSC-UHFFFAOYSA-N 0 0 342.439 3.444 10 10 EGCERN Cc1ccc(C(=O)Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)c(O)c1O ZINC000863542590 1329561844 /nfs/dbraw/zinc/56/18/44/1329561844.db2.gz QPZKNFREWPWHPF-LLVKDONJSA-N 0 0 340.379 3.129 10 10 EGCERN CN(C(=O)c1cccc(O)c1O)[C@H](CCc1ccccc1)C(F)F ZINC000863729887 1329578324 /nfs/dbraw/zinc/57/83/24/1329578324.db2.gz QYEPJPJRBAZBOP-CQSZACIVSA-N 0 0 335.350 3.436 10 10 EGCERN COc1cc(CNc2ncc3c(n2)CCOC3)c(O)c(C(C)(C)C)c1 ZINC000865294663 1329684105 /nfs/dbraw/zinc/68/41/05/1329684105.db2.gz RKIFIBNZEKMERI-UHFFFAOYSA-N 0 0 343.427 3.173 10 10 EGCERN CC(=O)c1cccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000865469251 1329701739 /nfs/dbraw/zinc/70/17/39/1329701739.db2.gz LZVIZZIYUCMOPO-AWEZNQCLSA-N 0 0 325.412 3.294 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C1([C@H]2CCCCO2)CCC1 ZINC000866202937 1330078357 /nfs/dbraw/zinc/07/83/57/1330078357.db2.gz FVHURKSKNXAGMC-GOSISDBHSA-N 0 0 344.455 3.217 10 10 EGCERN CN(Cc1ccccc1O)C(=O)[C@@H]1c2ccccc2C(=O)OC1(C)C ZINC000866596588 1330131489 /nfs/dbraw/zinc/13/14/89/1330131489.db2.gz HRDGUFMGFXFDGN-KRWDZBQOSA-N 0 0 339.391 3.083 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000866622958 1330134120 /nfs/dbraw/zinc/13/41/20/1330134120.db2.gz KNKLVPDHMMPABA-SUMWQHHRSA-N 0 0 333.428 3.321 10 10 EGCERN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(Br)c(F)cc1[O-] ZINC000866638138 1330136529 /nfs/dbraw/zinc/13/65/29/1330136529.db2.gz CVFVAYISGFCCDA-WQHBLYJGSA-N 0 0 332.213 3.248 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCOc3cc(N)ccc3C2)c1O ZINC000866691072 1330141482 /nfs/dbraw/zinc/14/14/82/1330141482.db2.gz FLRDBXAANVRATA-UHFFFAOYSA-N 0 0 346.814 3.225 10 10 EGCERN O=C(OCCC(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866828384 1330150700 /nfs/dbraw/zinc/15/07/00/1330150700.db2.gz KEBDGOHZRGAGAR-ZDUSSCGKSA-N 0 0 347.333 3.462 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CCOc2ccc(F)cc21)c1ccccc1O ZINC000868524993 1330289881 /nfs/dbraw/zinc/28/98/81/1330289881.db2.gz NKAOPGSUKJKZED-XHDPSFHLSA-N 0 0 330.359 3.415 10 10 EGCERN CC[C@@H](COCC(F)(F)F)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868661726 1330308993 /nfs/dbraw/zinc/30/89/93/1330308993.db2.gz DSESOMUMQVLRNA-QWRGUYRKSA-N 0 0 334.338 3.110 10 10 EGCERN COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccccc2O)OC)c1 ZINC000868798337 1330346880 /nfs/dbraw/zinc/34/68/80/1330346880.db2.gz JDKJABQVRWBICT-SCLBCKFNSA-N 0 0 344.411 3.149 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)c3coc(SC)c3)C2)cc1 ZINC000869227898 1330442580 /nfs/dbraw/zinc/44/25/80/1330442580.db2.gz CQJGCYSVSUHGES-CYBMUJFWSA-N 0 0 332.425 3.019 10 10 EGCERN CCOc1ccc(N2CCN([C@@H](C)c3cnc(C)cn3)CC2)cc1 ZINC001324111476 1387543756 /nfs/dbraw/zinc/54/37/56/1387543756.db2.gz CNDQDWUYIDAQEQ-INIZCTEOSA-N 0 0 326.444 3.067 10 10 EGCERN Cc1cc(C(=O)OC[C@H]2COC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC001123011144 1372361179 /nfs/dbraw/zinc/36/11/79/1372361179.db2.gz WDVHCVKNIYFIDF-OAHLLOKOSA-N 0 0 327.380 3.122 10 10 EGCERN C[C@@H](NC(=O)NC[C@@H]1OCc2ccccc21)c1ccc(N(C)C)cc1 ZINC001123529394 1372496074 /nfs/dbraw/zinc/49/60/74/1372496074.db2.gz OPGFBFMKRHTRIZ-KUHUBIRLSA-N 0 0 339.439 3.384 10 10 EGCERN O=C(Cc1ccc(C2CCC2)cc1)NCCc1ccc(O)c(O)c1 ZINC001123769819 1372582549 /nfs/dbraw/zinc/58/25/49/1372582549.db2.gz OQCCFZCLTVXPGG-UHFFFAOYSA-N 0 0 325.408 3.267 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001124031775 1372661240 /nfs/dbraw/zinc/66/12/40/1372661240.db2.gz RRISROHUAZLITR-DOMZBBRYSA-N 0 0 347.436 3.486 10 10 EGCERN Cc1cc(CNC(=O)[C@]2(C)CCOC2)c(C)n1-c1cccc(C)c1 ZINC001132264032 1375254836 /nfs/dbraw/zinc/25/48/36/1375254836.db2.gz JYVDDWDTJBVMAC-HXUWFJFHSA-N 0 0 326.440 3.445 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCC[C@@H]2C)cc1 ZINC001227067492 1375383725 /nfs/dbraw/zinc/38/37/25/1375383725.db2.gz JYMUYEHLRIEEBS-JKSUJKDBSA-N 0 0 333.476 3.209 10 10 EGCERN CC(=O)Nc1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001327168264 1388419035 /nfs/dbraw/zinc/41/90/35/1388419035.db2.gz ZOMXGLFDJMGDGQ-UHFFFAOYSA-N 0 0 330.731 3.087 10 10 EGCERN CC[S@](C)(=O)=NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001133771698 1376201395 /nfs/dbraw/zinc/20/13/95/1376201395.db2.gz MUMBTLRGCLHXMH-DEOSSOPVSA-N 0 0 348.468 3.173 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ncc(Cc3ccccc3)o2)cc1 ZINC001135825263 1377223027 /nfs/dbraw/zinc/22/30/27/1377223027.db2.gz LKNWMANHPDGTIB-UHFFFAOYSA-N 0 0 335.407 3.261 10 10 EGCERN CCc1ncc(Cl)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001135914446 1377260404 /nfs/dbraw/zinc/26/04/04/1377260404.db2.gz FVUYKEFMNVRBJW-UHFFFAOYSA-N 0 0 332.835 3.031 10 10 EGCERN CN(C)c1ccc(CN(C(=O)c2ccc(CO)c(F)c2)C2CC2)cc1 ZINC001136180975 1377361539 /nfs/dbraw/zinc/36/15/39/1377361539.db2.gz WOBWBNJCSHXMOH-UHFFFAOYSA-N 0 0 342.414 3.189 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc3[nH]cc(C=O)c3c2)cc1F ZINC001136453994 1377395025 /nfs/dbraw/zinc/39/50/25/1377395025.db2.gz FWDUHXQLXFKONI-UHFFFAOYSA-N 0 0 339.370 3.116 10 10 EGCERN CO[C@@H](CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C(C)C ZINC001137004029 1377455348 /nfs/dbraw/zinc/45/53/48/1377455348.db2.gz MGABZBOBKAKORC-IBGZPJMESA-N 0 0 342.439 3.307 10 10 EGCERN COc1cccc(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1 ZINC001138241440 1377693344 /nfs/dbraw/zinc/69/33/44/1377693344.db2.gz DSZQKDFBQNDZNP-UHFFFAOYSA-N 0 0 341.407 3.055 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(OC(F)F)nc1 ZINC001141538721 1378341612 /nfs/dbraw/zinc/34/16/12/1378341612.db2.gz UPWYTZDLGBAGME-UHFFFAOYSA-N 0 0 347.365 3.213 10 10 EGCERN Cc1cc(C(=O)NC[C@@H](O)C2CCC2)c(C)n1-c1cccc(C)c1 ZINC001142260488 1378426043 /nfs/dbraw/zinc/42/60/43/1378426043.db2.gz VEVDNCQZVFUNRL-LJQANCHMSA-N 0 0 326.440 3.293 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc2c[nH]nc21 ZINC001142418816 1378441747 /nfs/dbraw/zinc/44/17/47/1378441747.db2.gz LDLHLJNSTOLUOH-CQSZACIVSA-N 0 0 336.439 3.298 10 10 EGCERN CCc1nc2ccccc2c(C(=O)NCc2ccc(O)cc2O)c1C ZINC001142533456 1378453968 /nfs/dbraw/zinc/45/39/68/1378453968.db2.gz KXGORJZEGZUXDB-UHFFFAOYSA-N 0 0 336.391 3.447 10 10 EGCERN Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCc1ccc(O)cc1O ZINC001142533035 1378454047 /nfs/dbraw/zinc/45/40/47/1378454047.db2.gz CUMKQJAGPMTZAF-UHFFFAOYSA-N 0 0 343.276 3.494 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cccc([C@H]2CCOC2)c1 ZINC001142728407 1378482773 /nfs/dbraw/zinc/48/27/73/1378482773.db2.gz SEBKYCGHFNESBQ-SFHVURJKSA-N 0 0 348.402 3.374 10 10 EGCERN CCc1cc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)ccc1O ZINC001144880166 1378778298 /nfs/dbraw/zinc/77/82/98/1378778298.db2.gz YEXXLODOVNSSOE-UHFFFAOYSA-N 0 0 342.439 3.172 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2N)cc1F ZINC001144977167 1378785607 /nfs/dbraw/zinc/78/56/07/1378785607.db2.gz DKZUQXGPIRSPMV-UHFFFAOYSA-N 0 0 333.382 3.323 10 10 EGCERN O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)C1=CC(=O)CS1 ZINC001149011608 1379311528 /nfs/dbraw/zinc/31/15/28/1379311528.db2.gz MYUYHBHNUIXFEA-CQSZACIVSA-N 0 0 347.827 3.323 10 10 EGCERN C[C@@H](NC(=O)c1ccccc1Oc1cnn(C)c1)c1ccccc1O ZINC001151886075 1379810394 /nfs/dbraw/zinc/81/03/94/1379810394.db2.gz UEBBAKWUQVPINI-CYBMUJFWSA-N 0 0 337.379 3.409 10 10 EGCERN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1O ZINC001151892056 1379811779 /nfs/dbraw/zinc/81/17/79/1379811779.db2.gz GQRZCPGMDKDGGJ-QWRGUYRKSA-N 0 0 332.331 3.420 10 10 EGCERN Cc1ccc(-c2nc(C(=O)NCc3cc(O)ccc3O)cs2)o1 ZINC001153879474 1380148305 /nfs/dbraw/zinc/14/83/05/1380148305.db2.gz PMBYAMUBISVBCQ-UHFFFAOYSA-N 0 0 330.365 3.053 10 10 EGCERN CC[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(OC)cc1 ZINC001153885888 1380149471 /nfs/dbraw/zinc/14/94/71/1380149471.db2.gz RHRUMWPSNWQBBW-CYBMUJFWSA-N 0 0 329.396 3.307 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328039989 1388651574 /nfs/dbraw/zinc/65/15/74/1388651574.db2.gz QWFFGZQSGKCXIO-OIISXLGYSA-N 0 0 347.409 3.296 10 10 EGCERN CSCCCN(C(=O)/C=C/c1cncc(F)c1)c1cccnc1 ZINC001287236312 1381151783 /nfs/dbraw/zinc/15/17/83/1381151783.db2.gz RYMXMBZZTRBZJF-AATRIKPKSA-N 0 0 331.416 3.415 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1cncc(C(F)(F)F)c1 ZINC001159041401 1381536107 /nfs/dbraw/zinc/53/61/07/1381536107.db2.gz LIULEHBBKFUZBC-UHFFFAOYSA-N 0 0 330.693 3.389 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)C(F)F)CCCC1 ZINC001288270550 1381758639 /nfs/dbraw/zinc/75/86/39/1381758639.db2.gz AILHTWYLDBABDH-LLVKDONJSA-N 0 0 336.382 3.299 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2oc3ccccc3c2CO)cc1F ZINC001292282995 1382179593 /nfs/dbraw/zinc/17/95/93/1382179593.db2.gz QRZWQZKRGBDKMF-UHFFFAOYSA-N 0 0 342.370 3.060 10 10 EGCERN CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001293683167 1382334972 /nfs/dbraw/zinc/33/49/72/1382334972.db2.gz ZFHWXLGNLXXCHZ-IRXDYDNUSA-N 0 0 335.444 3.083 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2ncccc21 ZINC001162607517 1382806939 /nfs/dbraw/zinc/80/69/39/1382806939.db2.gz UCFIIEMZEZRLTJ-UHFFFAOYSA-N 0 0 329.359 3.419 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC(=O)c1ccc(C)cc1 ZINC001297561088 1383185120 /nfs/dbraw/zinc/18/51/20/1383185120.db2.gz HCBLBXGALHFUAS-UHFFFAOYSA-N 0 0 346.423 3.466 10 10 EGCERN COC(=O)[C@@H](C)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001299306242 1383505224 /nfs/dbraw/zinc/50/52/24/1383505224.db2.gz KGJILGXTAJMLEZ-UPZNUWHASA-N 0 0 341.363 3.026 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnc2nccn2c1 ZINC001167436439 1383633150 /nfs/dbraw/zinc/63/31/50/1383633150.db2.gz NHZOPFWWWKLEFX-UHFFFAOYSA-N 0 0 337.408 3.451 10 10 EGCERN COC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001302895313 1383772112 /nfs/dbraw/zinc/77/21/12/1383772112.db2.gz ZFAOIZNTPOOLDR-CYBMUJFWSA-N 0 0 328.412 3.084 10 10 EGCERN O=C(Cc1cccc(Cl)c1Cl)NCc1cccc(O)c1O ZINC001303194668 1383787420 /nfs/dbraw/zinc/78/74/20/1383787420.db2.gz IGTDEQLSRNLHDK-UHFFFAOYSA-N 0 0 326.179 3.264 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccc(F)c(C(F)(F)F)c1 ZINC001304049690 1383825109 /nfs/dbraw/zinc/82/51/09/1383825109.db2.gz DHKHLUFKALVDGP-UHFFFAOYSA-N 0 0 329.249 3.186 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1cccc2nc[nH]c(=O)c21 ZINC001304090143 1383828663 /nfs/dbraw/zinc/82/86/63/1383828663.db2.gz AQSLWZROOJDGDT-UHFFFAOYSA-N 0 0 345.358 3.124 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1COc2ccccc2O1 ZINC001304089834 1383828734 /nfs/dbraw/zinc/82/87/34/1383828734.db2.gz NRYKXPDTDGJGFT-IBGZPJMESA-N 0 0 335.359 3.002 10 10 EGCERN Cc1cc2nc(Cl)cc(N(C)Cc3ccc(N(C)C)cc3)n2n1 ZINC001306916634 1383919922 /nfs/dbraw/zinc/91/99/22/1383919922.db2.gz LQFPUDXLYUCBAM-UHFFFAOYSA-N 0 0 329.835 3.394 10 10 EGCERN Cn1c(-c2ccccc2)cnc1SCc1ccc(S(C)(=O)=O)o1 ZINC001307272042 1383965693 /nfs/dbraw/zinc/96/56/93/1383965693.db2.gz FRCMEHWZBRAENF-UHFFFAOYSA-N 0 0 348.449 3.376 10 10 EGCERN COC(=O)c1cnc(SCc2nccn2-c2ccccc2)s1 ZINC001307348377 1383975074 /nfs/dbraw/zinc/97/50/74/1383975074.db2.gz QARASVWYJHVOPG-UHFFFAOYSA-N 0 0 331.422 3.408 10 10 EGCERN COc1cc2c(c(OC)c1)N(CC(F)(F)Br)CCC2 ZINC001307842615 1384041682 /nfs/dbraw/zinc/04/16/82/1384041682.db2.gz QCXOBSAVNIOASG-UHFFFAOYSA-N 0 0 336.176 3.444 10 10 EGCERN COc1ccc(N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC001307904081 1384054440 /nfs/dbraw/zinc/05/44/40/1384054440.db2.gz DBMDWXWQMLRAEZ-UHFFFAOYSA-N 0 0 340.339 3.290 10 10 EGCERN C[C@@H](NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC001171723534 1384614156 /nfs/dbraw/zinc/61/41/56/1384614156.db2.gz SYIQOPMZBWVUFZ-MEBBXXQBSA-N 0 0 339.313 3.322 10 10 EGCERN CCOc1ccc(N(C)CCOCCNC(=O)OC(C)(C)C)cc1 ZINC001175947137 1385443514 /nfs/dbraw/zinc/44/35/14/1385443514.db2.gz QTWHOSLAALJKRW-UHFFFAOYSA-N 0 0 338.448 3.063 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)Cc3ccc(C)s3)CC2)cc1 ZINC001319380778 1386093650 /nfs/dbraw/zinc/09/36/50/1386093650.db2.gz LBQRKHLYYFWMHE-UHFFFAOYSA-N 0 0 344.480 3.347 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1cc(F)cc(Br)c1 ZINC001178409546 1386209714 /nfs/dbraw/zinc/20/97/14/1386209714.db2.gz GJQMVTLKWRLZGC-UHFFFAOYSA-N 0 0 342.139 3.363 10 10 EGCERN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1O ZINC001178912683 1386346880 /nfs/dbraw/zinc/34/68/80/1386346880.db2.gz WNKATLVFJZEVGW-LLVKDONJSA-N 0 0 347.798 3.277 10 10 EGCERN O=C(NCc1ccc(-c2ccccc2)o1)c1c(F)ccc(O)c1O ZINC001182425074 1387164525 /nfs/dbraw/zinc/16/45/25/1387164525.db2.gz LACBFSZTWMGDQL-UHFFFAOYSA-N 0 0 327.311 3.427 10 10 EGCERN Cc1ccccc1CO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001330214256 1389344487 /nfs/dbraw/zinc/34/44/87/1389344487.db2.gz NCJSTTNTVNLNCT-MRXNPFEDSA-N 0 0 326.440 3.283 10 10 EGCERN CN(C)c1ccc(/C=C/C[NH2+]CC[C@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC001334057769 1390469178 /nfs/dbraw/zinc/46/91/78/1390469178.db2.gz WNMDKFUALYMGJX-RDFMZFSFSA-N 0 0 344.377 3.399 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001346211115 1390915665 /nfs/dbraw/zinc/91/56/65/1390915665.db2.gz RVZDELZRRIRGND-MOPGFXCFSA-N 0 0 345.487 3.304 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@H]3Cc4cccnc4C3)cc2)CC1 ZINC001346471031 1390943339 /nfs/dbraw/zinc/94/33/39/1390943339.db2.gz HTWHZVTYUYBQAA-IBGZPJMESA-N 0 0 349.478 3.349 10 10 EGCERN C[C@@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001348405999 1391214799 /nfs/dbraw/zinc/21/47/99/1391214799.db2.gz VQZATDMOJATHAB-CQSZACIVSA-N 0 0 335.398 3.392 10 10 EGCERN COCC[C@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC001349869228 1391378368 /nfs/dbraw/zinc/37/83/68/1391378368.db2.gz IMFUNDIBUFUHSB-FYCOFBDGSA-N 0 0 338.407 3.357 10 10 EGCERN C/C(=C\C(=O)N(C)c1cccc(OC(F)(F)F)c1)c1cnccn1 ZINC001352646335 1391827370 /nfs/dbraw/zinc/82/73/70/1391827370.db2.gz WEPIGEUKEFWBKE-DHZHZOJOSA-N 0 0 337.301 3.442 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1cncs1 ZINC001353909794 1392107467 /nfs/dbraw/zinc/10/74/67/1392107467.db2.gz BOSIQDPILAOEAH-UHFFFAOYSA-N 0 0 329.469 3.335 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001353919752 1392108312 /nfs/dbraw/zinc/10/83/12/1392108312.db2.gz FVYKBMWATJWZNF-VQTJNVASSA-N 0 0 342.483 3.308 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@@H](C)O1 ZINC001354577969 1392153935 /nfs/dbraw/zinc/15/39/35/1392153935.db2.gz TZAWPSKWINVSBK-PSTGCABASA-N 0 0 349.386 3.214 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1Cc1nccs1 ZINC001503488822 1396256667 /nfs/dbraw/zinc/25/66/67/1396256667.db2.gz XALBEXQIXKQZBZ-UHFFFAOYSA-N 0 0 341.440 3.002 10 10 EGCERN COCC1(CCn2c(C)nnc2N(C)Cc2ccccc2O)CCC1 ZINC001697797266 1406132328 /nfs/dbraw/zinc/13/23/28/1406132328.db2.gz GVFGZIJEBLJROR-UHFFFAOYSA-N 0 0 344.459 3.135 10 10 EGCERN C=CCN(C)c1nnc(C2CCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001705841583 1417138366 /nfs/dbraw/zinc/13/83/66/1417138366.db2.gz HGQIHJJZBRJGGN-UHFFFAOYSA-N 0 0 343.450 3.421 10 10 EGCERN Cc1nnc(N(C)CC2CC(F)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001726359375 1427048990 /nfs/dbraw/zinc/04/89/90/1427048990.db2.gz HDPLLWLEPMTQHB-UHFFFAOYSA-N 0 0 349.429 3.024 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CCC2)n1[C@@H]1C[C@H]1CF ZINC001729420776 1427166154 /nfs/dbraw/zinc/16/61/54/1427166154.db2.gz VFKQMICZIXZNCV-LSDHHAIUSA-N 0 0 330.407 3.418 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC=CCO1 ZINC001741334583 1439503461 /nfs/dbraw/zinc/50/34/61/1439503461.db2.gz AFECIOCEDTYEOL-INIZCTEOSA-N 0 0 342.443 3.089 10 10 EGCERN Cc1nnc(N2CCCCCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001751922147 1440127269 /nfs/dbraw/zinc/12/72/69/1440127269.db2.gz GKYFJTUGHVIGKM-UHFFFAOYSA-N 0 0 339.487 3.398 10 10 EGCERN C[C@H]1C[C@H]1n1c(-c2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001762767805 1441378174 /nfs/dbraw/zinc/37/81/74/1441378174.db2.gz JITNURWPIPSXBC-XJKSGUPXSA-N 0 0 335.411 3.263 10 10 EGCERN CCc1nnc(N(CC)CC)n1Cc1ccc2c(c1)CCCN2C ZINC001764747737 1441391852 /nfs/dbraw/zinc/39/18/52/1441391852.db2.gz SLFBFEJAHJELDX-UHFFFAOYSA-N 0 0 327.476 3.117 10 10 EGCERN O=C1N=C(NC2CCCC2)SC1=Cc1cnn(-c2ccccc2)c1 ZINC000097998075 219067154 /nfs/dbraw/zinc/06/71/54/219067154.db2.gz HQLXAISYYUNQJQ-MHWRWJLKSA-N 0 0 338.436 3.375 10 10 EGCERN O=c1c2sccc2[n-]c(=S)n1Cc1ccc(N2CCCC2)cc1 ZINC000100090792 219090624 /nfs/dbraw/zinc/09/06/24/219090624.db2.gz OMIPECHEACSZTQ-UHFFFAOYSA-N 0 0 343.477 3.395 10 10 EGCERN CCc1nnsc1C(=O)N(Cc1ccc(N(C)C)cc1)CC1CC1 ZINC000069702331 215542199 /nfs/dbraw/zinc/54/21/99/215542199.db2.gz RBFRDLRGQULVFA-UHFFFAOYSA-N 0 0 344.484 3.219 10 10 EGCERN COc1cc(/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)ccc1O ZINC000033871680 212967116 /nfs/dbraw/zinc/96/71/16/212967116.db2.gz MLYIUXBFWRIVTK-BTAWCLGRSA-N 0 0 332.425 3.103 10 10 EGCERN O=C(/C=C\c1ccncc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000221955924 241486483 /nfs/dbraw/zinc/48/64/83/241486483.db2.gz UKKFJUORNIFKEG-ZEVQVBBLSA-N 0 0 338.407 3.008 10 10 EGCERN Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180434186 455169176 /nfs/dbraw/zinc/16/91/76/455169176.db2.gz RSMBGRDXLQDGFG-GJZGRUSLSA-N 0 0 345.892 3.142 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)NOCc1ccc(F)cc1 ZINC000183108521 455230608 /nfs/dbraw/zinc/23/06/08/455230608.db2.gz WNVHKBLNLYPVLG-UHFFFAOYSA-N 0 0 343.402 3.357 10 10 EGCERN CCc1ccc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1 ZINC000000214076 452537815 /nfs/dbraw/zinc/53/78/15/452537815.db2.gz TYTBNZNVJANQHN-KRLNTZMLSA-N 0 0 330.438 3.189 10 10 EGCERN Cc1sc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000032453400 453873974 /nfs/dbraw/zinc/87/39/74/453873974.db2.gz OWHSRJBIEZKMMV-UHFFFAOYSA-N 0 0 333.413 3.303 10 10 EGCERN COc1ccc(O)c(CNc2nccc(OCc3ccccc3)n2)c1 ZINC000089599554 454165672 /nfs/dbraw/zinc/16/56/72/454165672.db2.gz NKOBMYPSIKWDBE-UHFFFAOYSA-N 0 0 337.379 3.382 10 10 EGCERN CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc2nccnc2c1 ZINC000060101642 454269923 /nfs/dbraw/zinc/26/99/23/454269923.db2.gz PRZIEXZOCHOIJC-SFHVURJKSA-N 0 0 332.363 3.033 10 10 EGCERN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C\c3cccnc3)NC(=O)CCN21 ZINC000104089410 454574069 /nfs/dbraw/zinc/57/40/69/454574069.db2.gz SPXSHOYQYPZLDR-IZUALYBUSA-N 0 0 333.435 3.417 10 10 EGCERN Cc1nc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)cs1 ZINC000065519383 454583145 /nfs/dbraw/zinc/58/31/45/454583145.db2.gz ZOKILEOXROLBSD-ZDUSSCGKSA-N 0 0 348.491 3.193 10 10 EGCERN CN(C)c1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000092811774 454637894 /nfs/dbraw/zinc/63/78/94/454637894.db2.gz CZIWDLFMRYENJH-SFHVURJKSA-N 0 0 339.487 3.408 10 10 EGCERN CN1CCc2cc(CNC(C)(C)c3cn(-c4ccccc4)nn3)ccc21 ZINC000124636660 454754969 /nfs/dbraw/zinc/75/49/69/454754969.db2.gz ZBWJRCJDPXUZCM-UHFFFAOYSA-N 0 0 347.466 3.285 10 10 EGCERN Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c(O)c1O ZINC000177676574 454891198 /nfs/dbraw/zinc/89/11/98/454891198.db2.gz JQFHVPDWTMBQJC-QGZVFWFLSA-N 0 0 334.375 3.321 10 10 EGCERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000167811419 454924142 /nfs/dbraw/zinc/92/41/42/454924142.db2.gz CKEFKEFPZPJMEZ-DLBZAZTESA-N 0 0 327.476 3.482 10 10 EGCERN Cc1cc(C(=O)N[C@H]2CCc3n[nH]cc3C2)c(C)n1-c1ccccc1 ZINC000114153907 454945821 /nfs/dbraw/zinc/94/58/21/454945821.db2.gz QSQDACOFPBPCDU-INIZCTEOSA-N 0 0 334.423 3.105 10 10 EGCERN CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000115343382 455011958 /nfs/dbraw/zinc/01/19/58/455011958.db2.gz CYACZQWXDCHIHC-UHFFFAOYSA-N 0 0 344.480 3.179 10 10 EGCERN Cc1csc(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)n1 ZINC000179479209 455050936 /nfs/dbraw/zinc/05/09/36/455050936.db2.gz UKCKLEVVIJAFJA-UHFFFAOYSA-N 0 0 332.425 3.191 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3cccs3)C2)cc1 ZINC000152117568 455075083 /nfs/dbraw/zinc/07/50/83/455075083.db2.gz MZABJHFTIZIRKK-INIZCTEOSA-N 0 0 345.468 3.097 10 10 EGCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H]3c3ccsc3)cc2N1 ZINC000129883229 455131588 /nfs/dbraw/zinc/13/15/88/455131588.db2.gz XONWSVXQDQTSGR-LBPRGKRZSA-N 0 0 345.380 3.329 10 10 EGCERN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000172183458 455132397 /nfs/dbraw/zinc/13/23/97/455132397.db2.gz QAOWLWCWWXJTCW-CQSZACIVSA-N 0 0 349.450 3.040 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(Cl)cn1 ZINC000180564144 455198408 /nfs/dbraw/zinc/19/84/08/455198408.db2.gz DTGZPRDOVMUIAL-UHFFFAOYSA-N 0 0 344.846 3.335 10 10 EGCERN CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000190973980 455418051 /nfs/dbraw/zinc/41/80/51/455418051.db2.gz IGDVWTYLCQOJJO-JTQLQIEISA-N 0 0 338.814 3.004 10 10 EGCERN COc1cc(Cl)cc(CN2CCN(c3cccc(O)c3)CC2)c1O ZINC000184675775 455426288 /nfs/dbraw/zinc/42/62/88/455426288.db2.gz VEVXMVFMEJDTHC-UHFFFAOYSA-N 0 0 348.830 3.082 10 10 EGCERN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c(O)c1O ZINC000182312264 455486328 /nfs/dbraw/zinc/48/63/28/455486328.db2.gz GSFONTUBVZKJHH-BBRMVZONSA-N 0 0 327.380 3.008 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2c2nc[nH]n2)c1O ZINC000182714463 455573675 /nfs/dbraw/zinc/57/36/75/455573675.db2.gz NPUODFCKEHXRMP-CQSZACIVSA-N 0 0 334.807 3.094 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000277666050 455627903 /nfs/dbraw/zinc/62/79/03/455627903.db2.gz MBMSJDHLKFYDJN-CRAIPNDOSA-N 0 0 333.476 3.098 10 10 EGCERN CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2)ncn1 ZINC000248523071 455717675 /nfs/dbraw/zinc/71/76/75/455717675.db2.gz SIEUWMRVULZARH-CZUORRHYSA-N 0 0 344.434 3.203 10 10 EGCERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)cc(C)c2O)C1 ZINC000248800841 455731458 /nfs/dbraw/zinc/73/14/58/455731458.db2.gz ABCWEJTWYVZERN-KBPBESRZSA-N 0 0 337.807 3.007 10 10 EGCERN COc1c([O-])c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000293520738 455790469 /nfs/dbraw/zinc/79/04/69/455790469.db2.gz AZKPAGPTKYSDAF-GJZGRUSLSA-N 0 0 328.368 3.202 10 10 EGCERN CC(C)(C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1)C(N)=O ZINC000294762744 455826473 /nfs/dbraw/zinc/82/64/73/455826473.db2.gz JGTDYDCMNFAGLK-LLVKDONJSA-N 0 0 342.842 3.298 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCC(=O)OCC ZINC000270533640 455977061 /nfs/dbraw/zinc/97/70/61/455977061.db2.gz PJZXPBIWPHFXIO-CQSZACIVSA-N 0 0 336.432 3.046 10 10 EGCERN COc1cc(C)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000280721462 456038336 /nfs/dbraw/zinc/03/83/36/456038336.db2.gz CZLYGXNAWDDEFX-CYBMUJFWSA-N 0 0 344.411 3.476 10 10 EGCERN CCn1cc(-c2nn(C)cc2C(=O)N2CCc3cc(C)c(C)cc32)cn1 ZINC000286865336 456056349 /nfs/dbraw/zinc/05/63/49/456056349.db2.gz HJPMUPFBWBIETR-UHFFFAOYSA-N 0 0 349.438 3.123 10 10 EGCERN Cc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c(C)n1-c1ccccn1 ZINC000188754116 456128518 /nfs/dbraw/zinc/12/85/18/456128518.db2.gz HXDOEMGLHQBNAJ-UHFFFAOYSA-N 0 0 346.434 3.022 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3ccoc3C3CC3)CC2)cc1 ZINC000281141820 456145053 /nfs/dbraw/zinc/14/50/53/456145053.db2.gz ZSQRDJBFIUZXPP-UHFFFAOYSA-N 0 0 326.396 3.128 10 10 EGCERN C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000281162144 456150988 /nfs/dbraw/zinc/15/09/88/456150988.db2.gz WWOQZUUMFLUDGJ-NWDGAFQWSA-N 0 0 344.415 3.018 10 10 EGCERN COc1ccc(N2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000302466431 456346848 /nfs/dbraw/zinc/34/68/48/456346848.db2.gz BOFDSIYPJUGOFL-UHFFFAOYSA-N 0 0 327.384 3.238 10 10 EGCERN CCC1(CC)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000302510071 456351922 /nfs/dbraw/zinc/35/19/22/456351922.db2.gz XCKBAINPTBMPDI-UHFFFAOYSA-N 0 0 333.388 3.332 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N2CC(C)(CCOC)C2)cc1 ZINC000291337853 456611313 /nfs/dbraw/zinc/61/13/13/456611313.db2.gz RUFACRXPIMAPBL-UHFFFAOYSA-N 0 0 333.476 3.101 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000364187933 457518003 /nfs/dbraw/zinc/51/80/03/457518003.db2.gz CJTWIPZOBCYGNK-OAHLLOKOSA-N 0 0 333.363 3.153 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC2(C1)CCCOC2 ZINC000367938565 458001199 /nfs/dbraw/zinc/00/11/99/458001199.db2.gz MQJXLLGJZQEIOQ-UHFFFAOYSA-N 0 0 330.453 3.408 10 10 EGCERN Cc1cc(C(=O)N2CC([C@@H]3CCOC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000373416016 458486422 /nfs/dbraw/zinc/48/64/22/458486422.db2.gz FQBLNYRJPDVTDS-OAHLLOKOSA-N 0 0 342.414 3.342 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@H]3C3CC3)ccc21 ZINC000431133438 458533768 /nfs/dbraw/zinc/53/37/68/458533768.db2.gz BPYOGPQGAQCQKI-ZWKOTPCHSA-N 0 0 326.440 3.433 10 10 EGCERN CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215569 458720247 /nfs/dbraw/zinc/72/02/47/458720247.db2.gz HNOQKZMFUFUJQX-UKRRQHHQSA-N 0 0 339.277 3.480 10 10 EGCERN COc1ccc(O)c([C@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000527939327 459777440 /nfs/dbraw/zinc/77/74/40/459777440.db2.gz NVQYJTBKXIUFHA-HZMBPMFUSA-N 0 0 329.322 3.052 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528822597 459814720 /nfs/dbraw/zinc/81/47/20/459814720.db2.gz CVMMEFXZTDAMQO-SWLSCSKDSA-N 0 0 326.234 3.304 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000528865747 459815444 /nfs/dbraw/zinc/81/54/44/459815444.db2.gz UXQNFVMYJDPLSL-SJORKVTESA-N 0 0 329.371 3.350 10 10 EGCERN COCCC1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000644765270 462066015 /nfs/dbraw/zinc/06/60/15/462066015.db2.gz WYWIHJHELKPYLK-UHFFFAOYSA-N 0 0 344.455 3.013 10 10 EGCERN CSc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)ccn1 ZINC000679883038 549785336 /nfs/dbraw/zinc/78/53/36/549785336.db2.gz JBCCJCDQXWWWPQ-UHFFFAOYSA-N 0 0 344.440 3.300 10 10 EGCERN COC(=O)c1cnc(/C=C\c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000727267503 574657129 /nfs/dbraw/zinc/65/71/29/574657129.db2.gz WFVDZMOLSRXPKU-HYXAFXHYSA-N 0 0 348.399 3.076 10 10 EGCERN CCOC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000727410966 574665634 /nfs/dbraw/zinc/66/56/34/574665634.db2.gz XVTPQVKAFHFFFN-UHFFFAOYSA-N 0 0 342.439 3.474 10 10 EGCERN Cc1cc(CCNC(=O)[C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000727726024 574687425 /nfs/dbraw/zinc/68/74/25/574687425.db2.gz MZBORLCHCNWEDE-GOSISDBHSA-N 0 0 326.440 3.179 10 10 EGCERN CC1CCN(c2ccc(CNC(=S)NC[C@H]3CCCO3)cc2)CC1 ZINC000730952994 575037215 /nfs/dbraw/zinc/03/72/15/575037215.db2.gz INSXNHYEPCCNHC-GOSISDBHSA-N 0 0 347.528 3.066 10 10 EGCERN Cc1cc(C(=O)CN(C)Cc2cc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000733997571 575420589 /nfs/dbraw/zinc/42/05/89/575420589.db2.gz RFPBQFZUYPPFLE-UHFFFAOYSA-N 0 0 336.439 3.440 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3nc(C)cn3c2)c1 ZINC000738920605 576369302 /nfs/dbraw/zinc/36/93/02/576369302.db2.gz SPHWJDXZFBUKGU-LBPRGKRZSA-N 0 0 340.383 3.240 10 10 EGCERN Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)c(C)n1-c1ccc(F)cc1 ZINC000742234911 576760168 /nfs/dbraw/zinc/76/01/68/576760168.db2.gz KDCSXUDOFJTBSD-KDOFPFPSSA-N 0 0 330.403 3.124 10 10 EGCERN O=C(NCc1ccccc1O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000743327405 576805830 /nfs/dbraw/zinc/80/58/30/576805830.db2.gz MUGPYVXFGDCWDL-UHFFFAOYSA-N 0 0 335.363 3.250 10 10 EGCERN Cc1cc(C[C@@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 ZINC000162020999 1294304598 /nfs/dbraw/zinc/30/45/98/1294304598.db2.gz ZTQZEAQEBDTPTP-CYBMUJFWSA-N 0 0 336.439 3.487 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)/C=C/c2cncc(O)c2)cc1F ZINC000179488799 1294798355 /nfs/dbraw/zinc/79/83/55/1294798355.db2.gz PVROAAIKGOZNCK-SOFGYWHQSA-N 0 0 343.402 3.102 10 10 EGCERN COc1ccc2c(c1)C=C(S(=O)(=O)Nc1ccc(O)c(C)c1)CC2 ZINC000184511952 1295199518 /nfs/dbraw/zinc/19/95/18/1295199518.db2.gz AOSSELCBALXVLI-UHFFFAOYSA-N 0 0 345.420 3.438 10 10 EGCERN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203099 1296271684 /nfs/dbraw/zinc/27/16/84/1296271684.db2.gz SIPKQKWWGKEURX-IBGZPJMESA-N 0 0 348.443 3.318 10 10 EGCERN Cc1cc(C(=O)Nc2cnccc2CO)c(C)n1-c1ccc(C#N)cc1 ZINC000305799057 1297052766 /nfs/dbraw/zinc/05/27/66/1297052766.db2.gz FRIFAPHRIJTOHE-UHFFFAOYSA-N 0 0 346.390 3.105 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000715738573 1298285939 /nfs/dbraw/zinc/28/59/39/1298285939.db2.gz VPMHCDVPELDHIQ-CQSZACIVSA-N 0 0 330.197 3.049 10 10 EGCERN CC(C)(C)[NH+]1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715760553 1298286382 /nfs/dbraw/zinc/28/63/82/1298286382.db2.gz ORDVAPVSWXIQBO-UHFFFAOYSA-N 0 0 345.256 3.210 10 10 EGCERN COC(=O)c1cc(OCc2ncc(Cl)s2)ccc1N(C)C ZINC000865395428 1329691201 /nfs/dbraw/zinc/69/12/01/1329691201.db2.gz QGSQYBGAJHOLLB-UHFFFAOYSA-N 0 0 326.805 3.228 10 10 EGCERN CC(=O)N1CCc2c1cccc2NC(=O)N[C@@H](C)c1ccccc1O ZINC000879231840 1300439789 /nfs/dbraw/zinc/43/97/89/1300439789.db2.gz XROUVABSEWKMFK-LBPRGKRZSA-N 0 0 339.395 3.184 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000890760933 1304872750 /nfs/dbraw/zinc/87/27/50/1304872750.db2.gz FGAXHHYEBUBAJN-HZPDHXFCSA-N 0 0 345.826 3.482 10 10 EGCERN COc1cc(C)cc(CN[C@@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000894330481 1306346651 /nfs/dbraw/zinc/34/66/51/1306346651.db2.gz OWKZGVKWIWICHE-AWEZNQCLSA-N 0 0 338.411 3.141 10 10 EGCERN COc1cc(C)cc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1O ZINC000895190520 1309231167 /nfs/dbraw/zinc/23/11/67/1309231167.db2.gz SHBQOHOOXOGATQ-JSGCOSHPSA-N 0 0 333.350 3.299 10 10 EGCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000895536113 1309388554 /nfs/dbraw/zinc/38/85/54/1309388554.db2.gz HGOUVCCFRRVJNZ-CQSZACIVSA-N 0 0 343.826 3.250 10 10 EGCERN CC(C)c1nccn1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895953994 1309609975 /nfs/dbraw/zinc/60/99/75/1309609975.db2.gz UHTCVBXDNARXIF-UHFFFAOYSA-N 0 0 345.424 3.062 10 10 EGCERN COc1cccc(CNC(=O)[C@H](c2ccncc2)C2CCCC2)c1O ZINC000896115584 1309706714 /nfs/dbraw/zinc/70/67/14/1309706714.db2.gz GCIZYRVVJLYUIE-SFHVURJKSA-N 0 0 340.423 3.386 10 10 EGCERN CC1(C)CO[C@H](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000896270071 1309777322 /nfs/dbraw/zinc/77/73/22/1309777322.db2.gz NQYKRNZFXDUGBL-DLBZAZTESA-N 0 0 347.455 3.105 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC2(CCCCC2)C1 ZINC000896684363 1309973724 /nfs/dbraw/zinc/97/37/24/1309973724.db2.gz AQTQILFDEZFDEV-UHFFFAOYSA-N 0 0 347.436 3.488 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC2(CCCC2)C1 ZINC000897017815 1310139080 /nfs/dbraw/zinc/13/90/80/1310139080.db2.gz VFOQYWNDXAYXBH-UHFFFAOYSA-N 0 0 333.409 3.098 10 10 EGCERN COCCn1c(C)c(C)c2cc(-c3nc(-c4cccnn4)no3)ccc21 ZINC000897023739 1310141623 /nfs/dbraw/zinc/14/16/23/1310141623.db2.gz ZPEHWNKIKPLRHB-UHFFFAOYSA-N 0 0 349.394 3.412 10 10 EGCERN CC(C)c1nn(C)cc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897631574 1310416825 /nfs/dbraw/zinc/41/68/25/1310416825.db2.gz ALWHPNAFVVFUPZ-UHFFFAOYSA-N 0 0 331.397 3.422 10 10 EGCERN O=C(NC[C@H]1CCCC1(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000897900954 1310511812 /nfs/dbraw/zinc/51/18/12/1310511812.db2.gz MAAYDAUBRHYVKX-SECBINFHSA-N 0 0 327.352 3.478 10 10 EGCERN CC(C)[C@@H]1C[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897900960 1310511931 /nfs/dbraw/zinc/51/19/31/1310511931.db2.gz MDWXANYKSAATAQ-ABAIWWIYSA-N 0 0 349.452 3.494 10 10 EGCERN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000898437458 1310733875 /nfs/dbraw/zinc/73/38/75/1310733875.db2.gz WGUHDJNNRGQPSV-RHSMWYFYSA-N 0 0 347.436 3.390 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(n1)CCCC2 ZINC000857472619 1328539140 /nfs/dbraw/zinc/53/91/40/1328539140.db2.gz MQDANKKQHHHKGT-UHFFFAOYSA-N 0 0 336.435 3.475 10 10 EGCERN CN(C)c1ccc(CN(C(=O)[C@@]23C[C@@H]2COC3(C)C)C2CC2)cc1 ZINC000857574757 1328552041 /nfs/dbraw/zinc/55/20/41/1328552041.db2.gz AASAIURKJDTBOY-FOIQADDNSA-N 0 0 328.456 3.059 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000929406669 1328590227 /nfs/dbraw/zinc/59/02/27/1328590227.db2.gz WYWNWLKVLMNZDW-HUUCEWRRSA-N 0 0 344.377 3.259 10 10 EGCERN Cc1cc(Cl)cc(CN2Cc3ccccc3N(C)C(=O)C2)c1O ZINC000857881523 1328614354 /nfs/dbraw/zinc/61/43/54/1328614354.db2.gz HMVCANROBCBSBK-UHFFFAOYSA-N 0 0 330.815 3.333 10 10 EGCERN CC(C)n1ncc2cc(NC(=O)N3Cc4cccc(O)c4C3)cnc21 ZINC000929670631 1328664629 /nfs/dbraw/zinc/66/46/29/1328664629.db2.gz NOSYJRQQIRUDKS-UHFFFAOYSA-N 0 0 337.383 3.266 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3coc(C(F)F)c3)CC2)cc1 ZINC000858128255 1328689641 /nfs/dbraw/zinc/68/96/41/1328689641.db2.gz GSFVFIACUFETEZ-UHFFFAOYSA-N 0 0 336.338 3.188 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)[C@@]12CCO[C@H]1CCCC2 ZINC000930206213 1328811359 /nfs/dbraw/zinc/81/13/59/1328811359.db2.gz SNDHQRVAJQHQMB-ICSRJNTNSA-N 0 0 328.456 3.252 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000913926364 1319179236 /nfs/dbraw/zinc/17/92/36/1319179236.db2.gz ANTXFJVTHHRVEN-GOSISDBHSA-N 0 0 345.487 3.101 10 10 EGCERN CCOc1ccc([C@@H](C)NC(=O)NCc2c(O)cccc2F)cc1 ZINC000913973247 1319199867 /nfs/dbraw/zinc/19/98/67/1319199867.db2.gz HZUOQFPKQZPQAR-GFCCVEGCSA-N 0 0 332.375 3.490 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCOc2ccccc21 ZINC000915803179 1319538380 /nfs/dbraw/zinc/53/83/80/1319538380.db2.gz UPEALJQHDHNELC-OAHLLOKOSA-N 0 0 330.359 3.244 10 10 EGCERN O=C(C=Cc1ccccc1Cl)OCC(=O)c1ccc(O)c(O)c1 ZINC000916617449 1319685062 /nfs/dbraw/zinc/68/50/62/1319685062.db2.gz RUUJKQZTIQTYPB-VURMDHGXSA-N 0 0 332.739 3.191 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NC[C@H]1CCCO1 ZINC000917593179 1319845365 /nfs/dbraw/zinc/84/53/65/1319845365.db2.gz GRWATEQVYJJHLJ-QGZVFWFLSA-N 0 0 335.517 3.017 10 10 EGCERN COC(=O)c1cc(OCc2nc(C(C)C)ns2)ccc1N(C)C ZINC000918649560 1319982908 /nfs/dbraw/zinc/98/29/08/1319982908.db2.gz BPRHBBLJTDHSCF-UHFFFAOYSA-N 0 0 335.429 3.093 10 10 EGCERN COC[C@@H]1CCN1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000858907637 1328888078 /nfs/dbraw/zinc/88/80/78/1328888078.db2.gz ZOVHDEFUBNHYGO-SFHVURJKSA-N 0 0 327.428 3.024 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H]2CCCOC2)ccc1C ZINC000859253596 1328955653 /nfs/dbraw/zinc/95/56/53/1328955653.db2.gz ZNBCPGQAFRRNGM-SFHVURJKSA-N 0 0 340.423 3.124 10 10 EGCERN COc1ccc(N(C)C[C@@H](O)COc2ccc3cc[nH]c3c2)cc1 ZINC000930844388 1328985528 /nfs/dbraw/zinc/98/55/28/1328985528.db2.gz GWCROFCXDXUZNU-MRXNPFEDSA-N 0 0 326.396 3.053 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccc2cccnc21 ZINC000930905264 1329003022 /nfs/dbraw/zinc/00/30/22/1329003022.db2.gz CEKIAOXJJPCEPS-UHFFFAOYSA-N 0 0 334.423 3.358 10 10 EGCERN COC[C@H]1C[C@@H](NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000921346891 1322297993 /nfs/dbraw/zinc/29/79/93/1322297993.db2.gz SZOZXQMGEDHPJO-WOVMCDHWSA-N 0 0 340.423 3.061 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000921767583 1322395310 /nfs/dbraw/zinc/39/53/10/1322395310.db2.gz QNNRTWQVVSMGQA-KBXCAEBGSA-N 0 0 344.386 3.108 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000921993606 1322436356 /nfs/dbraw/zinc/43/63/56/1322436356.db2.gz DWGSEBUUFJQTGS-KSSFIOAISA-N 0 0 344.386 3.251 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922806160 1322622838 /nfs/dbraw/zinc/62/28/38/1322622838.db2.gz FGNGOSYPXDIRBY-LLVKDONJSA-N 0 0 329.799 3.003 10 10 EGCERN O=C(COC(=O)c1cccc(O)c1O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000859641668 1329043259 /nfs/dbraw/zinc/04/32/59/1329043259.db2.gz AKJKDDNWHYEZLG-VHSXEESVSA-N 0 0 346.301 3.192 10 10 EGCERN CC/C=C(\F)C(=O)NCc1cc(NC(=O)/C(F)=C/CC)ccc1O ZINC000923119723 1322695704 /nfs/dbraw/zinc/69/57/04/1322695704.db2.gz QVIKSBUZNAMXRS-GFIWHYBVSA-N 0 0 338.354 3.474 10 10 EGCERN CON(Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1csc(C)n1 ZINC000931549764 1329141708 /nfs/dbraw/zinc/14/17/08/1329141708.db2.gz ZCSPHJINOPXJNS-CQSZACIVSA-N 0 0 347.484 3.413 10 10 EGCERN O=C(NCc1c(O)cccc1F)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000931562154 1329144737 /nfs/dbraw/zinc/14/47/37/1329144737.db2.gz BSYZRVDDIDUXAB-CYBMUJFWSA-N 0 0 330.359 3.357 10 10 EGCERN Cc1ccc(O)c(CNC(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000860925162 1329370293 /nfs/dbraw/zinc/37/02/93/1329370293.db2.gz LDZJCTJJZZDHEW-UHFFFAOYSA-N 0 0 329.404 3.119 10 10 EGCERN CCO[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])CN(C)C ZINC000926958282 1327798159 /nfs/dbraw/zinc/79/81/59/1327798159.db2.gz GCPYQPPBHJUXAM-GHMZBOCLSA-N 0 0 335.275 3.316 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NC[C@@]2(c3ccccc3)CCCO2)c1 ZINC000927681814 1328104271 /nfs/dbraw/zinc/10/42/71/1328104271.db2.gz BBJJAQZNNBGLJR-HXUWFJFHSA-N 0 0 340.423 3.206 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC12CCCC2 ZINC000929007883 1328488411 /nfs/dbraw/zinc/48/84/11/1328488411.db2.gz ZRSSPLBGEMDVLI-CQSZACIVSA-N 0 0 334.803 3.143 10 10 EGCERN COC[C@@H]1CCN1C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000861827934 1329444093 /nfs/dbraw/zinc/44/40/93/1329444093.db2.gz MWGHACBSLOGUNG-SFHVURJKSA-N 0 0 340.423 3.076 10 10 EGCERN COc1ccc2c(c1)CCCN2Cc1cn(C)nc1Br ZINC000862304204 1329475021 /nfs/dbraw/zinc/47/50/21/1329475021.db2.gz KUOZVXRVUCBZRS-UHFFFAOYSA-N 0 0 336.233 3.144 10 10 EGCERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cscc1Cl ZINC000864984067 1329658345 /nfs/dbraw/zinc/65/83/45/1329658345.db2.gz FJJJAIIYPHOAOD-UHFFFAOYSA-N 0 0 336.844 3.168 10 10 EGCERN COc1cc(CNc2ncc3c(n2)COC3)c(O)c(C(C)(C)C)c1 ZINC000865294952 1329684109 /nfs/dbraw/zinc/68/41/09/1329684109.db2.gz VTZPLINCQCVBKY-UHFFFAOYSA-N 0 0 329.400 3.131 10 10 EGCERN CC(C)(C)c1cnc(SCc2nc3c(c(=O)[nH]2)COCC3)s1 ZINC000865359370 1329688733 /nfs/dbraw/zinc/68/87/33/1329688733.db2.gz INGDTQOLQGBELK-UHFFFAOYSA-N 0 0 337.470 3.301 10 10 EGCERN CN(C)c1ccc(CNc2ccc(CO)c(Br)n2)cc1 ZINC000865416301 1329694176 /nfs/dbraw/zinc/69/41/76/1329694176.db2.gz XMRJPDOGDXFTPG-UHFFFAOYSA-N 0 0 336.233 3.015 10 10 EGCERN c1nc(CNCc2ccc(N3CCSCC3)cc2)cn1C1CC1 ZINC000865418156 1329694669 /nfs/dbraw/zinc/69/46/69/1329694669.db2.gz XDJXSXMGJLLGOS-UHFFFAOYSA-N 0 0 328.485 3.061 10 10 EGCERN C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000866412887 1330108618 /nfs/dbraw/zinc/10/86/18/1330108618.db2.gz NBFUVQDRRVZGJZ-QWRGUYRKSA-N 0 0 347.286 3.195 10 10 EGCERN COc1ccc(N2CCCN(C(=O)OCCC(F)(F)F)CC2)cc1 ZINC000866561128 1330126944 /nfs/dbraw/zinc/12/69/44/1330126944.db2.gz AEMCWOLUVHEJME-UHFFFAOYSA-N 0 0 346.349 3.296 10 10 EGCERN C[C@@H](NC(=O)c1cccn(C(C)(C)C)c1=O)c1ccc(N(C)C)cc1 ZINC000867502713 1330206450 /nfs/dbraw/zinc/20/64/50/1330206450.db2.gz BJOZFDURCPXUIN-CQSZACIVSA-N 0 0 341.455 3.160 10 10 EGCERN CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836174 1330222860 /nfs/dbraw/zinc/22/28/60/1330222860.db2.gz ILFXCOZHRNCSLI-NSHDSACASA-N 0 0 335.416 3.444 10 10 EGCERN O=C(NCC[C@@H]1CCSC1)NCc1c(O)ccc2c1CCCC2 ZINC000868829193 1330355667 /nfs/dbraw/zinc/35/56/67/1330355667.db2.gz IKQXDGXASQOWLF-CYBMUJFWSA-N 0 0 334.485 3.213 10 10 EGCERN COc1ccc(N2CCCN(C(=O)N[C@H]3CCCC34CC4)CC2)cc1 ZINC000868843678 1330358472 /nfs/dbraw/zinc/35/84/72/1330358472.db2.gz GUYHNRHPUDXACL-SFHVURJKSA-N 0 0 343.471 3.250 10 10 EGCERN CCOC1CC2(C[C@H]2C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000868890353 1330368359 /nfs/dbraw/zinc/36/83/59/1330368359.db2.gz RKNWXZMPAPYGIG-SYBQKDCBSA-N 0 0 344.499 3.313 10 10 EGCERN O=[N+]([O-])c1cnc(NCc2cccc(Br)c2O)c(F)c1 ZINC001186359526 1387928724 /nfs/dbraw/zinc/92/87/24/1387928724.db2.gz NMCOLLXVLLJACS-UHFFFAOYSA-N 0 0 342.124 3.209 10 10 EGCERN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCCN1CCCC1=O ZINC001195325290 1368421170 /nfs/dbraw/zinc/42/11/70/1368421170.db2.gz YEWVMPURDXYOOB-KRWDZBQOSA-N 0 0 330.472 3.342 10 10 EGCERN Cc1ccc(O)c(CNc2nn3cc(-c4cccnc4)nc3s2)c1 ZINC001187081405 1388048057 /nfs/dbraw/zinc/04/80/57/1388048057.db2.gz KSGPURJWJVKCKB-UHFFFAOYSA-N 0 0 337.408 3.479 10 10 EGCERN Cn1nc(C2CC2)cc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001119474405 1371351021 /nfs/dbraw/zinc/35/10/21/1371351021.db2.gz CVPWWQIIEXVUQY-UHFFFAOYSA-N 0 0 329.381 3.176 10 10 EGCERN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2ccccc2n1 ZINC001124480640 1372705770 /nfs/dbraw/zinc/70/57/70/1372705770.db2.gz SGZLUFMTMVOOHC-UHFFFAOYSA-N 0 0 335.407 3.239 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2nccn2c1 ZINC001124622723 1372717330 /nfs/dbraw/zinc/71/73/30/1372717330.db2.gz KBAQWDKTRGLINX-UHFFFAOYSA-N 0 0 334.423 3.207 10 10 EGCERN Cc1cc(CC(=O)N2CCOC(C)(C)C2)c(C)n1-c1ccccc1 ZINC001124970167 1372744455 /nfs/dbraw/zinc/74/44/55/1372744455.db2.gz IEGDUCNCWGOUMK-UHFFFAOYSA-N 0 0 326.440 3.274 10 10 EGCERN Cc1ccncc1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001126782931 1373022437 /nfs/dbraw/zinc/02/24/37/1373022437.db2.gz BJPIKAGRZSEPLS-UHFFFAOYSA-N 0 0 343.390 3.281 10 10 EGCERN CN1CCN(C(=O)/C=C\c2cncc(F)c2)c2ccc(Cl)cc21 ZINC001131990262 1375085022 /nfs/dbraw/zinc/08/50/22/1375085022.db2.gz FPMAOOFJMIFSOL-DJWKRKHSSA-N 0 0 331.778 3.370 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccccn2)c1 ZINC001135402386 1377076142 /nfs/dbraw/zinc/07/61/42/1377076142.db2.gz KOWWLVWLSVGDFP-UHFFFAOYSA-N 0 0 333.391 3.232 10 10 EGCERN CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001135643095 1377173133 /nfs/dbraw/zinc/17/31/33/1377173133.db2.gz PQUFHDWIUFNJNM-UHFFFAOYSA-N 0 0 347.802 3.173 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)NCCSc1ccc(Cl)cc1 ZINC001135889540 1377251840 /nfs/dbraw/zinc/25/18/40/1377251840.db2.gz MZWNNTOOSBEOAS-UHFFFAOYSA-N 0 0 337.828 3.202 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cl)c(F)c2N)cc1 ZINC001135914434 1377260467 /nfs/dbraw/zinc/26/04/67/1377260467.db2.gz FNRAUILQQRSDQU-UHFFFAOYSA-N 0 0 335.810 3.400 10 10 EGCERN Cc1nc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)cs1 ZINC001136098949 1377342986 /nfs/dbraw/zinc/34/29/86/1377342986.db2.gz LZZOKQSDAASNQG-UHFFFAOYSA-N 0 0 334.422 3.050 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@](C)(O)C(C)C ZINC001136987705 1377450923 /nfs/dbraw/zinc/45/09/23/1377450923.db2.gz GFWIGVIYWDIUEQ-FQEVSTJZSA-N 0 0 342.439 3.043 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)c1cc(F)ccc1-c1ccoc1 ZINC001137443595 1377548565 /nfs/dbraw/zinc/54/85/65/1377548565.db2.gz VRNLHMDTKSUCHS-UHFFFAOYSA-N 0 0 327.311 3.427 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2ccccn12 ZINC001141980523 1378400624 /nfs/dbraw/zinc/40/06/24/1378400624.db2.gz VZVXCRCDOHICGJ-UHFFFAOYSA-N 0 0 336.439 3.451 10 10 EGCERN CCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001142057380 1378408911 /nfs/dbraw/zinc/40/89/11/1378408911.db2.gz YUSWQDNHCSDINL-UHFFFAOYSA-N 0 0 348.786 3.281 10 10 EGCERN Cc1cc(C(=O)NC[C@H](O)C2CCC2)c(C)n1-c1cccc(C)c1 ZINC001142260487 1378426097 /nfs/dbraw/zinc/42/60/97/1378426097.db2.gz VEVDNCQZVFUNRL-IBGZPJMESA-N 0 0 326.440 3.293 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001142690100 1378478459 /nfs/dbraw/zinc/47/84/59/1378478459.db2.gz HMGDWIFXPVZVQG-HUUCEWRRSA-N 0 0 347.455 3.356 10 10 EGCERN CC1SC(C(=O)NCc2ccc(N3CCCCC3)cc2)=NC1=O ZINC001142846864 1378494760 /nfs/dbraw/zinc/49/47/60/1378494760.db2.gz DOKBEHFKQCMLDX-UHFFFAOYSA-N 0 0 331.441 3.077 10 10 EGCERN CC(C)COc1ccc(CCNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001144739668 1378767262 /nfs/dbraw/zinc/76/72/62/1378767262.db2.gz QLDVVIQPCGSUEE-UHFFFAOYSA-N 0 0 343.423 3.034 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1F ZINC001144979086 1378786270 /nfs/dbraw/zinc/78/62/70/1378786270.db2.gz YUSLEGBVHMRWIW-ZXTQRBJTSA-N 0 0 336.451 3.348 10 10 EGCERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1c1ccccc1 ZINC001148038965 1379108455 /nfs/dbraw/zinc/10/84/55/1379108455.db2.gz PUFKJZXTWPZQNH-WMLDXEAASA-N 0 0 325.408 3.293 10 10 EGCERN COc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c(C)n1 ZINC001150423738 1379552653 /nfs/dbraw/zinc/55/26/53/1379552653.db2.gz VGSHEZAGNOENQG-UHFFFAOYSA-N 0 0 330.365 3.277 10 10 EGCERN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccccc1O ZINC001151892057 1379811673 /nfs/dbraw/zinc/81/16/73/1379811673.db2.gz GRWFBBCMWISSRG-NSHDSACASA-N 0 0 342.420 3.318 10 10 EGCERN CN(C)c1ccc(N=Nc2ccccc2C(=O)Nn2cnnc2)cc1 ZINC001152539507 1379946802 /nfs/dbraw/zinc/94/68/02/1379946802.db2.gz DYJZQDPXVLFBMU-UHFFFAOYSA-N 0 0 335.371 3.143 10 10 EGCERN Cn1c2ccccc2c(Cl)c1C(=O)NCc1cccc(O)c1O ZINC001153792965 1380131023 /nfs/dbraw/zinc/13/10/23/1380131023.db2.gz WPXPJIFBMLMQIJ-UHFFFAOYSA-N 0 0 330.771 3.173 10 10 EGCERN O=C(NCc1cccc(O)c1O)c1cc(-n2cccc2)ccc1Cl ZINC001153798950 1380131975 /nfs/dbraw/zinc/13/19/75/1380131975.db2.gz YPIRLHDTBDLXFL-UHFFFAOYSA-N 0 0 342.782 3.472 10 10 EGCERN Cc1cc(CNC(=O)c2c[nH]c(C)cc2=O)c(C)n1-c1ccccc1 ZINC001287661657 1381319653 /nfs/dbraw/zinc/31/96/53/1381319653.db2.gz VMOGOYFCAMLDEN-UHFFFAOYSA-N 0 0 335.407 3.021 10 10 EGCERN CN(C(=O)Cc1ccc(O)c(O)c1)c1cccc(OC(F)(F)F)c1 ZINC001292835034 1382219246 /nfs/dbraw/zinc/21/92/46/1382219246.db2.gz AHTBUJRWEGYNMD-UHFFFAOYSA-N 0 0 341.285 3.202 10 10 EGCERN O=Cc1ccc(/C=C\C(=O)NCCCSc2nccs2)cc1 ZINC001292997288 1382242478 /nfs/dbraw/zinc/24/24/78/1382242478.db2.gz MHNSHZZDHOUIAA-SREVYHEPSA-N 0 0 332.450 3.267 10 10 EGCERN Cc1ccc(OC(F)F)c(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC001160987361 1382262392 /nfs/dbraw/zinc/26/23/92/1382262392.db2.gz SXMZDPYYPIKCOI-UHFFFAOYSA-N 0 0 341.285 3.077 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Cl)cc(F)c1N ZINC001293955454 1382399626 /nfs/dbraw/zinc/39/96/26/1382399626.db2.gz IWEXYHTUAMJYPW-UHFFFAOYSA-N 0 0 349.793 3.167 10 10 EGCERN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC001162271997 1382717936 /nfs/dbraw/zinc/71/79/36/1382717936.db2.gz YCEKSTNLQLHBHH-NSHDSACASA-N 0 0 335.787 3.143 10 10 EGCERN COc1ccc(CNC(=O)c2c[nH]cc2Cc2ccccc2)c(O)c1 ZINC001296968439 1383101700 /nfs/dbraw/zinc/10/17/00/1383101700.db2.gz NMGHYGJPQMMLJF-UHFFFAOYSA-N 0 0 336.391 3.250 10 10 EGCERN CCC1CN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC001299036961 1383457734 /nfs/dbraw/zinc/45/77/34/1383457734.db2.gz FUIPNGUCUIWHCR-UHFFFAOYSA-N 0 0 326.440 3.397 10 10 EGCERN CCO[C@H]1C[C@@H](NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001299131352 1383473826 /nfs/dbraw/zinc/47/38/26/1383473826.db2.gz PFOVNLGYLFRFBD-IZAXUBKRSA-N 0 0 340.423 3.204 10 10 EGCERN Cc1cc2occ(CC(=O)NCc3ccc(O)cc3O)c2cc1C ZINC001299571299 1383572629 /nfs/dbraw/zinc/57/26/29/1383572629.db2.gz SQBRZMWWVAZRBX-UHFFFAOYSA-N 0 0 325.364 3.320 10 10 EGCERN CO[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)C(C)C ZINC001299678392 1383608287 /nfs/dbraw/zinc/60/82/87/1383608287.db2.gz NHTVJMCJGAANBP-QGZVFWFLSA-N 0 0 344.459 3.169 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1c(Cl)n[nH]c1C1CC1 ZINC001299726370 1383625036 /nfs/dbraw/zinc/62/50/36/1383625036.db2.gz SGPHRBBIIIKQFC-UHFFFAOYSA-N 0 0 342.786 3.124 10 10 EGCERN Cc1ccn(-c2cccc(C(=O)NCc3cc(Cl)ccc3O)c2)n1 ZINC001300397745 1383662397 /nfs/dbraw/zinc/66/23/97/1383662397.db2.gz ASQJODNCOOTRBV-UHFFFAOYSA-N 0 0 341.798 3.470 10 10 EGCERN CCOc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001300828868 1383682751 /nfs/dbraw/zinc/68/27/51/1383682751.db2.gz LXKKHKWNHXVFGO-UHFFFAOYSA-N 0 0 330.365 3.359 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cnc(-c3cccnc3)s2)c1 ZINC001301046959 1383692272 /nfs/dbraw/zinc/69/22/72/1383692272.db2.gz OLVVQOSWIFTLQV-UHFFFAOYSA-N 0 0 325.393 3.149 10 10 EGCERN CC(=O)Nc1cccc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001304090333 1383828948 /nfs/dbraw/zinc/82/89/48/1383828948.db2.gz ZJMRNDNKLUZZHZ-UHFFFAOYSA-N 0 0 334.375 3.434 10 10 EGCERN Nc1cc(F)c(F)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304090633 1383829098 /nfs/dbraw/zinc/82/90/98/1383829098.db2.gz LVBSJRJOEHLMLH-UHFFFAOYSA-N 0 0 328.318 3.336 10 10 EGCERN Cc1nn(C)c(C)c1CCC(=O)NCc1c(O)ccc2ccccc21 ZINC001304089543 1383829194 /nfs/dbraw/zinc/82/91/94/1383829194.db2.gz ALDJRKBQCMUUKL-UHFFFAOYSA-N 0 0 337.423 3.145 10 10 EGCERN CC1CCN(c2ccc(CNc3nn(C)cc3[N+](=O)[O-])cc2)CC1 ZINC001306961906 1383926492 /nfs/dbraw/zinc/92/64/92/1383926492.db2.gz HZRKEBJAVQSOBC-UHFFFAOYSA-N 0 0 329.404 3.177 10 10 EGCERN COCC1(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001312573659 1384358324 /nfs/dbraw/zinc/35/83/24/1384358324.db2.gz JTZCXKUTHXELQD-UHFFFAOYSA-N 0 0 345.487 3.245 10 10 EGCERN C[C@@H](NC(=O)c1csc(Br)n1)c1ccccc1O ZINC001171723199 1384614166 /nfs/dbraw/zinc/61/41/66/1384614166.db2.gz ODRJFRYFDDODGS-SSDOTTSWSA-N 0 0 327.203 3.102 10 10 EGCERN C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cn1)c1ccccc1O ZINC001171730561 1384617363 /nfs/dbraw/zinc/61/73/63/1384617363.db2.gz OKUSKIMZCANRGF-NSHDSACASA-N 0 0 332.787 3.281 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCC(=O)CC2CCCCC2)cc1 ZINC001175543480 1385326597 /nfs/dbraw/zinc/32/65/97/1385326597.db2.gz GKXMITZHDJFPTI-UHFFFAOYSA-N 0 0 330.388 3.118 10 10 EGCERN Cc1onc(-c2cccs2)c1C(=O)NCc1cccc(O)c1O ZINC001176576456 1385629783 /nfs/dbraw/zinc/62/97/83/1385629783.db2.gz MUPBPGQDEAEMME-UHFFFAOYSA-N 0 0 330.365 3.053 10 10 EGCERN CO[C@H]1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC001320665066 1386685125 /nfs/dbraw/zinc/68/51/25/1386685125.db2.gz RONHJKWYBSNOST-AEFFLSMTSA-N 0 0 333.476 3.240 10 10 EGCERN CC(C)CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC001329343670 1389068945 /nfs/dbraw/zinc/06/89/45/1389068945.db2.gz GNVAKVDQVRKHKC-UHFFFAOYSA-N 0 0 344.455 3.052 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCOC[C@@H]1C ZINC001329987774 1389280217 /nfs/dbraw/zinc/28/02/17/1389280217.db2.gz ZUAIKFWXRHTXGD-SCLBCKFNSA-N 0 0 340.423 3.061 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)c3c(C)cccc3F)C2)cc1 ZINC001330885556 1389554380 /nfs/dbraw/zinc/55/43/80/1389554380.db2.gz DFUCKLMCEBFFHB-AWEZNQCLSA-N 0 0 328.387 3.151 10 10 EGCERN CC(C)CC[C@](C)(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001338342428 1389644398 /nfs/dbraw/zinc/64/43/98/1389644398.db2.gz ZBZUZJQWIGLUSE-KRWDZBQOSA-N 0 0 337.441 3.230 10 10 EGCERN Nc1ccc(Cc2nc(C(=O)NCC[C@H]3CC3(F)F)cs2)cc1 ZINC001331343560 1389710753 /nfs/dbraw/zinc/71/07/53/1389710753.db2.gz JBVHNKBCTCLNOB-NSHDSACASA-N 0 0 337.395 3.091 10 10 EGCERN COC(=O)c1c(CN(C)Cc2cscn2)c2cc(F)ccc2n1C ZINC001331552751 1389797276 /nfs/dbraw/zinc/79/72/76/1389797276.db2.gz QWIWQBRPDCNWRI-UHFFFAOYSA-N 0 0 347.415 3.193 10 10 EGCERN O=C(N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc2cc(O)c(O)cc2s1 ZINC001338936437 1389832067 /nfs/dbraw/zinc/83/20/67/1389832067.db2.gz CEXCMKCPIHDYER-AYMMMOKOSA-N 0 0 325.336 3.086 10 10 EGCERN O=C(NCc1c(O)cccc1F)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001341208324 1390455861 /nfs/dbraw/zinc/45/58/61/1390455861.db2.gz XTBKAGXSALWBOB-CQSZACIVSA-N 0 0 346.358 3.021 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Nc2ccc(CO)cc2)cc1 ZINC001344782101 1390814519 /nfs/dbraw/zinc/81/45/19/1390814519.db2.gz CHNOURVTBYPQFH-UHFFFAOYSA-N 0 0 327.428 3.347 10 10 EGCERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CCCC2)cc1 ZINC001347177561 1391019296 /nfs/dbraw/zinc/01/92/96/1391019296.db2.gz AHYZGERFOJSPFI-CZUORRHYSA-N 0 0 328.378 3.438 10 10 EGCERN CCn1nc(C)cc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351162016 1391606398 /nfs/dbraw/zinc/60/63/98/1391606398.db2.gz BOYWGFKGDSZIQN-UHFFFAOYSA-N 0 0 326.444 3.084 10 10 EGCERN CN(C)c1ccc(CNC(=O)Cc2ccc([Si](C)(C)C)cc2)cc1 ZINC001353503103 1392025255 /nfs/dbraw/zinc/02/52/55/1392025255.db2.gz GXJFOVZKHLBMLB-UHFFFAOYSA-N 0 0 340.543 3.157 10 10 EGCERN Cc1cc(CC(=O)N=c2sccn2C)c(C)n1-c1ccccc1 ZINC001354281592 1392135770 /nfs/dbraw/zinc/13/57/70/1392135770.db2.gz FWURZPBKYXYTMI-UHFFFAOYSA-N 0 0 325.437 3.164 10 10 EGCERN Cc1nnc(N2CCC[C@H]2C(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001726391073 1427056091 /nfs/dbraw/zinc/05/60/91/1427056091.db2.gz DIJLCQYHQVWZOT-KRWDZBQOSA-N 0 0 345.466 3.465 10 10 EGCERN CC(C)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001750798082 1440110468 /nfs/dbraw/zinc/11/04/68/1440110468.db2.gz MGCLNEQTVXPWPI-INIZCTEOSA-N 0 0 344.459 3.170 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1Cc1ccco1 ZINC001767111861 1441404522 /nfs/dbraw/zinc/40/45/22/1441404522.db2.gz IPXLCXVUKQRYHO-UHFFFAOYSA-N 0 0 349.394 3.257 10 10 EGCERN C[C@H]1CCC[C@@](CO)([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000053117558 214164783 /nfs/dbraw/zinc/16/47/83/214164783.db2.gz RJSRXXDVRLGEKH-XHDPSFHLSA-N 0 0 328.250 3.186 10 10 EGCERN Cn1nccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000035678434 213045166 /nfs/dbraw/zinc/04/51/66/213045166.db2.gz RXXOHVZAJWXITD-JXAWBTAJSA-N 0 0 328.375 3.255 10 10 EGCERN Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=CSC3=NC2=O)cc1 ZINC000004908844 292036989 /nfs/dbraw/zinc/03/69/89/292036989.db2.gz ZJCJVXHTENCKTH-CBMDOVLYSA-N 0 0 335.392 3.035 10 10 EGCERN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](c2ccccc2)O1 ZINC000180706378 455231081 /nfs/dbraw/zinc/23/10/81/455231081.db2.gz STHUUOCOYAICJC-XGKLZFSYSA-N 0 0 339.391 3.100 10 10 EGCERN Cn1cccc1[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180838338 455253159 /nfs/dbraw/zinc/25/31/59/455253159.db2.gz PBQOAWICNOYEQX-XAVKZTDYSA-N 0 0 326.396 3.203 10 10 EGCERN COc1cc(C=C2SC(Nc3cccc(O)c3)=NC2=O)ccc1O ZINC000005586391 452886909 /nfs/dbraw/zinc/88/69/09/452886909.db2.gz FRTUBIYUXRFDKV-NVNXTCNLSA-N 0 0 342.376 3.189 10 10 EGCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cccnc1 ZINC000174071300 455356066 /nfs/dbraw/zinc/35/60/66/455356066.db2.gz FVQWGUKANPMALH-YJBOKZPZSA-N 0 0 340.423 3.099 10 10 EGCERN COC(=O)c1ccc(/N=N/N(C)COC(=O)c2ccccc2)cc1 ZINC000027179228 453812908 /nfs/dbraw/zinc/81/29/08/453812908.db2.gz MWPZMEKGOFZZDZ-VHEBQXMUSA-N 0 0 327.340 3.218 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3ccnc(Cl)c3)CC2)cc1 ZINC000181883066 455393965 /nfs/dbraw/zinc/39/39/65/455393965.db2.gz HCNSZYHJIFMGRC-UHFFFAOYSA-N 0 0 346.818 3.098 10 10 EGCERN CN(C)c1nccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 ZINC000077191928 454072966 /nfs/dbraw/zinc/07/29/66/454072966.db2.gz YYTOUWGXRADHOG-UHFFFAOYSA-N 0 0 337.402 3.457 10 10 EGCERN CC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000130973096 454229353 /nfs/dbraw/zinc/22/93/53/454229353.db2.gz FTSRPTADTMFOEN-WMLDXEAASA-N 0 0 327.476 3.482 10 10 EGCERN O=C(/C=C/C1CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203130 454695122 /nfs/dbraw/zinc/69/51/22/454695122.db2.gz DCPVLXPJIYBYDG-AZWQULSGSA-N 0 0 336.382 3.339 10 10 EGCERN CC[N@H+](CCc1nccs1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093764504 454732614 /nfs/dbraw/zinc/73/26/14/454732614.db2.gz UJWGFQVGGARXEK-UHFFFAOYSA-N 0 0 341.820 3.475 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)N(C)C[C@H]3CCCO3)cc2)CC1 ZINC000108583814 454804469 /nfs/dbraw/zinc/80/44/69/454804469.db2.gz MYAPUUHCLGPFSF-LJQANCHMSA-N 0 0 345.487 3.243 10 10 EGCERN COc1cc(N2CCN([C@@H](C)c3ccco3)CC2)cc(OC)c1OC ZINC000170602827 454939480 /nfs/dbraw/zinc/93/94/80/454939480.db2.gz DUWMOWFLDZJSCS-AWEZNQCLSA-N 0 0 346.427 3.189 10 10 EGCERN Cc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)s1 ZINC000179128474 455011754 /nfs/dbraw/zinc/01/17/54/455011754.db2.gz OUJIDVLNEFXODT-OAHLLOKOSA-N 0 0 346.452 3.287 10 10 EGCERN Cn1cc([C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)cn1 ZINC000128459337 455058670 /nfs/dbraw/zinc/05/86/70/455058670.db2.gz XIBLUMFHBDATDS-JTQLQIEISA-N 0 0 326.227 3.422 10 10 EGCERN C[C@H](C1CC1)n1nccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000156058397 455077269 /nfs/dbraw/zinc/07/72/69/455077269.db2.gz SABMPPLPQATLOW-CYBMUJFWSA-N 0 0 327.432 3.242 10 10 EGCERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172107385 455122341 /nfs/dbraw/zinc/12/23/41/455122341.db2.gz UXWYAHKHKLONAB-QRWLVFNGSA-N 0 0 336.435 3.468 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)CCO2 ZINC000182971600 455202149 /nfs/dbraw/zinc/20/21/49/455202149.db2.gz CPQDLUNUEAFGPW-UHFFFAOYSA-N 0 0 339.395 3.118 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3sc(C)nc3C)CC2)cc1 ZINC000268108075 455593091 /nfs/dbraw/zinc/59/30/91/455593091.db2.gz GBKBGCSDBYRVQW-UHFFFAOYSA-N 0 0 346.456 3.123 10 10 EGCERN COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000185711885 455602871 /nfs/dbraw/zinc/60/28/71/455602871.db2.gz IRINEXFTGQBCLB-HIFRSBDPSA-N 0 0 330.403 3.469 10 10 EGCERN C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000185762759 455616683 /nfs/dbraw/zinc/61/66/83/455616683.db2.gz NTPBXWXXYNVGQE-CJNGLKHVSA-N 0 0 334.435 3.363 10 10 EGCERN Oc1ccc2c(c1CNc1ncnc3c1ncn3C1CC1)CCCC2 ZINC000292846062 455762911 /nfs/dbraw/zinc/76/29/11/455762911.db2.gz VTEJVNBCLUNXKV-UHFFFAOYSA-N 0 0 335.411 3.358 10 10 EGCERN COc1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000293520527 455790257 /nfs/dbraw/zinc/79/02/57/455790257.db2.gz CYTHRIBDABKZLR-INIZCTEOSA-N 0 0 325.767 3.017 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCOC[C@@H]3C)ccc21 ZINC000278405170 455835261 /nfs/dbraw/zinc/83/52/61/455835261.db2.gz DXJCMGXKDZHAHY-SCLBCKFNSA-N 0 0 344.455 3.059 10 10 EGCERN CCOc1ccc(O)c(CNc2ccc(F)c(N3CCOC3=O)c2)c1 ZINC000279672537 455870679 /nfs/dbraw/zinc/87/06/79/455870679.db2.gz HWKKWKWCWIALJA-UHFFFAOYSA-N 0 0 346.358 3.499 10 10 EGCERN Cc1cccc2c1OCC[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000188094096 455995701 /nfs/dbraw/zinc/99/57/01/455995701.db2.gz IRMPMIPEJQQZNW-VFADXPBXSA-N 0 0 325.364 3.059 10 10 EGCERN CC(C)c1nn(C)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000280793887 456053389 /nfs/dbraw/zinc/05/33/89/456053389.db2.gz QJGUNLRYAGDZRO-UHFFFAOYSA-N 0 0 342.443 3.450 10 10 EGCERN COc1ccc(C(=O)C[C@@H](C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000273249514 456220964 /nfs/dbraw/zinc/22/09/64/456220964.db2.gz RKUZEIAEGCCIEE-CQSZACIVSA-N 0 0 341.407 3.268 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000281955567 456371960 /nfs/dbraw/zinc/37/19/60/456371960.db2.gz UAARHUYUGNGDBW-SECBINFHSA-N 0 0 334.294 3.391 10 10 EGCERN CN(CCCCO)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000276373503 456459887 /nfs/dbraw/zinc/45/98/87/456459887.db2.gz BXNIAALJHPGUKL-UHFFFAOYSA-N 0 0 347.503 3.369 10 10 EGCERN COc1ccc2c(c1)CCN2C(=O)c1c(C)onc1-c1cccnc1 ZINC000367229311 457935185 /nfs/dbraw/zinc/93/51/85/457935185.db2.gz FCTCBRACMOHMIV-UHFFFAOYSA-N 0 0 335.363 3.257 10 10 EGCERN Oc1cc2c(cc1CN1CCCC[C@@H]1c1noc(C3CC3)n1)OCO2 ZINC000362367810 458129866 /nfs/dbraw/zinc/12/98/66/458129866.db2.gz AWQNCQBHKWQQRN-CYBMUJFWSA-N 0 0 343.383 3.109 10 10 EGCERN Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377671224 458508810 /nfs/dbraw/zinc/50/88/10/458508810.db2.gz GIUHCPUWWJFVNO-AWEZNQCLSA-N 0 0 336.819 3.442 10 10 EGCERN Cc1cc(-c2nc([C@@H]3C[C@H]3C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000547181344 458704795 /nfs/dbraw/zinc/70/47/95/458704795.db2.gz AORMZYWGHSJKNK-ZWNOBZJWSA-N 0 0 339.420 3.385 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3COCC3(C)C)ccc21 ZINC000456546520 458709378 /nfs/dbraw/zinc/70/93/78/458709378.db2.gz QBVOCIHMRBMPDF-SFHVURJKSA-N 0 0 344.455 3.059 10 10 EGCERN CO[C@H](COc1ccc2c(c1)c1c(n2C)CCCC1)[C@@H]1CCOC1 ZINC000664104828 461943313 /nfs/dbraw/zinc/94/33/13/461943313.db2.gz MWWZZYANVIUSBC-JLTOFOAXSA-N 0 0 329.440 3.487 10 10 EGCERN C[C@H](NC(=O)C1(C(F)(F)F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000726145421 574543937 /nfs/dbraw/zinc/54/39/37/574543937.db2.gz DLVIXSGTTDANSN-LBPRGKRZSA-N 0 0 342.361 3.043 10 10 EGCERN Cc1cccc(-c2noc(COC(=O)c3ccc(C)c(O)c3O)n2)c1 ZINC000727004412 574630756 /nfs/dbraw/zinc/63/07/56/574630756.db2.gz VEBYQSLGVDCRSG-UHFFFAOYSA-N 0 0 340.335 3.122 10 10 EGCERN COC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000730885195 575033035 /nfs/dbraw/zinc/03/30/35/575033035.db2.gz ZHYNWYCIGHUSDX-UHFFFAOYSA-N 0 0 347.386 3.384 10 10 EGCERN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000732352661 575261477 /nfs/dbraw/zinc/26/14/77/575261477.db2.gz AXWAKDXALJAMDC-NEPJUHHUSA-N 0 0 345.420 3.367 10 10 EGCERN Cc1cc(CC(=O)NCC2(C)COC2)c(C)n1-c1ccc(Cl)cc1 ZINC000732951151 575297935 /nfs/dbraw/zinc/29/79/35/575297935.db2.gz MNJIXUJOWNVKEM-UHFFFAOYSA-N 0 0 346.858 3.443 10 10 EGCERN CCc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000734501576 575502650 /nfs/dbraw/zinc/50/26/50/575502650.db2.gz HIBRLRVWXAKYKC-UHFFFAOYSA-N 0 0 338.498 3.163 10 10 EGCERN Cc1csc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000115674832 1293193520 /nfs/dbraw/zinc/19/35/20/1293193520.db2.gz FVBCAEBCSBAAQB-ZDUSSCGKSA-N 0 0 332.473 3.386 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000115979952 1293198334 /nfs/dbraw/zinc/19/83/34/1293198334.db2.gz HNZYIETXHADNQP-GJZGRUSLSA-N 0 0 330.378 3.451 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)Br ZINC000228354503 1296153271 /nfs/dbraw/zinc/15/32/71/1296153271.db2.gz RATCBJJUZHOOFN-UHFFFAOYSA-N 0 0 327.266 3.275 10 10 EGCERN CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000871202687 1296270967 /nfs/dbraw/zinc/27/09/67/1296270967.db2.gz DZVDEKBHVIAZAZ-OAHLLOKOSA-N 0 0 348.443 3.174 10 10 EGCERN CC(C)Cn1cc(C(=O)N2Cc3cccc(O)c3C2)c(C(F)F)n1 ZINC000871204956 1296271223 /nfs/dbraw/zinc/27/12/23/1296271223.db2.gz MOJSPDLIDFIVBT-UHFFFAOYSA-N 0 0 335.354 3.338 10 10 EGCERN CN(C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1cccc(Cl)c1 ZINC000871203276 1296271731 /nfs/dbraw/zinc/27/17/31/1296271731.db2.gz VZOJELFITHXDDR-QGZVFWFLSA-N 0 0 330.815 3.191 10 10 EGCERN C[C@]1(C(=O)NCc2cc(Cl)ccc2O)OCCc2ccccc21 ZINC000880539678 1301153257 /nfs/dbraw/zinc/15/32/57/1301153257.db2.gz CJFRXYJHNMZGGL-SFHVURJKSA-N 0 0 331.799 3.150 10 10 EGCERN CN1CCCc2cc(CNC(=O)C[C@@H]3CCC4(CCC4)O3)ccc21 ZINC000888578332 1304204971 /nfs/dbraw/zinc/20/49/71/1304204971.db2.gz MMBJIYJLUCBGIL-KRWDZBQOSA-N 0 0 328.456 3.177 10 10 EGCERN COC(=O)c1c(CN2CC(C(F)(F)F)C2)c2cc(F)ccc2n1C ZINC000894890624 1309116764 /nfs/dbraw/zinc/11/67/64/1309116764.db2.gz LFWCARZPHYDKOQ-UHFFFAOYSA-N 0 0 344.308 3.098 10 10 EGCERN C[C@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275745 1309266634 /nfs/dbraw/zinc/26/66/34/1309266634.db2.gz OXRCCEBSYNDHST-HZMBPMFUSA-N 0 0 346.652 3.276 10 10 EGCERN CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895476855 1309358168 /nfs/dbraw/zinc/35/81/68/1309358168.db2.gz BZNYJOMTDHUCPM-JTQLQIEISA-N 0 0 348.668 3.401 10 10 EGCERN [O-]c1c(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)ccc(F)c1F ZINC000895801248 1309527067 /nfs/dbraw/zinc/52/70/67/1309527067.db2.gz ZHRYKHMVSVGBEI-CQSZACIVSA-N 0 0 341.398 3.126 10 10 EGCERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895848479 1309557348 /nfs/dbraw/zinc/55/73/48/1309557348.db2.gz RJYRZGYFJUJHQO-WFASDCNBSA-N 0 0 340.261 3.464 10 10 EGCERN Cc1nc(C)c(CCNC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC000896267598 1309776692 /nfs/dbraw/zinc/77/66/92/1309776692.db2.gz LWLYRQXPZUWDKF-UHFFFAOYSA-N 0 0 348.449 3.358 10 10 EGCERN CC(C)[C@]1(CO)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897858713 1310493421 /nfs/dbraw/zinc/49/34/21/1310493421.db2.gz ZWMSCEMXSSPRGU-GOSISDBHSA-N 0 0 349.452 3.183 10 10 EGCERN CO[C@@H]1C[C@@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000897920052 1310515909 /nfs/dbraw/zinc/51/59/09/1310515909.db2.gz UOXBVFINHJMTGZ-HZPDHXFCSA-N 0 0 347.436 3.342 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)c3ccn4ccccc34)C2)cc1 ZINC000898006991 1310549228 /nfs/dbraw/zinc/54/92/28/1310549228.db2.gz JLLHKHWNGJMXHZ-MRXNPFEDSA-N 0 0 349.434 3.204 10 10 EGCERN Cc1cc(C(=O)N[C@H]2CCn3cncc32)c(C)n1-c1cccc(C)c1 ZINC000857990429 1328651054 /nfs/dbraw/zinc/65/10/54/1328651054.db2.gz UHRYGWOWNSNPEQ-SFHVURJKSA-N 0 0 334.423 3.474 10 10 EGCERN O=C(c1cccc(O)c1O)N1CCCC[C@H]1CC1(O)CCCCC1 ZINC000899750672 1317143919 /nfs/dbraw/zinc/14/39/19/1317143919.db2.gz LMIWQRMZOAMPJB-AWEZNQCLSA-N 0 0 333.428 3.178 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCC12CC2 ZINC000858201694 1328710060 /nfs/dbraw/zinc/71/00/60/1328710060.db2.gz TVDGBRJRRXTECI-SFHVURJKSA-N 0 0 328.456 3.062 10 10 EGCERN Cc1cc(CNC(=O)NCC2(C)COC2)c(C)n1-c1cccc(C)c1 ZINC000858214090 1328712666 /nfs/dbraw/zinc/71/26/66/1328712666.db2.gz AGBDZIUTWUEBLT-UHFFFAOYSA-N 0 0 341.455 3.238 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1[O-] ZINC000858285813 1328728962 /nfs/dbraw/zinc/72/89/62/1328728962.db2.gz PNJBWWJASPGUII-AWEZNQCLSA-N 0 0 339.823 3.060 10 10 EGCERN COCc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1OC ZINC000858310459 1328734324 /nfs/dbraw/zinc/73/43/24/1328734324.db2.gz YGFZRBTTWMNLOM-UHFFFAOYSA-N 0 0 342.439 3.290 10 10 EGCERN COc1ccc(N(Cc2ccco2)C[C@H]2CCC3(COC3)O2)cc1F ZINC000929992095 1328759149 /nfs/dbraw/zinc/75/91/49/1328759149.db2.gz QSFFVEZLHVGJIM-MRXNPFEDSA-N 0 0 347.386 3.382 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858453052 1328766200 /nfs/dbraw/zinc/76/62/00/1328766200.db2.gz JFWTWIMTBROYIR-LRDDRELGSA-N 0 0 328.368 3.093 10 10 EGCERN CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc(Cl)c1[O-] ZINC000858590401 1328802325 /nfs/dbraw/zinc/80/23/25/1328802325.db2.gz WFQPKWLRYGTBQV-GUTXKFCHSA-N 0 0 337.807 3.308 10 10 EGCERN C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000858590056 1328802893 /nfs/dbraw/zinc/80/28/93/1328802893.db2.gz HYDIEBWKSDYAHR-LBPRGKRZSA-N 0 0 346.418 3.445 10 10 EGCERN CC(C)Oc1ccccc1CNC(=O)NCc1c(O)cccc1F ZINC000914300373 1319289132 /nfs/dbraw/zinc/28/91/32/1319289132.db2.gz RAAVAFFPFLQMHO-UHFFFAOYSA-N 0 0 332.375 3.318 10 10 EGCERN CO[C@H]1C[C@H](CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000914413102 1319320469 /nfs/dbraw/zinc/32/04/69/1319320469.db2.gz MXBPAQUIGIWLTC-RHDGDCLCSA-N 0 0 340.423 3.061 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)N3CCC(=O)[C@H](C)C3)cc2)CC1 ZINC000917523668 1319828237 /nfs/dbraw/zinc/82/82/37/1319828237.db2.gz QPRJAAHATOSRHI-MRXNPFEDSA-N 0 0 343.471 3.043 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2ccoc2)n[nH]1 ZINC000918119316 1319918956 /nfs/dbraw/zinc/91/89/56/1319918956.db2.gz SBZGFAMNUOVBCI-UHFFFAOYSA-N 0 0 336.395 3.200 10 10 EGCERN C[C@@H](NC(=O)C[C@H](C)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000858787411 1328861404 /nfs/dbraw/zinc/86/14/04/1328861404.db2.gz CZZJIWZDCSZEEU-QWHCGFSZSA-N 0 0 344.377 3.289 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@]1(C)Br ZINC000858826291 1328869010 /nfs/dbraw/zinc/86/90/10/1328869010.db2.gz GNHVAIDYTJZPAF-GDBMZVCRSA-N 0 0 339.277 3.275 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000858865979 1328879672 /nfs/dbraw/zinc/87/96/72/1328879672.db2.gz SPTNVBMOZNNADF-DLBZAZTESA-N 0 0 329.469 3.478 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000859419243 1328984996 /nfs/dbraw/zinc/98/49/96/1328984996.db2.gz LCUOXFBCEIMTKC-MRXNPFEDSA-N 0 0 342.414 3.068 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC000922776611 1322615167 /nfs/dbraw/zinc/61/51/67/1322615167.db2.gz RRKNBCDQMDLRBB-GDBMZVCRSA-N 0 0 334.322 3.439 10 10 EGCERN CC/C=C(/F)C(=O)NCc1cc(NC(=O)/C(F)=C\CC)ccc1O ZINC000923119721 1322695684 /nfs/dbraw/zinc/69/56/84/1322695684.db2.gz QVIKSBUZNAMXRS-ACFHMISVSA-N 0 0 338.354 3.474 10 10 EGCERN CC/C=C(/F)C(=O)Nc1ccc(O)c(CNC(=O)/C(F)=C/CC)c1 ZINC000923119722 1322695911 /nfs/dbraw/zinc/69/59/11/1322695911.db2.gz QVIKSBUZNAMXRS-FUJGBLOQSA-N 0 0 338.354 3.474 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)/C=C/Cl)C2)cc1 ZINC000923184141 1322706909 /nfs/dbraw/zinc/70/69/09/1322706909.db2.gz AIYXRDKRJRDBFI-LXKVQUBZSA-N 0 0 337.851 3.104 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC000931146404 1329060642 /nfs/dbraw/zinc/06/06/42/1329060642.db2.gz MFYKOIHYNNZTEP-RISCZKNCSA-N 0 0 348.340 3.008 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccccc1O ZINC000925133810 1325058926 /nfs/dbraw/zinc/05/89/26/1325058926.db2.gz DUHDZDRMNAROQQ-PZSREKOKSA-N 0 0 330.359 3.224 10 10 EGCERN CCO[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN(C)C ZINC000926964227 1327800027 /nfs/dbraw/zinc/80/00/27/1327800027.db2.gz WSBVFWPXQHKYHK-NWDGAFQWSA-N 0 0 334.382 3.028 10 10 EGCERN O=C(NCC[C@H]1OCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000927674090 1328100672 /nfs/dbraw/zinc/10/06/72/1328100672.db2.gz QWGMJOOVPMMGBF-LJQANCHMSA-N 0 0 338.407 3.122 10 10 EGCERN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C12CC(C1)C2 ZINC000861332808 1329409479 /nfs/dbraw/zinc/40/94/79/1329409479.db2.gz LFJVJZYDDVINAQ-UHFFFAOYSA-N 0 0 344.455 3.175 10 10 EGCERN CO[C@H](C(=O)NCc1ccc2cccnc2c1O)C1CCCCC1 ZINC000862025070 1329455759 /nfs/dbraw/zinc/45/57/59/1329455759.db2.gz MKXNJFUIJFAJFZ-SFHVURJKSA-N 0 0 328.412 3.152 10 10 EGCERN CC(C)(C)c1nnsc1C(=O)NCc1ccc2cccnc2c1O ZINC000862025956 1329455849 /nfs/dbraw/zinc/45/58/49/1329455849.db2.gz CRRZBRFFYWTTRE-UHFFFAOYSA-N 0 0 342.424 3.019 10 10 EGCERN Cc1cc(CNC(=O)CCCCC(N)=O)c(C)n1-c1cccc(C)c1 ZINC000863161614 1329531401 /nfs/dbraw/zinc/53/14/01/1329531401.db2.gz HHRGVDWSHCKDLO-UHFFFAOYSA-N 0 0 341.455 3.064 10 10 EGCERN C[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cncnc1 ZINC000863868026 1329586713 /nfs/dbraw/zinc/58/67/13/1329586713.db2.gz TYRNOEJXPFYPFN-INIZCTEOSA-N 0 0 338.455 3.133 10 10 EGCERN COC(=O)/C=C/c1ccc(N2Cc3nc(C)sc3C2)c([N+](=O)[O-])c1 ZINC000863982657 1329592588 /nfs/dbraw/zinc/59/25/88/1329592588.db2.gz XYMPPUKYPPWOPU-GQCTYLIASA-N 0 0 345.380 3.066 10 10 EGCERN O=C([O-])c1csc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000864522476 1329622367 /nfs/dbraw/zinc/62/23/67/1329622367.db2.gz KEMYGYTXQVPXRP-UHFFFAOYSA-N 0 0 345.468 3.164 10 10 EGCERN CN(C)c1ccc(CNC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cc1 ZINC000864573295 1329627106 /nfs/dbraw/zinc/62/71/06/1329627106.db2.gz IXPZBROHBCJWMI-SJPCQFCGSA-N 0 0 328.456 3.154 10 10 EGCERN COc1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(F)c1 ZINC000864950685 1329655045 /nfs/dbraw/zinc/65/50/45/1329655045.db2.gz YYVHODNPYSLNAS-UHFFFAOYSA-N 0 0 345.418 3.346 10 10 EGCERN C[C@H](NC(=O)[C@@]12C[C@@H]1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000865019452 1329661786 /nfs/dbraw/zinc/66/17/86/1329661786.db2.gz ULPONZYDGFFISD-KNBMTAEXSA-N 0 0 328.456 3.281 10 10 EGCERN C[C@H](N1C(=O)CN(Cc2ccccc2O)C1=O)[C@]12C[C@H]1CCCC2 ZINC000865320089 1329686018 /nfs/dbraw/zinc/68/60/18/1329686018.db2.gz SXRNKBGXUYSPNG-OHNRDTAOSA-N 0 0 328.412 3.125 10 10 EGCERN CC(C)Cc1cc(NCc2ccc(N3CCOCC3)cc2)ncn1 ZINC000865460896 1329700336 /nfs/dbraw/zinc/70/03/36/1329700336.db2.gz QIYDAJZKFMYCNI-UHFFFAOYSA-N 0 0 326.444 3.124 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2nnc(C3CC3)o2)cc1 ZINC000865895252 1329749665 /nfs/dbraw/zinc/74/96/65/1329749665.db2.gz TXTYVLZXNZNKSG-UHFFFAOYSA-N 0 0 328.416 3.065 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H](C)CC(=O)c2ccc(F)cc2)c1 ZINC000866767090 1330147658 /nfs/dbraw/zinc/14/76/58/1330147658.db2.gz JCUYYYKVWNJMQI-LBPRGKRZSA-N 0 0 345.370 3.065 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)[C@@H](c1cccnc1)C1CCCCC1 ZINC000866769644 1330147711 /nfs/dbraw/zinc/14/77/11/1330147711.db2.gz NRMPIBVOFSFPJG-LJQANCHMSA-N 0 0 340.423 3.473 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)[C@H](c1cccnc1)C1CCCCC1 ZINC000866769643 1330147812 /nfs/dbraw/zinc/14/78/12/1330147812.db2.gz NRMPIBVOFSFPJG-IBGZPJMESA-N 0 0 340.423 3.473 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2C(F)F)c1 ZINC000866765391 1330147879 /nfs/dbraw/zinc/14/78/79/1330147879.db2.gz UXINVLVFSRPLSP-SSDOTTSWSA-N 0 0 328.340 3.286 10 10 EGCERN O=C(C1CC2(CSC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866897965 1330155735 /nfs/dbraw/zinc/15/57/35/1330155735.db2.gz NDSOPJLHIGJIIX-INIZCTEOSA-N 0 0 347.480 3.043 10 10 EGCERN COc1c(C)cc(C)cc1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836232 1330222912 /nfs/dbraw/zinc/22/29/12/1330222912.db2.gz KJSGNMKAJUFQJU-ZDUSSCGKSA-N 0 0 335.425 3.057 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)[C@@H](OCC)C1CCOCC1 ZINC000868109815 1330250399 /nfs/dbraw/zinc/25/03/99/1330250399.db2.gz KQGSIOGOWRICGT-IBGZPJMESA-N 0 0 349.471 3.353 10 10 EGCERN CCOc1cccc(CCNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868424443 1330279081 /nfs/dbraw/zinc/27/90/81/1330279081.db2.gz OSKDYWWSLGXRCX-AWEZNQCLSA-N 0 0 328.412 3.394 10 10 EGCERN C[C@H](NC(=O)N[C@H]1CCOc2ccc(F)cc21)c1ccccc1O ZINC000868524992 1330289794 /nfs/dbraw/zinc/28/97/94/1330289794.db2.gz NKAOPGSUKJKZED-NHYWBVRUSA-N 0 0 330.359 3.415 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccccc1O ZINC000868676606 1330313276 /nfs/dbraw/zinc/31/32/76/1330313276.db2.gz ZKWAPSZPEJGBPP-JCKWVBRZSA-N 0 0 341.411 3.068 10 10 EGCERN C[C@@H]1C[C@]1(C(=O)NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000869147712 1330425023 /nfs/dbraw/zinc/42/50/23/1330425023.db2.gz UNPYTJBUTVJKLF-QGHHPUGFSA-N 0 0 339.819 3.030 10 10 EGCERN COC(=O)c1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1F ZINC001323416029 1387366288 /nfs/dbraw/zinc/36/62/88/1387366288.db2.gz CIPCKYAYXIXUKZ-UHFFFAOYSA-N 0 0 349.705 3.054 10 10 EGCERN Cc1ncnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C ZINC001184938611 1387566186 /nfs/dbraw/zinc/56/61/86/1387566186.db2.gz ZHGZJLKKFNQUDY-CHWSQXEVSA-N 0 0 344.434 3.458 10 10 EGCERN Cc1cc(C(=O)Nc2cc(C3CC3)nn2C)c(C)n1-c1ccccn1 ZINC001324535188 1387662204 /nfs/dbraw/zinc/66/22/04/1387662204.db2.gz BPWHKXRQVSLPPF-UHFFFAOYSA-N 0 0 335.411 3.352 10 10 EGCERN CCOc1ccc(N(CC)CC(=O)NC(=O)NC2CCCCC2)cc1 ZINC001192014595 1367664191 /nfs/dbraw/zinc/66/41/91/1367664191.db2.gz UVBZHBDVKTXSEN-UHFFFAOYSA-N 0 0 347.459 3.070 10 10 EGCERN CCOC(=O)[C@@H](Cc1ccccc1)NCc1ccc(N(C)C)c(C)c1 ZINC001196735810 1368672418 /nfs/dbraw/zinc/67/24/18/1368672418.db2.gz IAIMQRBTFOVDEZ-LJQANCHMSA-N 0 0 340.467 3.325 10 10 EGCERN CC(=O)N(C)c1ccc(NC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001199425568 1369223049 /nfs/dbraw/zinc/22/30/49/1369223049.db2.gz MVGZEYPLGOOESL-UHFFFAOYSA-N 0 0 347.802 3.350 10 10 EGCERN CO[C@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCC1 ZINC001118392576 1371172747 /nfs/dbraw/zinc/17/27/47/1371172747.db2.gz FPWWQSROIZMAQJ-MRXNPFEDSA-N 0 0 346.452 3.288 10 10 EGCERN CC(=O)c1c(F)cncc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001119935597 1371426083 /nfs/dbraw/zinc/42/60/83/1371426083.db2.gz HHJLRIDDSSYSAZ-UHFFFAOYSA-N 0 0 347.365 3.011 10 10 EGCERN c1nc2ccnc(NCc3ccc(N4CCSCC4)cc3)c2[nH]1 ZINC001120015191 1371456324 /nfs/dbraw/zinc/45/63/24/1371456324.db2.gz YEAUQOJXPGAIQT-UHFFFAOYSA-N 0 0 325.441 3.123 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(O)cc1C ZINC001123517377 1372494320 /nfs/dbraw/zinc/49/43/20/1372494320.db2.gz NBPJBLSQCZEMIZ-UHFFFAOYSA-N 0 0 326.440 3.358 10 10 EGCERN Cc1ccc(/C=C\C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cn1 ZINC001129215001 1373362253 /nfs/dbraw/zinc/36/22/53/1373362253.db2.gz RZAXQGOJPFHVTC-DAXSKMNVSA-N 0 0 327.315 3.040 10 10 EGCERN Cc1cc(CC(=O)Nc2cnc3nccn3c2)c(C)n1-c1ccccc1 ZINC001131490613 1373709669 /nfs/dbraw/zinc/70/96/69/1373709669.db2.gz SPOZZOLEGYIIDZ-UHFFFAOYSA-N 0 0 345.406 3.318 10 10 EGCERN CN1CCN(C(=O)/C=C/c2cncc(F)c2)c2ccc(Cl)cc21 ZINC001131990263 1375085032 /nfs/dbraw/zinc/08/50/32/1375085032.db2.gz FPMAOOFJMIFSOL-GORDUTHDSA-N 0 0 331.778 3.370 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2cnccn2)c1 ZINC001134932054 1376796106 /nfs/dbraw/zinc/79/61/06/1376796106.db2.gz YCNFBBAOEXAZKQ-UHFFFAOYSA-N 0 0 340.814 3.468 10 10 EGCERN Cc1ccc(OCCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001135677206 1377180887 /nfs/dbraw/zinc/18/08/87/1377180887.db2.gz XNVDUMOYXTULAE-UHFFFAOYSA-N 0 0 340.383 3.308 10 10 EGCERN CCOCc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001136205196 1377364145 /nfs/dbraw/zinc/36/41/45/1377364145.db2.gz QHMIWDQFAJMWIO-UHFFFAOYSA-N 0 0 340.383 3.316 10 10 EGCERN O=Cc1cc(F)c(C(=O)NCCCSc2nccs2)cc1F ZINC001136661507 1377413765 /nfs/dbraw/zinc/41/37/65/1377413765.db2.gz HEZKGRPWXOJEGO-UHFFFAOYSA-N 0 0 342.392 3.146 10 10 EGCERN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001137469831 1377552861 /nfs/dbraw/zinc/55/28/61/1377552861.db2.gz VYSPNKRWYNVIQM-JTQLQIEISA-N 0 0 343.404 3.379 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)nc(NC3CC3)c2)c1 ZINC001137473425 1377554029 /nfs/dbraw/zinc/55/40/29/1377554029.db2.gz JGZNRHNHFOUAHH-LBPRGKRZSA-N 0 0 341.411 3.170 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](CO)c1ccccn1 ZINC001141420294 1378322742 /nfs/dbraw/zinc/32/27/42/1378322742.db2.gz VUZDNPVQMFRGOQ-IBGZPJMESA-N 0 0 349.434 3.261 10 10 EGCERN O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)C1=CC(=O)CS1 ZINC001141480101 1378332626 /nfs/dbraw/zinc/33/26/26/1378332626.db2.gz OGOUBZHTCBMBBD-UHFFFAOYSA-N 0 0 339.376 3.353 10 10 EGCERN CN(C)c1ccccc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001141797188 1378378871 /nfs/dbraw/zinc/37/88/71/1378378871.db2.gz FSXCFFKUTNOAFX-UHFFFAOYSA-N 0 0 339.399 3.187 10 10 EGCERN CC(C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1(CO)CCCC1 ZINC001143912178 1378659500 /nfs/dbraw/zinc/65/95/00/1378659500.db2.gz SHMLVMDEOVJYBR-HNNXBMFYSA-N 0 0 346.431 3.156 10 10 EGCERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001150369435 1379539972 /nfs/dbraw/zinc/53/99/72/1379539972.db2.gz VSJZRUGRLABHOW-MAEOIBBWSA-N 0 0 326.440 3.471 10 10 EGCERN C[C@@H](NC(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccccc1O ZINC001151886153 1379810499 /nfs/dbraw/zinc/81/04/99/1379810499.db2.gz XTHOTZGXBVTWIU-GFCCVEGCSA-N 0 0 339.370 3.423 10 10 EGCERN Cc1cc([N+](=O)[O-])c(C(=O)N2Cc3cccc(O)c3C2)cc1Cl ZINC001152572722 1379951372 /nfs/dbraw/zinc/95/13/72/1379951372.db2.gz GIRPVXPYCJPVMF-UHFFFAOYSA-N 0 0 332.743 3.418 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001153879906 1380149213 /nfs/dbraw/zinc/14/92/13/1380149213.db2.gz ZEQFQFCYOKEOLN-UHFFFAOYSA-N 0 0 336.391 3.435 10 10 EGCERN O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1cc(O)ccc1O ZINC001153884685 1380149569 /nfs/dbraw/zinc/14/95/69/1380149569.db2.gz FPDRDTDVVYUHMT-AWEZNQCLSA-N 0 0 339.313 3.450 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1COCC2 ZINC001328186484 1388686431 /nfs/dbraw/zinc/68/64/31/1388686431.db2.gz VTVPTUIUZQUKLQ-UHFFFAOYSA-N 0 0 338.451 3.488 10 10 EGCERN CCOC(=O)[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001157666738 1380993839 /nfs/dbraw/zinc/99/38/39/1380993839.db2.gz OJEOSZRTDCJNGO-AWEZNQCLSA-N 0 0 346.452 3.181 10 10 EGCERN CCOC(=O)[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001157666739 1380993962 /nfs/dbraw/zinc/99/39/62/1380993962.db2.gz OJEOSZRTDCJNGO-CQSZACIVSA-N 0 0 346.452 3.181 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)C(=O)OC(C)C ZINC001158341285 1381206950 /nfs/dbraw/zinc/20/69/50/1381206950.db2.gz MJAABITYAUCFHT-INIZCTEOSA-N 0 0 342.439 3.472 10 10 EGCERN CN(C)c1ccc(CN(C(=O)Cc2ccnc(F)c2)C2CC2)cc1 ZINC001290740082 1382106775 /nfs/dbraw/zinc/10/67/75/1382106775.db2.gz PBDUWZKHGJOHDC-UHFFFAOYSA-N 0 0 327.403 3.020 10 10 EGCERN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cccc(O)c1O ZINC001292582451 1382204428 /nfs/dbraw/zinc/20/44/28/1382204428.db2.gz RPKVTDSBMFKTOA-UHFFFAOYSA-N 0 0 347.798 3.187 10 10 EGCERN CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc(C)c(O)c1O ZINC001161053486 1382284882 /nfs/dbraw/zinc/28/48/82/1382284882.db2.gz VZQIDCJNBXBXMV-UHFFFAOYSA-N 0 0 343.383 3.108 10 10 EGCERN CCCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O ZINC001294270698 1382433240 /nfs/dbraw/zinc/43/32/40/1382433240.db2.gz SNIWEDBWZIMTHD-UHFFFAOYSA-N 0 0 325.416 3.415 10 10 EGCERN COc1nc(C)cc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC001162026196 1382606988 /nfs/dbraw/zinc/60/69/88/1382606988.db2.gz KNFLPSIEKWBKFN-UHFFFAOYSA-N 0 0 326.444 3.420 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](CO)c1cccnc1 ZINC001162286472 1382721722 /nfs/dbraw/zinc/72/17/22/1382721722.db2.gz VBHLYHKDDZWFST-LJQANCHMSA-N 0 0 349.434 3.261 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)NC1(c2cccc(Cl)c2)CCC1 ZINC001162978714 1382935931 /nfs/dbraw/zinc/93/59/31/1382935931.db2.gz DQCWWZCNIXEYIZ-UHFFFAOYSA-N 0 0 331.799 3.489 10 10 EGCERN Cc1cc(CC(=O)N2CCCCC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001163760009 1383118898 /nfs/dbraw/zinc/11/88/98/1383118898.db2.gz HCSJRBATZLUOJW-FQEVSTJZSA-N 0 0 340.467 3.400 10 10 EGCERN CC[C@](C)(CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)OC ZINC001298204464 1383381209 /nfs/dbraw/zinc/38/12/09/1383381209.db2.gz XTDNPLVQTTYEDN-HXUWFJFHSA-N 0 0 342.439 3.452 10 10 EGCERN Cc1cc(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(C)n1-c1ccccn1 ZINC001328779206 1388856392 /nfs/dbraw/zinc/85/63/92/1388856392.db2.gz LYIDDLRSQVLNAN-YOWGUQMCSA-N 0 0 331.366 3.263 10 10 EGCERN CC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)c(F)c1 ZINC001299721354 1383622938 /nfs/dbraw/zinc/62/29/38/1383622938.db2.gz IEIKCTCRPULOAE-UHFFFAOYSA-N 0 0 338.338 3.212 10 10 EGCERN O=C(Cc1cc2ccccc2[nH]c1=O)NCc1cc(Cl)ccc1O ZINC001300401374 1383662737 /nfs/dbraw/zinc/66/27/37/1383662737.db2.gz SCLGFORQJDYFPZ-UHFFFAOYSA-N 0 0 342.782 3.158 10 10 EGCERN O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1O ZINC001302841619 1383770415 /nfs/dbraw/zinc/77/04/15/1383770415.db2.gz FOSQXCRIJVEEBL-PBHICJAKSA-N 0 0 347.798 3.401 10 10 EGCERN O=C(Cc1ccc(Cl)cc1Cl)NCc1c(O)cccc1O ZINC001304050383 1383825218 /nfs/dbraw/zinc/82/52/18/1383825218.db2.gz LYPKVYCRAKOYQJ-UHFFFAOYSA-N 0 0 326.179 3.264 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1C[C@H]1C1CCOCC1 ZINC001304091110 1383829020 /nfs/dbraw/zinc/82/90/20/1383829020.db2.gz XQRWKFGEYVJJFR-DLBZAZTESA-N 0 0 325.408 3.224 10 10 EGCERN C[C@H](NC(=O)N[C@@H](CO)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001312530200 1384355709 /nfs/dbraw/zinc/35/57/09/1384355709.db2.gz BAXCJHKMNWDCGZ-GOEBONIOSA-N 0 0 335.492 3.300 10 10 EGCERN COc1cc(Br)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175031701 1385183947 /nfs/dbraw/zinc/18/39/47/1385183947.db2.gz VIKYISLJIRTUHX-UHFFFAOYSA-N 0 0 348.196 3.319 10 10 EGCERN Cc1cc(C(=O)N2C3CCC2(CO)CC3)c(C)n1-c1ccc(F)cc1 ZINC001178516637 1386240172 /nfs/dbraw/zinc/24/01/72/1386240172.db2.gz UOJYLNQYNPPYDN-UHFFFAOYSA-N 0 0 342.414 3.363 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccc(Oc2ccccc2)cn1 ZINC001178910296 1386346213 /nfs/dbraw/zinc/34/62/13/1386346213.db2.gz CGTMHOHBWJRPIK-UHFFFAOYSA-N 0 0 336.347 3.215 10 10 EGCERN Cc1cc(Br)ccc1C(=O)NCc1c(O)cccc1O ZINC001178911645 1386346575 /nfs/dbraw/zinc/34/65/75/1386346575.db2.gz OKQYRJVHTFHZAD-UHFFFAOYSA-N 0 0 336.185 3.099 10 10 EGCERN O=C(CCc1ccccc1C(F)(F)F)NCc1c(O)cccc1O ZINC001178916914 1386347609 /nfs/dbraw/zinc/34/76/09/1386347609.db2.gz DUZYFCBLGXETFP-UHFFFAOYSA-N 0 0 339.313 3.366 10 10 EGCERN Cc1nc(C)c(CC(=O)NCc2c(O)ccc3ccccc32)s1 ZINC001179033119 1386383388 /nfs/dbraw/zinc/38/33/88/1386383388.db2.gz UEVVEHUCBLDQTN-UHFFFAOYSA-N 0 0 326.421 3.478 10 10 EGCERN Cc1ccc(C(=O)NCc2cnc(-c3ccccc3)s2)c(O)c1O ZINC001319949388 1386412591 /nfs/dbraw/zinc/41/25/91/1386412591.db2.gz ILPNCNZHZLVYGY-UHFFFAOYSA-N 0 0 340.404 3.460 10 10 EGCERN C[C@@H](CNc1ccccc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001182919796 1387246843 /nfs/dbraw/zinc/24/68/43/1387246843.db2.gz QJTOSNXJZVZIKA-LBPRGKRZSA-N 0 0 325.372 3.079 10 10 EGCERN Cc1oc(C[N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001339118325 1389909243 /nfs/dbraw/zinc/90/92/43/1389909243.db2.gz PBMGJQPBGOOQSV-AATRIKPKSA-N 0 0 328.412 3.497 10 10 EGCERN c1cc(NCc2ccc(N3CCCC3)cc2)n([C@@H]2CCCOC2)n1 ZINC001343317929 1390707140 /nfs/dbraw/zinc/70/71/40/1390707140.db2.gz FSFONZVIGXHCTG-GOSISDBHSA-N 0 0 326.444 3.447 10 10 EGCERN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CCCC2)cc1 ZINC001347177560 1391019260 /nfs/dbraw/zinc/01/92/60/1391019260.db2.gz AHYZGERFOJSPFI-CJNGLKHVSA-N 0 0 328.378 3.438 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001351162826 1391606526 /nfs/dbraw/zinc/60/65/26/1391606526.db2.gz LHKIMVOCIBOVEL-VQTJNVASSA-N 0 0 335.451 3.444 10 10 EGCERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351671863 1391668049 /nfs/dbraw/zinc/66/80/49/1391668049.db2.gz AZPLFAUILRRPLG-OLMMMNRUSA-N 0 0 330.472 3.305 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc2cnccc21 ZINC001353246988 1391973242 /nfs/dbraw/zinc/97/32/42/1391973242.db2.gz XBGYJQIRIYAVCE-UHFFFAOYSA-N 0 0 333.435 3.468 10 10 EGCERN Cc1nc(C)c(Cn2c(C)nnc2N(C)Cc2ccccc2O)s1 ZINC001492659204 1396323713 /nfs/dbraw/zinc/32/37/13/1396323713.db2.gz UMYXCNICQZSTNH-UHFFFAOYSA-N 0 0 343.456 3.050 10 10 EGCERN C[C@@H]1CCCN1c1nnc(C2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001708089471 1417394633 /nfs/dbraw/zinc/39/46/33/1417394633.db2.gz AYLZIDPKXAXHKG-CYBMUJFWSA-N 0 0 343.450 3.398 10 10 EGCERN CCc1nnc(N2C[C@H]3CCC[C@@H]32)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709068413 1417420462 /nfs/dbraw/zinc/42/04/62/1417420462.db2.gz YAXUYEFHEKNHDI-ZBFHGGJFSA-N 0 0 343.450 3.083 10 10 EGCERN C[C@H]1C[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001752041294 1440134852 /nfs/dbraw/zinc/13/48/52/1440134852.db2.gz VYJJBQGXOKRQRO-WMLDXEAASA-N 0 0 349.438 3.338 10 10 EGCERN Cc1cc(C(=O)OCC(=O)N(C)C(C)C)c(C)n1-c1cccc(C)c1 ZINC000049581215 214019726 /nfs/dbraw/zinc/01/97/26/214019726.db2.gz VMJIYRGYHDSKHS-UHFFFAOYSA-N 0 0 342.439 3.426 10 10 EGCERN Nc1ccc(CCNC(=O)c2sccc2Br)cc1 ZINC000104296467 219371585 /nfs/dbraw/zinc/37/15/85/219371585.db2.gz PWDNZSAROFXPCB-UHFFFAOYSA-N 0 0 325.231 3.065 10 10 EGCERN Cc1nn(C)cc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000035677850 213045397 /nfs/dbraw/zinc/04/53/97/213045397.db2.gz RBGJHETUAJPMRB-GDNBJRDFSA-N 0 0 343.477 3.172 10 10 EGCERN CCn1nccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccco1 ZINC000035678294 213045080 /nfs/dbraw/zinc/04/50/80/213045080.db2.gz NLIZDNDSXZDNPD-SSZFMOIBSA-N 0 0 332.363 3.331 10 10 EGCERN Nc1ccc(CCS(=O)(=O)c2ccccc2Br)cc1 ZINC000035677482 213044753 /nfs/dbraw/zinc/04/47/53/213044753.db2.gz QDYWQGMRCISFGL-UHFFFAOYSA-N 0 0 340.242 3.048 10 10 EGCERN O=C(c1cccc(O)c1O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000192986458 257952709 /nfs/dbraw/zinc/95/27/09/257952709.db2.gz OJGBLKUHRAXFJL-UHFFFAOYSA-N 0 0 349.333 3.060 10 10 EGCERN CC(C)C(=O)c1ccc([C@@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000239869302 455262555 /nfs/dbraw/zinc/26/25/55/455262555.db2.gz CYAUGAJMAFPIBR-CYBMUJFWSA-N 0 0 341.407 3.356 10 10 EGCERN Cc1cc(C(=O)OCC(=O)NC(C)(C)C)c(C)n1-c1ccc(F)cc1 ZINC000003349701 452761047 /nfs/dbraw/zinc/76/10/47/452761047.db2.gz QNTJAFRUZTXOLJ-UHFFFAOYSA-N 0 0 346.402 3.305 10 10 EGCERN Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000032914247 453896552 /nfs/dbraw/zinc/89/65/52/453896552.db2.gz JQFXDMMZFMVMOL-UHFFFAOYSA-N 0 0 335.407 3.041 10 10 EGCERN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000058268747 454176688 /nfs/dbraw/zinc/17/66/88/454176688.db2.gz ZGSIRPXWLSXNAX-HXUWFJFHSA-N 0 0 337.423 3.459 10 10 EGCERN Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000095949106 454236453 /nfs/dbraw/zinc/23/64/53/454236453.db2.gz GWVPGXWTICJILE-UHFFFAOYSA-N 0 0 349.434 3.384 10 10 EGCERN COc1cc(C)c(NC(=O)N(C)Cc2ccccc2O)cc1OC ZINC000047352106 454361653 /nfs/dbraw/zinc/36/16/53/454361653.db2.gz MJDWKLVEBJCQLZ-UHFFFAOYSA-N 0 0 330.384 3.382 10 10 EGCERN CCCOc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c(O)c1 ZINC000184803316 455450098 /nfs/dbraw/zinc/45/00/98/455450098.db2.gz FPURNGVYJDCFCK-UHFFFAOYSA-N 0 0 341.455 3.288 10 10 EGCERN CCCn1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cccnc21 ZINC000065216842 454540021 /nfs/dbraw/zinc/54/00/21/454540021.db2.gz REAJDICQVDRFQZ-UHFFFAOYSA-N 0 0 336.439 3.442 10 10 EGCERN COc1ccc(N2CCC(NC(=O)Cc3ccc(C)s3)CC2)cc1 ZINC000065530802 454585029 /nfs/dbraw/zinc/58/50/29/454585029.db2.gz AWLQYJGAGJANDN-UHFFFAOYSA-N 0 0 344.480 3.393 10 10 EGCERN CC[C@H](N[C@H]1CCCn2nc(COC)nc21)c1ccc(N(C)C)cc1 ZINC000125268369 454808753 /nfs/dbraw/zinc/80/87/53/454808753.db2.gz HQTGFRHVSJWNDK-IRXDYDNUSA-N 0 0 343.475 3.066 10 10 EGCERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000177684912 454891922 /nfs/dbraw/zinc/89/19/22/454891922.db2.gz FKULXMGMNHBNNT-SFHVURJKSA-N 0 0 349.438 3.259 10 10 EGCERN Cc1nc([C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2F)no1 ZINC000114773891 454977990 /nfs/dbraw/zinc/97/79/90/454977990.db2.gz VGOYHFZDGZYDHX-SFHVURJKSA-N 0 0 339.370 3.331 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000170896181 454996271 /nfs/dbraw/zinc/99/62/71/454996271.db2.gz JEOWBWHNKPHMKN-LJQANCHMSA-N 0 0 349.438 3.163 10 10 EGCERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000172193394 455134035 /nfs/dbraw/zinc/13/40/35/455134035.db2.gz DFMKQVROCQVLSE-MRXNPFEDSA-N 0 0 345.487 3.243 10 10 EGCERN COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(OC)c1OC ZINC000263961505 455173767 /nfs/dbraw/zinc/17/37/67/455173767.db2.gz QSXDPQAMOCZPLU-UHFFFAOYSA-N 0 0 346.383 3.082 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)/C=C/c3cnccn3)cc2)CC1 ZINC000264421647 455210438 /nfs/dbraw/zinc/21/04/38/455210438.db2.gz AEVGSRBKJDJPDA-QPJJXVBHSA-N 0 0 336.439 3.043 10 10 EGCERN Cc1cc(C(=O)NCC2(C)OCCCO2)c(C)n1-c1ccc(F)cc1 ZINC000191105995 455443816 /nfs/dbraw/zinc/44/38/16/455443816.db2.gz HBGCOTRXZXHLEK-UHFFFAOYSA-N 0 0 346.402 3.116 10 10 EGCERN COc1cc(N(C)C[C@@H](O)CCc2ccccc2)cc(OC)c1OC ZINC000182411250 455508730 /nfs/dbraw/zinc/50/87/30/455508730.db2.gz COXWPABDCCRTBK-KRWDZBQOSA-N 0 0 345.439 3.142 10 10 EGCERN COc1ccc(O)c(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000182673577 455566066 /nfs/dbraw/zinc/56/60/66/455566066.db2.gz UKILGUOJMPDPIL-MRXNPFEDSA-N 0 0 345.786 3.316 10 10 EGCERN CC1CCN(c2ccc(CNc3nc(C(N)=O)cs3)cc2)CC1 ZINC000292522288 455686981 /nfs/dbraw/zinc/68/69/81/455686981.db2.gz PFASENMPDKCCAN-UHFFFAOYSA-N 0 0 330.457 3.090 10 10 EGCERN COc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294202595 455807776 /nfs/dbraw/zinc/80/77/76/455807776.db2.gz KVTLEIMUNNUOHZ-MRXNPFEDSA-N 0 0 325.767 3.017 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000269356979 455842084 /nfs/dbraw/zinc/84/20/84/455842084.db2.gz LPSZLOVRLXUWGK-UHFFFAOYSA-N 0 0 332.473 3.135 10 10 EGCERN COc1cc(C)cc(NC(=O)NCc2cccc(OC)c2O)c1C ZINC000279006780 455856167 /nfs/dbraw/zinc/85/61/67/455856167.db2.gz ULPQDBJYKHRARJ-UHFFFAOYSA-N 0 0 330.384 3.348 10 10 EGCERN CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187777278 455950950 /nfs/dbraw/zinc/95/09/50/455950950.db2.gz RSAPOZOUMYZCAR-WDEREUQCSA-N 0 0 336.386 3.051 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2CCN(c3ccccc3)CC2)c1 ZINC000280599803 456010049 /nfs/dbraw/zinc/01/00/49/456010049.db2.gz NZRRQBYZPYDGPP-UHFFFAOYSA-N 0 0 341.411 3.307 10 10 EGCERN COc1ccc(N2CCN(c3ccnc4cc(F)cnc43)CC2)cc1 ZINC000286994141 456059160 /nfs/dbraw/zinc/05/91/60/456059160.db2.gz OQRGGCLWSOAVIU-UHFFFAOYSA-N 0 0 338.386 3.104 10 10 EGCERN COc1cc(OC)c2ncnc(NCc3ccc(N(C)C)cc3)c2c1 ZINC000302702499 456379849 /nfs/dbraw/zinc/37/98/49/456379849.db2.gz BMTSJYNAAAJOGF-UHFFFAOYSA-N 0 0 338.411 3.325 10 10 EGCERN CCN(CC)c1ccc(CN2C(=O)[C@@H]3[C@H]4CCC[C@@H]4CN3C2=O)cc1 ZINC000277473074 456836738 /nfs/dbraw/zinc/83/67/38/456836738.db2.gz UZSUOHYDLIBMMJ-NJAFHUGGSA-N 0 0 341.455 3.096 10 10 EGCERN O=C(NCCc1cn[nH]c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000292047069 456840389 /nfs/dbraw/zinc/84/03/89/456840389.db2.gz GHONLJRFEWCSGU-UHFFFAOYSA-N 0 0 342.443 3.202 10 10 EGCERN C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(F)ccc1O ZINC000373864099 457376039 /nfs/dbraw/zinc/37/60/39/457376039.db2.gz USDMNIBKLUJIES-LZWOXQAQSA-N 0 0 334.435 3.363 10 10 EGCERN COc1ccc2c(c1)CCCCN2Cc1nnc(C2CCC2)n1C ZINC000367795754 457981739 /nfs/dbraw/zinc/98/17/39/457981739.db2.gz PNNXMRFRFAUJIA-UHFFFAOYSA-N 0 0 326.444 3.434 10 10 EGCERN CN(C(=O)c1c[nH]cc1-c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000428028375 458068134 /nfs/dbraw/zinc/06/81/34/458068134.db2.gz SNFFDWLVKPFGIB-UHFFFAOYSA-N 0 0 332.766 3.484 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(C)(C)C)cn1 ZINC000421514173 458415654 /nfs/dbraw/zinc/41/56/54/458415654.db2.gz VNUXPLHFGRPMRR-UHFFFAOYSA-N 0 0 339.439 3.484 10 10 EGCERN C[C@@H]1Cc2cccc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2O1 ZINC000450046017 458438036 /nfs/dbraw/zinc/43/80/36/458438036.db2.gz HRTKCERKEVZHPP-CYBMUJFWSA-N 0 0 338.407 3.115 10 10 EGCERN CC(=O)[C@H](C)CCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000571765207 459573204 /nfs/dbraw/zinc/57/32/04/459573204.db2.gz VYLGHLQHJHVCTI-CQSZACIVSA-N 0 0 332.444 3.264 10 10 EGCERN Cc1cccc(COCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000622818058 460322815 /nfs/dbraw/zinc/32/28/15/460322815.db2.gz ZCCJNAYCRPGQDI-UHFFFAOYSA-N 0 0 340.423 3.003 10 10 EGCERN CCCOCCOC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000730694509 575011195 /nfs/dbraw/zinc/01/11/95/575011195.db2.gz DJGXWZBINFGTSC-UHFFFAOYSA-N 0 0 333.428 3.488 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H](C)n2nc(C)cc2C)cc1F ZINC000731345575 575067137 /nfs/dbraw/zinc/06/71/37/575067137.db2.gz BUYKJEBBIRYUMY-OAHLLOKOSA-N 0 0 346.450 3.363 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Nc2c(C)nn(C)c2C)cc1F ZINC000731404469 575072244 /nfs/dbraw/zinc/07/22/44/575072244.db2.gz MQOWDDXMNMUDRT-UHFFFAOYSA-N 0 0 347.438 3.344 10 10 EGCERN O=C(NCc1cccc(COC2CCOCC2)c1)C1=CC(=O)CS1 ZINC000732305807 575253963 /nfs/dbraw/zinc/25/39/63/575253963.db2.gz CUDFWJQYUHRHQW-UHFFFAOYSA-N 0 0 347.436 3.079 10 10 EGCERN COc1cccc(C[C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000732989434 575299285 /nfs/dbraw/zinc/29/92/85/575299285.db2.gz IMZMPPLWNUPMQG-HNNXBMFYSA-N 0 0 341.455 3.192 10 10 EGCERN COC(=O)/C=C/c1ccc(N(C)C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000733189003 575318694 /nfs/dbraw/zinc/31/86/94/575318694.db2.gz VFUDEWKJMDRWAM-ONNFQVAWSA-N 0 0 330.384 3.406 10 10 EGCERN Oc1ccc(-c2ccccc2)cc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000735407792 575657822 /nfs/dbraw/zinc/65/78/22/575657822.db2.gz PUJITYSUXNGYQY-UHFFFAOYSA-N 0 0 335.411 3.131 10 10 EGCERN COC[C@@H](O)CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000735566631 575682219 /nfs/dbraw/zinc/68/22/19/575682219.db2.gz ZGJRMGABUYYLNO-INIZCTEOSA-N 0 0 328.372 3.231 10 10 EGCERN OCCOCCN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000739914413 576518879 /nfs/dbraw/zinc/51/88/79/576518879.db2.gz HYGKFCKMEZYVRR-UHFFFAOYSA-N 0 0 327.424 3.027 10 10 EGCERN CO[C@@H](C)CN(C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC000741082863 576653987 /nfs/dbraw/zinc/65/39/87/576653987.db2.gz PHQVSRMPMSBWLS-HNNXBMFYSA-N 0 0 333.476 3.024 10 10 EGCERN Cc1cc(C(=O)Cn2ccsc2=O)c(C)n1-c1ccc(F)cc1 ZINC000742454764 576785470 /nfs/dbraw/zinc/78/54/70/576785470.db2.gz SUDGFAWAKABXOG-UHFFFAOYSA-N 0 0 330.384 3.339 10 10 EGCERN Cc1cc(CCNC(=O)N[C@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000743691929 576814764 /nfs/dbraw/zinc/81/47/64/576814764.db2.gz VWMLYAQZCOMLKE-KRWDZBQOSA-N 0 0 343.496 3.441 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000151981981 1293947687 /nfs/dbraw/zinc/94/76/87/1293947687.db2.gz DCLXSZHLAGMBCM-HNNXBMFYSA-N 0 0 342.414 3.287 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCC(C3CCOCC3)CC2)cc1 ZINC000162172670 1294310001 /nfs/dbraw/zinc/31/00/01/1294310001.db2.gz BLGVTOCDXXMFJM-UHFFFAOYSA-N 0 0 345.487 3.101 10 10 EGCERN COc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cn1 ZINC000171131100 1294395674 /nfs/dbraw/zinc/39/56/74/1294395674.db2.gz ACDAEBLBLBOFHU-LCYFTJDESA-N 0 0 328.418 3.496 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000173579570 1294466443 /nfs/dbraw/zinc/46/64/43/1294466443.db2.gz AYKUROAVFXWTSW-KBPBESRZSA-N 0 0 333.334 3.099 10 10 EGCERN COc1cc(N(C)Cc2cnc3c(C)cccn23)cc(OC)c1OC ZINC000180758213 1294913368 /nfs/dbraw/zinc/91/33/68/1294913368.db2.gz FPZGVDPWOPPRCZ-UHFFFAOYSA-N 0 0 341.411 3.305 10 10 EGCERN CCCc1c(C(=O)N2Cc3cccc(O)c3C2)[nH]c(C)c1C(C)=O ZINC000871201186 1296269808 /nfs/dbraw/zinc/26/98/08/1296269808.db2.gz RJCQHBOYPFBOAG-UHFFFAOYSA-N 0 0 326.396 3.340 10 10 EGCERN CC(C)(C)OC(=O)NC1(C(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000871201144 1296270484 /nfs/dbraw/zinc/27/04/84/1296270484.db2.gz PWYIAPKVNSSKSD-UHFFFAOYSA-N 0 0 346.427 3.072 10 10 EGCERN C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098234 1298236173 /nfs/dbraw/zinc/23/61/73/1298236173.db2.gz FQFNTDLAHPWUGP-UWVGGRQHSA-N 0 0 347.684 3.367 10 10 EGCERN C[NH+](C)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708140963 1298238330 /nfs/dbraw/zinc/23/83/30/1298238330.db2.gz PWBZPNYCBCPNRQ-UHFFFAOYSA-N 0 0 347.684 3.334 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000876165574 1298616871 /nfs/dbraw/zinc/61/68/71/1298616871.db2.gz XPMBGWBLJSTXFT-ROUUACIJSA-N 0 0 346.471 3.377 10 10 EGCERN COc1cccc(O)c1CNc1cccc([C@H]2CCCC(=O)N2)c1 ZINC000886374819 1303451642 /nfs/dbraw/zinc/45/16/42/1303451642.db2.gz NNMWAILEMIEQJN-MRXNPFEDSA-N 0 0 326.396 3.354 10 10 EGCERN CCOC(=O)CCC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894075802 1306204083 /nfs/dbraw/zinc/20/40/83/1306204083.db2.gz KLMSCPDFVMUWAD-UHFFFAOYSA-N 0 0 327.371 3.226 10 10 EGCERN COc1cc(OC)c(C[NH2+]Cc2cc(C)cc(OC)c2O)c(OC)c1 ZINC000894192128 1306269558 /nfs/dbraw/zinc/26/95/58/1306269558.db2.gz XXUZBLILTWACAG-UHFFFAOYSA-N 0 0 347.411 3.025 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000895535582 1309389135 /nfs/dbraw/zinc/38/91/35/1309389135.db2.gz AKKLLZGDIZEEJT-ZDUSSCGKSA-N 0 0 343.826 3.250 10 10 EGCERN CC(C)[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897303290 1310280678 /nfs/dbraw/zinc/28/06/78/1310280678.db2.gz JGBGULHDLAFMRZ-FZMZJTMJSA-N 0 0 335.425 3.246 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000897731153 1310447795 /nfs/dbraw/zinc/44/77/95/1310447795.db2.gz VEAMEYSHWUIKED-GFCCVEGCSA-N 0 0 343.408 3.403 10 10 EGCERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCCO1 ZINC000898438304 1310734985 /nfs/dbraw/zinc/73/49/85/1310734985.db2.gz FJRSVEIHWLKIGY-RISCZKNCSA-N 0 0 335.425 3.390 10 10 EGCERN C[C@H]1COC2(CCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898673275 1310820735 /nfs/dbraw/zinc/82/07/35/1310820735.db2.gz OLXZQSYBYWMMAY-JTQLQIEISA-N 0 0 333.409 3.096 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](c2nccs2)C1 ZINC000899205702 1310980895 /nfs/dbraw/zinc/98/08/95/1310980895.db2.gz CDYBOTVWILIRPD-VIFPVBQESA-N 0 0 346.433 3.399 10 10 EGCERN C[C@H](NC(=O)c1cn2c(n1)CC[C@@H](C)C2)c1ccc(N(C)C)cc1 ZINC000857950659 1328637869 /nfs/dbraw/zinc/63/78/69/1328637869.db2.gz JWHKZYZTEJNBKW-KGLIPLIRSA-N 0 0 326.444 3.022 10 10 EGCERN Cc1cc(CC(=O)N[C@@H]2CCn3cncc32)c(C)n1-c1ccccc1 ZINC000857976141 1328645413 /nfs/dbraw/zinc/64/54/13/1328645413.db2.gz YHAJLLCCKZQIJZ-GOSISDBHSA-N 0 0 334.423 3.094 10 10 EGCERN C[C@]1(Br)C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858452356 1328766017 /nfs/dbraw/zinc/76/60/17/1328766017.db2.gz LANUSQXJSXVEAW-HOCLYGCPSA-N 0 0 337.261 3.077 10 10 EGCERN CC1(C)C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C(C)(C)O1 ZINC000858451779 1328766280 /nfs/dbraw/zinc/76/62/80/1328766280.db2.gz BEHHGZKJFGGCGW-QGZVFWFLSA-N 0 0 330.472 3.497 10 10 EGCERN CC[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858522609 1328787794 /nfs/dbraw/zinc/78/77/94/1328787794.db2.gz GUJHPUCTKHVNRK-FZMZJTMJSA-N 0 0 333.259 3.070 10 10 EGCERN Cc1cc(CN2CCN(C(=O)C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000915832954 1319545288 /nfs/dbraw/zinc/54/52/88/1319545288.db2.gz ODJDSEMWRSHUEM-UHFFFAOYSA-N 0 0 332.488 3.298 10 10 EGCERN CC(C)(C)c1csc(CNC(=O)NCc2c(O)cccc2F)n1 ZINC000916992387 1319733255 /nfs/dbraw/zinc/73/32/55/1319733255.db2.gz IFPKGMSRBMGMBP-UHFFFAOYSA-N 0 0 337.420 3.285 10 10 EGCERN C[C@H](NC(=O)C[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930743821 1328954694 /nfs/dbraw/zinc/95/46/94/1328954694.db2.gz GDSRCLFVOIWQMH-DLBZAZTESA-N 0 0 328.456 3.447 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000859419240 1328985120 /nfs/dbraw/zinc/98/51/20/1328985120.db2.gz LCUOXFBCEIMTKC-INIZCTEOSA-N 0 0 342.414 3.068 10 10 EGCERN O=C(COC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(O)c(O)c1 ZINC000860150879 1329160475 /nfs/dbraw/zinc/16/04/75/1329160475.db2.gz IBDNNOWYTJOCGY-CABCVRRESA-N 0 0 344.338 3.157 10 10 EGCERN C[C@@H](NC(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926296317 1325506761 /nfs/dbraw/zinc/50/67/61/1325506761.db2.gz WJSFOLTZEJHMPQ-UHIISALHSA-N 0 0 346.349 3.252 10 10 EGCERN C[C@@H]([NH2+]CCOC1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000927078152 1327848116 /nfs/dbraw/zinc/84/81/16/1327848116.db2.gz GDLHPBMWPYCLDL-LLVKDONJSA-N 0 0 333.350 3.257 10 10 EGCERN C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927145212 1327889725 /nfs/dbraw/zinc/88/97/25/1327889725.db2.gz KBXKXTGBPXWWIC-BDAKNGLRSA-N 0 0 341.242 3.036 10 10 EGCERN O=C(NCC[C@@H]1CCC2(CCC2)O1)NCc1cc(Cl)ccc1O ZINC000927738566 1328126260 /nfs/dbraw/zinc/12/62/60/1328126260.db2.gz JKLRTJBZWPAVDO-AWEZNQCLSA-N 0 0 338.835 3.337 10 10 EGCERN CC(C)(C(=O)NCc1ccc2cccnc2c1O)C1CCC(O)CC1 ZINC000862026745 1329455778 /nfs/dbraw/zinc/45/57/78/1329455778.db2.gz YZUAYWFFVJZPRC-UHFFFAOYSA-N 0 0 342.439 3.134 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC12CCSCC2 ZINC000862026403 1329455868 /nfs/dbraw/zinc/45/58/68/1329455868.db2.gz NDXKERSSPKFKPL-CQSZACIVSA-N 0 0 328.437 3.090 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(NCC2CC2)nc1 ZINC000862025910 1329455884 /nfs/dbraw/zinc/45/58/84/1329455884.db2.gz BYLQCCZHFQIJDX-UHFFFAOYSA-N 0 0 348.406 3.087 10 10 EGCERN COc1cc(O)c(CN[C@@H](c2nccs2)C(F)(F)F)cc1OC ZINC000862432294 1329486336 /nfs/dbraw/zinc/48/63/36/1329486336.db2.gz YCKJVAVHEITQEO-LBPRGKRZSA-N 0 0 348.346 3.259 10 10 EGCERN CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000863542016 1329562034 /nfs/dbraw/zinc/56/20/34/1329562034.db2.gz DGIHAHIJCXHNDT-AQUOVQTQSA-N 0 0 331.229 3.085 10 10 EGCERN COc1cnc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000865032389 1329663277 /nfs/dbraw/zinc/66/32/77/1329663277.db2.gz ZLFGPIVMOGGNTR-UHFFFAOYSA-N 0 0 343.402 3.150 10 10 EGCERN Cc1scc(CN2C(=O)CN(Cc3ccccc3O)C2=O)c1C ZINC000865315378 1329685798 /nfs/dbraw/zinc/68/57/98/1329685798.db2.gz MLAHBQBMBYLDPX-UHFFFAOYSA-N 0 0 330.409 3.035 10 10 EGCERN C[C@H]1O[C@@H](C)C[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000865604088 1329718859 /nfs/dbraw/zinc/71/88/59/1329718859.db2.gz REMQQLVWHDVKDN-FRQCXROJSA-N 0 0 330.472 3.353 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000865904696 1329750700 /nfs/dbraw/zinc/75/07/00/1329750700.db2.gz QMZYVTPHWGTBCR-UHFFFAOYSA-N 0 0 332.835 3.245 10 10 EGCERN CCOC(=O)c1cnc2nc(C)ccc2c1N1Cc2cccc(O)c2C1 ZINC000866119732 1330067611 /nfs/dbraw/zinc/06/76/11/1330067611.db2.gz RYHJURCGHZNBNX-UHFFFAOYSA-N 0 0 349.390 3.341 10 10 EGCERN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866213176 1330079359 /nfs/dbraw/zinc/07/93/59/1330079359.db2.gz NFJXRURUAGZZAR-HZPDHXFCSA-N 0 0 348.462 3.085 10 10 EGCERN O=C(NCc1ccccc1O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000866755936 1330147221 /nfs/dbraw/zinc/14/72/21/1330147221.db2.gz OVPPJLZGORJRSF-UHFFFAOYSA-N 0 0 326.352 3.039 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1conc1C1CCCC1 ZINC000867301970 1330192505 /nfs/dbraw/zinc/19/25/05/1330192505.db2.gz IFKZQEZVBOXFSK-NSHDSACASA-N 0 0 330.384 3.104 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000868088813 1330247933 /nfs/dbraw/zinc/24/79/33/1330247933.db2.gz HLQZDUUHZFEXEZ-AWEZNQCLSA-N 0 0 342.443 3.194 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCn3nccc32)cc1 ZINC000868111766 1330250730 /nfs/dbraw/zinc/25/07/30/1330250730.db2.gz HPHXMJWZDSGEND-QGZVFWFLSA-N 0 0 341.459 3.064 10 10 EGCERN C[C@H](NC(=O)NCC[C@](C)(O)c1ccccc1)c1ccccc1O ZINC000868524433 1330289663 /nfs/dbraw/zinc/28/96/63/1330289663.db2.gz YGXIOLVUCKBYNW-LIRRHRJNSA-N 0 0 328.412 3.050 10 10 EGCERN COc1ccc(N2CCC(NC(=O)N[C@H]3CCCC34CC4)CC2)cc1 ZINC000868845303 1330359010 /nfs/dbraw/zinc/35/90/10/1330359010.db2.gz SJKBHBVAPGLPBJ-SFHVURJKSA-N 0 0 343.471 3.296 10 10 EGCERN O=C(COC(=O)c1cccc(O)c1O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000869476679 1330507859 /nfs/dbraw/zinc/50/78/59/1330507859.db2.gz IXYUFOXNAWLNSM-AOOOYVTPSA-N 0 0 346.301 3.192 10 10 EGCERN Clc1ccc(C2=CCN(c3nc(Cl)nc4nc[nH]c43)CC2)cn1 ZINC001185967812 1387836986 /nfs/dbraw/zinc/83/69/86/1387836986.db2.gz CJAQAPLMEBMGTH-UHFFFAOYSA-N 0 0 347.209 3.348 10 10 EGCERN COc1ccc(N(CCc2ccccc2)CC(=O)N(C)C2CC2)cc1 ZINC001191890741 1367626796 /nfs/dbraw/zinc/62/67/96/1367626796.db2.gz AWKJQQRAVYTPDJ-UHFFFAOYSA-N 0 0 338.451 3.365 10 10 EGCERN Clc1cc2c(nn1)CN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001118199706 1371145210 /nfs/dbraw/zinc/14/52/10/1371145210.db2.gz PUTVISADVPFMAH-UHFFFAOYSA-N 0 0 328.847 3.289 10 10 EGCERN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1(C)CC1 ZINC001123663849 1372547726 /nfs/dbraw/zinc/54/77/26/1372547726.db2.gz ICYQNHDOEDTDNO-GOEBONIOSA-N 0 0 332.444 3.271 10 10 EGCERN CC(=O)c1cc(C(=O)NCc2cccc(O)c2O)ccc1OC(C)C ZINC001123889783 1372618507 /nfs/dbraw/zinc/61/85/07/1372618507.db2.gz QFEADBFKIFRIGV-UHFFFAOYSA-N 0 0 343.379 3.018 10 10 EGCERN C[C@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 ZINC001124549090 1372710513 /nfs/dbraw/zinc/71/05/13/1372710513.db2.gz BVKIMCGSDPIWSH-VQIMIIECSA-N 0 0 330.472 3.450 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001124550101 1372711264 /nfs/dbraw/zinc/71/12/64/1372711264.db2.gz YNENFWGIAKNXPY-WBVHZDCISA-N 0 0 328.456 3.251 10 10 EGCERN C[C@H](NC(=O)c1ncc2c(F)cccn21)c1ccc(N(C)C)cc1 ZINC001128248124 1373240955 /nfs/dbraw/zinc/24/09/55/1373240955.db2.gz XHVDUBCFVFHRJS-LBPRGKRZSA-N 0 0 326.375 3.030 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)[C@H](F)Cc2ccccc2)cc1 ZINC001130745070 1373587363 /nfs/dbraw/zinc/58/73/63/1373587363.db2.gz PCGZFFXTJZWJJS-LJQANCHMSA-N 0 0 344.430 3.171 10 10 EGCERN CC/C(C)=C(\C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032167 1375107251 /nfs/dbraw/zinc/10/72/51/1375107251.db2.gz MPSPRZKQGSIKNV-CCEZHUSRSA-N 0 0 332.444 3.099 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](C)CC3)C2)cc1 ZINC001230859227 1376166169 /nfs/dbraw/zinc/16/61/69/1376166169.db2.gz URZQIJPCPDSQMM-CVEARBPZSA-N 0 0 331.460 3.106 10 10 EGCERN CC[S@@](C)(=O)=NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001133771699 1376201932 /nfs/dbraw/zinc/20/19/32/1376201932.db2.gz MUMBTLRGCLHXMH-XMMPIXPASA-N 0 0 348.468 3.173 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2ccco2)c1 ZINC001135464738 1377105784 /nfs/dbraw/zinc/10/57/84/1377105784.db2.gz QMGAGFHJUGDVIZ-UHFFFAOYSA-N 0 0 336.391 3.472 10 10 EGCERN COc1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001135527154 1377129731 /nfs/dbraw/zinc/12/97/31/1377129731.db2.gz TTXPGLPOSURYCE-UHFFFAOYSA-N 0 0 326.356 3.130 10 10 EGCERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001136235847 1377367167 /nfs/dbraw/zinc/36/71/67/1377367167.db2.gz DPKOEFUSBWLYHL-NSHDSACASA-N 0 0 342.420 3.470 10 10 EGCERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001136637032 1377411191 /nfs/dbraw/zinc/41/11/91/1377411191.db2.gz XTKYGNGIBNPUBM-AWEZNQCLSA-N 0 0 325.408 3.468 10 10 EGCERN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136801419 1377424656 /nfs/dbraw/zinc/42/46/56/1377424656.db2.gz SIIZOCNLKXZXGE-HIFRSBDPSA-N 0 0 346.431 3.420 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1c(C(F)(F)F)nc2ccccn21 ZINC001137345629 1377527696 /nfs/dbraw/zinc/52/76/96/1377527696.db2.gz QCMUESJGMJPKJH-UHFFFAOYSA-N 0 0 349.312 3.331 10 10 EGCERN CC[C@@H](C)[C@H](O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137355603 1377531825 /nfs/dbraw/zinc/53/18/25/1377531825.db2.gz NTSBXGXCRLARKI-AUUYWEPGSA-N 0 0 328.456 3.160 10 10 EGCERN CCC[C@@H](CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)OC ZINC001141372393 1378313407 /nfs/dbraw/zinc/31/34/07/1378313407.db2.gz JROJOPDSCYHZBX-IBGZPJMESA-N 0 0 342.439 3.452 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cccc(OC(F)F)c1 ZINC001142728536 1378482830 /nfs/dbraw/zinc/48/28/30/1378482830.db2.gz WXYGLXWEGRYJRQ-UHFFFAOYSA-N 0 0 344.317 3.472 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(-c2ccccn2)nc1 ZINC001146231259 1378800314 /nfs/dbraw/zinc/80/03/14/1378800314.db2.gz DJXIYNGTJNZOJJ-UHFFFAOYSA-N 0 0 339.782 3.433 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1ccc(OC(F)F)cc1F ZINC001149872189 1379457873 /nfs/dbraw/zinc/45/78/73/1379457873.db2.gz SIPCYPAMZUOGFF-UHFFFAOYSA-N 0 0 325.286 3.405 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3c[nH]cn3)cc2)c1 ZINC001150544023 1379565071 /nfs/dbraw/zinc/56/50/71/1379565071.db2.gz XLLNZZFRIDHAKZ-GFCCVEGCSA-N 0 0 337.379 3.282 10 10 EGCERN COC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001152877986 1379989822 /nfs/dbraw/zinc/98/98/22/1379989822.db2.gz BQHNLOFIMCJQKC-CQSZACIVSA-N 0 0 342.439 3.392 10 10 EGCERN Cc1cc(C(=O)N[C@H]2C[C@H](O)C2(C)C)c(C)n1-c1ccccc1C ZINC001154846993 1380364071 /nfs/dbraw/zinc/36/40/71/1380364071.db2.gz HJPOKYBMJPFXEX-ROUUACIJSA-N 0 0 326.440 3.292 10 10 EGCERN CC1=NO[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC001155725985 1380487423 /nfs/dbraw/zinc/48/74/23/1380487423.db2.gz AIHPLKOYMCQZLW-PXAZEXFGSA-N 0 0 349.862 3.357 10 10 EGCERN O=C(CNc1ccccc1Cl)NCc1cccc(Cl)c1O ZINC001159033206 1381525389 /nfs/dbraw/zinc/52/53/89/1381525389.db2.gz FLKHGMAHSVYBQC-UHFFFAOYSA-N 0 0 325.195 3.427 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccns1 ZINC001294685660 1382483703 /nfs/dbraw/zinc/48/37/03/1382483703.db2.gz RFIPVMHVXKKXCT-UHFFFAOYSA-N 0 0 341.230 3.274 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)/C(F)=C(\C)C3CC3)CC2)cc1 ZINC001295275386 1382592780 /nfs/dbraw/zinc/59/27/80/1382592780.db2.gz RAXLSLHERHVTOL-JXAWBTAJSA-N 0 0 332.419 3.387 10 10 EGCERN O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(O)cc1O ZINC001162271547 1382717871 /nfs/dbraw/zinc/71/78/71/1382717871.db2.gz IVDBBPBDGMHTIV-UHFFFAOYSA-N 0 0 326.179 3.264 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cc(Cl)cc2cccnc21 ZINC001162279281 1382719403 /nfs/dbraw/zinc/71/94/03/1382719403.db2.gz YWVXHAQRAPJSIR-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN COc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc(Cl)c1OC ZINC001163994801 1383144232 /nfs/dbraw/zinc/14/42/32/1383144232.db2.gz LYSWTNCFIYZOHG-GQCTYLIASA-N 0 0 349.770 3.420 10 10 EGCERN COC1CCC(Cn2c(C)nnc2N(C)Cc2ccccc2O)CC1 ZINC001300722164 1383678237 /nfs/dbraw/zinc/67/82/37/1383678237.db2.gz VUEYZCRDNRUCTI-UHFFFAOYSA-N 0 0 344.459 3.134 10 10 EGCERN COc1ccc(Br)cc1OC(=O)c1cccc(O)c1O ZINC001301385233 1383711710 /nfs/dbraw/zinc/71/17/10/1383711710.db2.gz GZIGFWUZRNHABY-UHFFFAOYSA-N 0 0 339.141 3.088 10 10 EGCERN O=C(CCc1ccc2ccccc2c1O)NCc1cccc(O)c1O ZINC001303195019 1383787127 /nfs/dbraw/zinc/78/71/27/1383787127.db2.gz OOACOBUJBOFBCI-UHFFFAOYSA-N 0 0 337.375 3.206 10 10 EGCERN Cc1nc(-c2cccc(C(=O)NCc3cc(O)ccc3O)c2)cs1 ZINC001303225707 1383788703 /nfs/dbraw/zinc/78/87/03/1383788703.db2.gz NWYUKTUILMVXQL-UHFFFAOYSA-N 0 0 340.404 3.460 10 10 EGCERN Cc1cc(CC(=O)N2CCn3cccc3C2)c(C)n1-c1ccccc1 ZINC001303407700 1383798262 /nfs/dbraw/zinc/79/82/62/1383798262.db2.gz NOJSICGHLDXWKV-UHFFFAOYSA-N 0 0 333.435 3.481 10 10 EGCERN COc1cc(Cl)c(F)cc1NC(=O)c1ccc(C)c(O)c1O ZINC001304074290 1383827359 /nfs/dbraw/zinc/82/73/59/1383827359.db2.gz IFHUFZQSTJIHCC-UHFFFAOYSA-N 0 0 325.723 3.460 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](OC)[C@@H](C)CC ZINC001306080594 1383871917 /nfs/dbraw/zinc/87/19/17/1383871917.db2.gz NRLSKUZEIHYDKH-WMLDXEAASA-N 0 0 346.475 3.244 10 10 EGCERN CCOc1cc(NC2CCN(c3ccc(OC)cc3)CC2)nc(C)n1 ZINC001306952860 1383925340 /nfs/dbraw/zinc/92/53/40/1383925340.db2.gz BTPZULKWMDYNAS-UHFFFAOYSA-N 0 0 342.443 3.273 10 10 EGCERN CCn1c(Sc2nccs2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001306994765 1383930856 /nfs/dbraw/zinc/93/08/56/1383930856.db2.gz JEKCBSAUBAIRCE-UHFFFAOYSA-N 0 0 333.398 3.481 10 10 EGCERN CN(C)c1ccc(CN(Cc2ccco2)c2cc(F)ncn2)cc1 ZINC001306994918 1383931057 /nfs/dbraw/zinc/93/10/57/1383931057.db2.gz ITAYPDSTTIQYPU-UHFFFAOYSA-N 0 0 326.375 3.482 10 10 EGCERN CCCn1nccc1NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC001307679099 1384012629 /nfs/dbraw/zinc/01/26/29/1384012629.db2.gz PUXKVPAKESQIGC-UHFFFAOYSA-N 0 0 330.432 3.155 10 10 EGCERN Cc1cc(CN2CCNC(=O)[C@@H]2CC2CCCCC2)ccc1N(C)C ZINC001307853506 1384042758 /nfs/dbraw/zinc/04/27/58/1384042758.db2.gz BJAFABJDQWWXSO-FQEVSTJZSA-N 0 0 343.515 3.332 10 10 EGCERN Cc1cc(CC(=O)N2CCC[C@@](C)(CO)C2)c(C)n1-c1ccccc1 ZINC001328890178 1388896611 /nfs/dbraw/zinc/89/66/11/1388896611.db2.gz FYSOERCKEAIOPT-OAQYLSRUSA-N 0 0 340.467 3.258 10 10 EGCERN CCC[C@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001312758489 1384368841 /nfs/dbraw/zinc/36/88/41/1384368841.db2.gz OITVTJNNMIPSFU-MAUKXSAKSA-N 0 0 335.492 3.106 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC001313061539 1384392096 /nfs/dbraw/zinc/39/20/96/1384392096.db2.gz BTCHDQXSHPNWPJ-IXDOHACOSA-N 0 0 345.487 3.209 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001313097913 1384395803 /nfs/dbraw/zinc/39/58/03/1384395803.db2.gz CPSLPCNCORBLMI-XHDPSFHLSA-N 0 0 336.313 3.165 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC001313244215 1384405374 /nfs/dbraw/zinc/40/53/74/1384405374.db2.gz RVOMGGAGMWQPPA-QGZVFWFLSA-N 0 0 333.476 3.099 10 10 EGCERN CCN(CC1CC1)c1nnc(C)n1Cc1ccc2c(c1)CCCN2C ZINC001313758626 1384432381 /nfs/dbraw/zinc/43/23/81/1384432381.db2.gz HAIZKNVFKHMCCK-UHFFFAOYSA-N 0 0 339.487 3.254 10 10 EGCERN CCN(C)c1ccc(CN[C@@H](Cc2ccccc2)C(=O)OC)cc1 ZINC001171573875 1384567966 /nfs/dbraw/zinc/56/79/66/1384567966.db2.gz VRRVSBCLFIMLRC-IBGZPJMESA-N 0 0 326.440 3.017 10 10 EGCERN Cc1ccc(OCCCC(=O)NCc2c(O)cccc2O)cc1C ZINC001178911607 1386346445 /nfs/dbraw/zinc/34/64/45/1386346445.db2.gz NXTHOEFIUAYERH-UHFFFAOYSA-N 0 0 329.396 3.190 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](Cc3nccs3)C2)cc1 ZINC001180383278 1386780698 /nfs/dbraw/zinc/78/06/98/1386780698.db2.gz KRXOWWHPUNBDQT-NSHDSACASA-N 0 0 343.412 3.010 10 10 EGCERN CN1CCCc2cc(CNC(=O)NC3CC4(CC4(F)F)C3)ccc21 ZINC001330582385 1389461291 /nfs/dbraw/zinc/46/12/91/1389461291.db2.gz YOAAABTVAOHTDQ-UHFFFAOYSA-N 0 0 335.398 3.056 10 10 EGCERN COC(=O)CCc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001332726063 1390171043 /nfs/dbraw/zinc/17/10/43/1390171043.db2.gz FBWOVYFLGPBQGF-UHFFFAOYSA-N 0 0 340.379 3.046 10 10 EGCERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1Cc2cccnc2C1 ZINC001346874566 1390984018 /nfs/dbraw/zinc/98/40/18/1390984018.db2.gz NYOAKNFGDPGHMS-SFHVURJKSA-N 0 0 335.451 3.103 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CCC(O)CC1 ZINC001348000508 1391157955 /nfs/dbraw/zinc/15/79/55/1391157955.db2.gz NONOBOLELDIEPE-UHFFFAOYSA-N 0 0 332.469 3.437 10 10 EGCERN COc1cccc(CNC(=O)NC[C@H]2C[C@H]2Cc2ccccc2)c1O ZINC001349743339 1391361756 /nfs/dbraw/zinc/36/17/56/1391361756.db2.gz HNJLVUGJILYJEU-IAGOWNOFSA-N 0 0 340.423 3.079 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2noc3c2CC(C)(C)CC3)cc1F ZINC001351738759 1391681529 /nfs/dbraw/zinc/68/15/29/1391681529.db2.gz QRDRSPZVRHSYON-UHFFFAOYSA-N 0 0 345.418 3.325 10 10 EGCERN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1Cc2cccc(O)c2C1 ZINC001352063153 1391753856 /nfs/dbraw/zinc/75/38/56/1391753856.db2.gz XWKWZGOOHNJBQH-UHFFFAOYSA-N 0 0 344.367 3.488 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001353919543 1392108125 /nfs/dbraw/zinc/10/81/25/1392108125.db2.gz AJQSXXNSYSEVHC-QUCCMNQESA-N 0 0 328.456 3.204 10 10 EGCERN C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@@H](C)O1 ZINC001354577970 1392153902 /nfs/dbraw/zinc/15/39/02/1392153902.db2.gz TZAWPSKWINVSBK-QFSBIZTOSA-N 0 0 349.386 3.214 10 10 EGCERN Cc1cc(CC(=O)OCc2csnn2)c(C)n1-c1ccccc1 ZINC001354888120 1392175455 /nfs/dbraw/zinc/17/54/55/1392175455.db2.gz ARYJZDKWQQWUMK-UHFFFAOYSA-N 0 0 327.409 3.232 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cc1 ZINC001479329259 1392216601 /nfs/dbraw/zinc/21/66/01/1392216601.db2.gz ZIKCNDVZOIUVCO-SAKMYQHLSA-N 0 0 345.487 3.065 10 10 EGCERN COC1(Cn2c(C)nnc2N(C)Cc2ccccc2O)CCCCC1 ZINC001504048712 1396271283 /nfs/dbraw/zinc/27/12/83/1396271283.db2.gz OOMNMQBWIUSRPN-UHFFFAOYSA-N 0 0 344.459 3.278 10 10 EGCERN Cc1nnc(N2CC[C@H]3CCC[C@@H]32)n1Cc1ccc(N(C)C)cc1C ZINC001724237454 1424748570 /nfs/dbraw/zinc/74/85/70/1424748570.db2.gz ZVUDJKCLYIONSH-APWZRJJASA-N 0 0 339.487 3.388 10 10 EGCERN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CC1(C)CC1 ZINC001729420004 1427166394 /nfs/dbraw/zinc/16/63/94/1427166394.db2.gz CMVSVYVZIDVTOC-MRXNPFEDSA-N 0 0 342.443 3.272 10 10 EGCERN CC(C)Cc1nnc(N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001761030474 1441371649 /nfs/dbraw/zinc/37/16/49/1441371649.db2.gz PJRAYZJFVPFFOD-UHFFFAOYSA-N 0 0 345.466 3.330 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001761698476 1441373162 /nfs/dbraw/zinc/37/31/62/1441373162.db2.gz WLDAHRFXLBTEJX-ZBFHGGJFSA-N 0 0 341.503 3.492 10 10 EGCERN Cc1cc(N(C)C)ccc1Cn1c(CC(C)C)nnc1N(C)C1CC1 ZINC001761697828 1441373209 /nfs/dbraw/zinc/37/32/09/1441373209.db2.gz FZVNQGGIVKFLJD-UHFFFAOYSA-N 0 0 341.503 3.498 10 10 EGCERN CCC[C@](C)(O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001763734938 1441385611 /nfs/dbraw/zinc/38/56/11/1441385611.db2.gz SLAYBZLTSGPSGF-IBGZPJMESA-N 0 0 344.459 3.049 10 10 EGCERN CCc1nnc(N(C)OC)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001764742417 1441391738 /nfs/dbraw/zinc/39/17/38/1441391738.db2.gz MHCSQUDGIYTTOR-UHFFFAOYSA-N 0 0 343.475 3.123 10 10 EGCERN CN(C)c1ccc([C@@H]2N3CCC[C@@H]3C(=O)N2c2ccc(F)cc2)cc1 ZINC000058047317 214474525 /nfs/dbraw/zinc/47/45/25/214474525.db2.gz BONOHCDZWITKNP-RTBURBONSA-N 0 0 339.414 3.402 10 10 EGCERN CCOC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(OC)cc1 ZINC000100249970 219095612 /nfs/dbraw/zinc/09/56/12/219095612.db2.gz BRTPKPGANQCNFO-GHRIWEEISA-N 0 0 337.379 3.388 10 10 EGCERN COCCCNC(=O)NCc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000009228566 211054904 /nfs/dbraw/zinc/05/49/04/211054904.db2.gz AQQTUXQUTIDRFL-UHFFFAOYSA-N 0 0 329.444 3.238 10 10 EGCERN CN1CCCc2cc(/C=C\C(=O)NC[C@@H]3Cc4ccccc4O3)ccc21 ZINC000096314029 135642953 /nfs/dbraw/zinc/64/29/53/135642953.db2.gz IRHMXBGOYHJSOB-JQYPEGPJSA-N 0 0 348.446 3.202 10 10 EGCERN COc1cccc(CNC(=O)C2CCc3ccccc3CC2)c1O ZINC000528863199 313195223 /nfs/dbraw/zinc/19/52/23/313195223.db2.gz TVOZJVXZBZCLCR-UHFFFAOYSA-N 0 0 325.408 3.212 10 10 EGCERN CN(C)c1ccc(CNC(=O)Nc2ncn(C3CCCCC3)n2)cc1 ZINC000184601221 455411676 /nfs/dbraw/zinc/41/16/76/455411676.db2.gz GTNVJLZYHVXAPV-UHFFFAOYSA-N 0 0 342.447 3.171 10 10 EGCERN Nc1ccc(CC(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)cc1 ZINC000071700833 454210425 /nfs/dbraw/zinc/21/04/25/454210425.db2.gz DHOFWOZKILFZHO-HXUWFJFHSA-N 0 0 335.382 3.251 10 10 EGCERN CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc2nccnc2c1 ZINC000060101643 454269906 /nfs/dbraw/zinc/26/99/06/454269906.db2.gz PRZIEXZOCHOIJC-GOSISDBHSA-N 0 0 332.363 3.033 10 10 EGCERN CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1ccc(N(C)C)cc1 ZINC000064567348 454491224 /nfs/dbraw/zinc/49/12/24/454491224.db2.gz WSMAXDSOZKWEMX-SFHVURJKSA-N 0 0 327.359 3.131 10 10 EGCERN Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000160347916 455450077 /nfs/dbraw/zinc/45/00/77/455450077.db2.gz REZBWPZIMCJHPD-HNNXBMFYSA-N 0 0 345.402 3.414 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c(O)c1O ZINC000177676813 454890833 /nfs/dbraw/zinc/89/08/33/454890833.db2.gz OKSZVBQLHYTWQU-OAHLLOKOSA-N 0 0 329.371 3.393 10 10 EGCERN COc1cc(N2CCN([C@H](C)c3ccco3)CC2)cc(OC)c1OC ZINC000170602828 454939348 /nfs/dbraw/zinc/93/93/48/454939348.db2.gz DUWMOWFLDZJSCS-CQSZACIVSA-N 0 0 346.427 3.189 10 10 EGCERN COc1cccc(CNC(=O)Nc2ccc3c(c2)CCCO3)c1O ZINC000171544995 455076751 /nfs/dbraw/zinc/07/67/51/455076751.db2.gz QMDJPCSMPILSQJ-UHFFFAOYSA-N 0 0 328.368 3.048 10 10 EGCERN COc1ccc(O)c(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000179986154 455111491 /nfs/dbraw/zinc/11/14/91/455111491.db2.gz FVHTZAYUQWKXSR-INIZCTEOSA-N 0 0 342.443 3.056 10 10 EGCERN COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000185711862 455602843 /nfs/dbraw/zinc/60/28/43/455602843.db2.gz IRINEXFTGQBCLB-ZFWWWQNUSA-N 0 0 330.403 3.469 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cc[nH]c3C3CC3)CC2)cc1F ZINC000284714693 455731110 /nfs/dbraw/zinc/73/11/10/455731110.db2.gz FJTFIMYGYNOWJO-UHFFFAOYSA-N 0 0 343.402 3.002 10 10 EGCERN C[C@]12CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@H]1C2(F)F ZINC000293101967 455775230 /nfs/dbraw/zinc/77/52/30/455775230.db2.gz UHUVVASOITVTPD-AEFFLSMTSA-N 0 0 347.409 3.250 10 10 EGCERN Cc1cc2nc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n3c2cc1C ZINC000252669178 455826697 /nfs/dbraw/zinc/82/66/97/455826697.db2.gz GSIQTMYTJDAWDX-UHFFFAOYSA-N 0 0 349.459 3.140 10 10 EGCERN CC(C)c1nn(C)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000280735541 456041258 /nfs/dbraw/zinc/04/12/58/456041258.db2.gz KXIUXDWAJQRVFG-UHFFFAOYSA-N 0 0 341.459 3.248 10 10 EGCERN CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287585742 456071835 /nfs/dbraw/zinc/07/18/35/456071835.db2.gz HRENQMNSSYXXOI-NOZJJQNGSA-N 0 0 329.231 3.420 10 10 EGCERN CCOCc1nc([C@H](C)N[C@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000289585049 456131021 /nfs/dbraw/zinc/13/10/21/456131021.db2.gz AQZYSTAJZBQGJN-KGLIPLIRSA-N 0 0 332.448 3.474 10 10 EGCERN CCOc1ccc(O)c(CN(C)Cc2nccn2CC(F)(F)F)c1 ZINC000271138992 456138611 /nfs/dbraw/zinc/13/86/11/456138611.db2.gz BOWDJOMPFFYZMP-UHFFFAOYSA-N 0 0 343.349 3.182 10 10 EGCERN CCC[C@]1(C)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301689619 456187217 /nfs/dbraw/zinc/18/72/17/456187217.db2.gz MYQSURDBRULIAA-QGZVFWFLSA-N 0 0 333.388 3.332 10 10 EGCERN COC(=O)c1coc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000273482956 456233749 /nfs/dbraw/zinc/23/37/49/456233749.db2.gz MYPUPMIUDRDMBT-UHFFFAOYSA-N 0 0 344.411 3.183 10 10 EGCERN Cc1nc(C2CC2)oc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000273745328 456243901 /nfs/dbraw/zinc/24/39/01/456243901.db2.gz WIOCEKPHOACVHD-UHFFFAOYSA-N 0 0 325.412 3.173 10 10 EGCERN COc1ccc(N2CCCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302819405 456410152 /nfs/dbraw/zinc/41/01/52/456410152.db2.gz OERCIUXOODJOJT-UHFFFAOYSA-N 0 0 345.374 3.459 10 10 EGCERN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000291194233 456560900 /nfs/dbraw/zinc/56/09/00/456560900.db2.gz GWAHYDXGBLLFOM-IBGZPJMESA-N 0 0 331.843 3.490 10 10 EGCERN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCCC2 ZINC000324254113 456664984 /nfs/dbraw/zinc/66/49/84/456664984.db2.gz IKYZOPIQNAFOMY-HUUCEWRRSA-N 0 0 327.476 3.482 10 10 EGCERN Cc1ccc(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cn1 ZINC000378639644 457412927 /nfs/dbraw/zinc/41/29/27/457412927.db2.gz SVOUUBCPDUDESA-UHFFFAOYSA-N 0 0 326.396 3.129 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000370366571 457630867 /nfs/dbraw/zinc/63/08/67/457630867.db2.gz KXJFWDYTEJLUKZ-CTLVEUTNSA-N 0 0 339.391 3.005 10 10 EGCERN Cn1cc(-c2c[nH]cc2C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cn1 ZINC000427809546 458037978 /nfs/dbraw/zinc/03/79/78/458037978.db2.gz ACWMBOONZXOTHY-LBPRGKRZSA-N 0 0 346.390 3.136 10 10 EGCERN CC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435666925 458180837 /nfs/dbraw/zinc/18/08/37/458180837.db2.gz DMVXLHWODPDBCR-OAHLLOKOSA-N 0 0 327.472 3.323 10 10 EGCERN O=C([C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1)N1CCCCC1 ZINC000373850451 458625939 /nfs/dbraw/zinc/62/59/39/458625939.db2.gz SKUAKUKFGGZECX-HIFRSBDPSA-N 0 0 336.863 3.316 10 10 EGCERN CC1(C)C[C@@H](C(=O)NCc2ccc3cccnc3c2O)C(C)(C)O1 ZINC000529503762 459830215 /nfs/dbraw/zinc/83/02/15/459830215.db2.gz WJWVNEXUPIDGHD-AWEZNQCLSA-N 0 0 328.412 3.150 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000727759343 574688843 /nfs/dbraw/zinc/68/88/43/574688843.db2.gz YLMXMJLEDLEAHZ-IBGZPJMESA-N 0 0 325.456 3.260 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000728979257 574790725 /nfs/dbraw/zinc/79/07/25/574790725.db2.gz DIKNBCXVWGDCPX-BTDLBPIBSA-N 0 0 347.798 3.235 10 10 EGCERN CCc1n[nH]cc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016143 575044624 /nfs/dbraw/zinc/04/46/24/575044624.db2.gz FEKBFYBSVPERSC-UHFFFAOYSA-N 0 0 326.444 3.138 10 10 EGCERN O=C(NC[C@H]1CCCCN1Cc1ccccc1)C1=CC(=O)CS1 ZINC000731872027 575214375 /nfs/dbraw/zinc/21/43/75/575214375.db2.gz WNPSTDXFZTXBQM-OAHLLOKOSA-N 0 0 330.453 3.238 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1cnc2ccccc2n1 ZINC000734406237 575481582 /nfs/dbraw/zinc/48/15/82/575481582.db2.gz RVLZMHZVLFDVDB-LUAWRHEFSA-N 0 0 346.434 3.334 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000738441190 576326806 /nfs/dbraw/zinc/32/68/06/576326806.db2.gz WTPMAVZSVCGODW-UHFFFAOYSA-N 0 0 338.234 3.319 10 10 EGCERN COC(=O)/C=C\c1ccc(N2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000742420289 576782266 /nfs/dbraw/zinc/78/22/66/576782266.db2.gz AYEUDGUJYCBHLI-KRYZUYOTSA-N 0 0 336.413 3.111 10 10 EGCERN C[C@H](NC(=O)N1C[C@H](C)CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000743564060 576812209 /nfs/dbraw/zinc/81/22/09/576812209.db2.gz CLFGLMIQIUXEMZ-ZACQAIPSSA-N 0 0 345.487 3.414 10 10 EGCERN COc1cc(Br)cc(CN(C)Cc2cc(C)on2)c1O ZINC000092254142 1292858079 /nfs/dbraw/zinc/85/80/79/1292858079.db2.gz DCOITGXIVUJJSW-UHFFFAOYSA-N 0 0 341.205 3.092 10 10 EGCERN CCN1C(=O)/C(=C/C2=Cc3ccc(OC)cc3OC2)SC1=S ZINC000096019446 1292946940 /nfs/dbraw/zinc/94/69/40/1292946940.db2.gz RPBZHJBXIRVJNR-AUWJEWJLSA-N 0 0 333.434 3.235 10 10 EGCERN CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)SC1=S ZINC000096662758 1292952521 /nfs/dbraw/zinc/95/25/21/1292952521.db2.gz CURBVPYXOFERRD-POHAHGRESA-N 0 0 329.830 3.275 10 10 EGCERN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cccc(O)c1O ZINC000193144670 1295838077 /nfs/dbraw/zinc/83/80/77/1295838077.db2.gz NEIRPDVLCDOJAF-UHFFFAOYSA-N 0 0 337.257 3.245 10 10 EGCERN COCCn1cc(C(=O)N2Cc3cccc(O)c3C2)c2ccccc21 ZINC000871201005 1296269902 /nfs/dbraw/zinc/26/99/02/1296269902.db2.gz OVSNLHJKDXKANT-UHFFFAOYSA-N 0 0 336.391 3.149 10 10 EGCERN CCN(CC)C(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871202252 1296271820 /nfs/dbraw/zinc/27/18/20/1296271820.db2.gz BFPMVLJDRBJGIM-UHFFFAOYSA-N 0 0 338.407 3.030 10 10 EGCERN COc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(OC(C)C)c1 ZINC000871205369 1296273119 /nfs/dbraw/zinc/27/31/19/1296273119.db2.gz ZDMWAHGGHBCUTE-UHFFFAOYSA-N 0 0 327.380 3.344 10 10 EGCERN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206813 1296273442 /nfs/dbraw/zinc/27/34/42/1296273442.db2.gz FNGXFMMNHBPALW-LBPRGKRZSA-N 0 0 327.355 3.283 10 10 EGCERN COc1ccc(N2CCN(Cc3cccc(C#N)c3F)CC2)cc1 ZINC000326717861 1297239637 /nfs/dbraw/zinc/23/96/37/1297239637.db2.gz BSUVXNOHJWJOOW-UHFFFAOYSA-N 0 0 325.387 3.028 10 10 EGCERN C[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893995594 1306169304 /nfs/dbraw/zinc/16/93/04/1306169304.db2.gz XCHADAPWFKLALO-SECBINFHSA-N 0 0 348.668 3.401 10 10 EGCERN COc1ccc(N2CCN(Cc3nc(C(C)C)c[nH]3)CC2)cc1F ZINC000894088997 1306211819 /nfs/dbraw/zinc/21/18/19/1306211819.db2.gz NRIXZYNXSUNWMX-UHFFFAOYSA-N 0 0 332.423 3.003 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccn2ccccc12 ZINC000895495029 1309369239 /nfs/dbraw/zinc/36/92/39/1309369239.db2.gz MQVZMXWARPOBTL-UHFFFAOYSA-N 0 0 349.434 3.048 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000895535581 1309389082 /nfs/dbraw/zinc/38/90/82/1309389082.db2.gz AKKLLZGDIZEEJT-CYBMUJFWSA-N 0 0 343.826 3.250 10 10 EGCERN Cc1cc(Br)cc(CNC2(c3ncccn3)CCC2)c1O ZINC000895623140 1309433143 /nfs/dbraw/zinc/43/31/43/1309433143.db2.gz OBFBRVNIYSFDLH-UHFFFAOYSA-N 0 0 348.244 3.422 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000897594681 1310400921 /nfs/dbraw/zinc/40/09/21/1310400921.db2.gz YCRHAXIYRYBNMS-LLVKDONJSA-N 0 0 329.381 3.013 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000897861839 1310495813 /nfs/dbraw/zinc/49/58/13/1310495813.db2.gz QVXUBTWIQQPHCF-WMZOPIPTSA-N 0 0 345.420 3.096 10 10 EGCERN CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](CC)O1 ZINC000897995447 1310546703 /nfs/dbraw/zinc/54/67/03/1310546703.db2.gz FLJPJMRNPQMKLH-VXGBXAGGSA-N 0 0 335.425 3.342 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C=O)cn2)cc1 ZINC000929537033 1328628754 /nfs/dbraw/zinc/62/87/54/1328628754.db2.gz JDIOMPLDYXLODS-UHFFFAOYSA-N 0 0 325.412 3.013 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCn3cncc32)c(C)n1-c1ccccc1C ZINC000857988273 1328650190 /nfs/dbraw/zinc/65/01/90/1328650190.db2.gz HNVKRGULMCDKGY-QGZVFWFLSA-N 0 0 334.423 3.474 10 10 EGCERN Cc1cc(C(=O)N[C@H]2CCn3cncc32)c(C)n1-c1ccc(F)cc1 ZINC000857990762 1328651252 /nfs/dbraw/zinc/65/12/52/1328651252.db2.gz XSNWXUGNVDBZCN-KRWDZBQOSA-N 0 0 338.386 3.305 10 10 EGCERN Cc1ccc(O[C@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)nc1 ZINC000858015341 1328659492 /nfs/dbraw/zinc/65/94/92/1328659492.db2.gz ZKTFMRKAQJXDPX-HNNXBMFYSA-N 0 0 347.409 3.388 10 10 EGCERN COc1cc(N(C)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc(OC)c1OC ZINC000929706851 1328673420 /nfs/dbraw/zinc/67/34/20/1328673420.db2.gz IDEKWPIWBPRTBM-SMDDNHRTSA-N 0 0 349.349 3.259 10 10 EGCERN O=C(c1c(F)ccc(O)c1O)N1Cc2ccccc2OC2(CCC2)C1 ZINC000899828707 1317177104 /nfs/dbraw/zinc/17/71/04/1317177104.db2.gz YPWYKUSWZSQIIF-UHFFFAOYSA-N 0 0 343.354 3.194 10 10 EGCERN C[C@@H]1CC(=O)N(C)c2ccc(NCc3cc4c(cc3O)OCO4)cc21 ZINC000858311426 1328734967 /nfs/dbraw/zinc/73/49/67/1328734967.db2.gz JLOIIQRILDATCP-LLVKDONJSA-N 0 0 340.379 3.203 10 10 EGCERN Cc1cc(CNC(=O)NCC[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000858357147 1328744096 /nfs/dbraw/zinc/74/40/96/1328744096.db2.gz MPSVYPCZPYMKEY-QGZVFWFLSA-N 0 0 341.455 3.320 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1ncc2c(F)cccn21 ZINC000858453069 1328766167 /nfs/dbraw/zinc/76/61/67/1328766167.db2.gz SAYPKFMCTJERRG-UHFFFAOYSA-N 0 0 338.386 3.004 10 10 EGCERN C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858464232 1328768588 /nfs/dbraw/zinc/76/85/88/1328768588.db2.gz KCLMGYDIWRHNHB-CZUORRHYSA-N 0 0 333.432 3.358 10 10 EGCERN CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(F)cc1[O-] ZINC000858539842 1328791836 /nfs/dbraw/zinc/79/18/36/1328791836.db2.gz NWKSQXHTPPAFRJ-AWEZNQCLSA-N 0 0 330.359 3.217 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCSCC2)c1 ZINC000858545446 1328792317 /nfs/dbraw/zinc/79/23/17/1328792317.db2.gz OPSWLKGMVROKJP-UHFFFAOYSA-N 0 0 342.464 3.486 10 10 EGCERN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000858592547 1328804136 /nfs/dbraw/zinc/80/41/36/1328804136.db2.gz FUIXIDMPQFSHJZ-BBBLOLIVSA-N 0 0 332.213 3.369 10 10 EGCERN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCS1 ZINC000914180167 1319258684 /nfs/dbraw/zinc/25/86/84/1319258684.db2.gz GXXVMMWOCKFZMX-HOCLYGCPSA-N 0 0 333.501 3.370 10 10 EGCERN C[C@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCCCO1 ZINC000914180827 1319258829 /nfs/dbraw/zinc/25/88/29/1319258829.db2.gz XPYPSWUPGHUQNS-LJQANCHMSA-N 0 0 331.460 3.045 10 10 EGCERN O=C(Nc1ccccc1O[C@@H]1CCOC1)N1Cc2cccc(O)c2C1 ZINC000930375932 1328844536 /nfs/dbraw/zinc/84/45/36/1328844536.db2.gz IWKOAZRMXXBSKG-CQSZACIVSA-N 0 0 340.379 3.108 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cnc(Cl)s1 ZINC000919080669 1322025512 /nfs/dbraw/zinc/02/55/12/1322025512.db2.gz DOMBLFQMYGWUPK-UHFFFAOYSA-N 0 0 338.864 3.170 10 10 EGCERN CC1(C)C[C@@H]1C(=O)NCc1cc(NC(=O)[C@H]2CC2(C)C)ccc1O ZINC000923122799 1322696319 /nfs/dbraw/zinc/69/63/19/1322696319.db2.gz STCIQETUGQRLHA-ZIAGYGMSSA-N 0 0 330.428 3.039 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC000931146405 1329060670 /nfs/dbraw/zinc/06/06/70/1329060670.db2.gz MFYKOIHYNNZTEP-SMDDNHRTSA-N 0 0 348.340 3.008 10 10 EGCERN COc1cccc(CNC(=O)NCCC2(c3ccccc3)CC2)c1O ZINC000924468320 1323032058 /nfs/dbraw/zinc/03/20/58/1323032058.db2.gz WSSXFWXFYFWSDA-UHFFFAOYSA-N 0 0 340.423 3.322 10 10 EGCERN C[C@H](COCC1CCCCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000925742916 1325277993 /nfs/dbraw/zinc/27/79/93/1325277993.db2.gz YTUPKFHBTQFOJA-CQSZACIVSA-N 0 0 332.444 3.403 10 10 EGCERN CC[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794890 1325303501 /nfs/dbraw/zinc/30/35/01/1325303501.db2.gz VWZFGDOENOYOFJ-XJKSGUPXSA-N 0 0 338.879 3.245 10 10 EGCERN COc1ccc(CNC(=O)N[C@H](C)c2ccc(F)cc2C)c(O)c1 ZINC000926219661 1325477818 /nfs/dbraw/zinc/47/78/18/1325477818.db2.gz QTHJCSZIXYMBEB-GFCCVEGCSA-N 0 0 332.375 3.409 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@H]2CCOC2)c1 ZINC000860773451 1329354186 /nfs/dbraw/zinc/35/41/86/1329354186.db2.gz STCWCSRGEAVDFS-INIZCTEOSA-N 0 0 340.423 3.063 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000926689597 1327668722 /nfs/dbraw/zinc/66/87/22/1327668722.db2.gz KHFLWTYYTDKJON-SMDDNHRTSA-N 0 0 342.361 3.269 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000926951061 1327792381 /nfs/dbraw/zinc/79/23/81/1327792381.db2.gz WTFJZIJXGSURKT-WJZNIJOASA-N 0 0 332.227 3.154 10 10 EGCERN CC(C)=CC[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000927216442 1327920193 /nfs/dbraw/zinc/92/01/93/1327920193.db2.gz LUPUCIYIESAWPQ-LLVKDONJSA-N 0 0 328.199 3.357 10 10 EGCERN O=C(NCc1c(O)cccc1F)NC[C@@]1(c2ccccc2)CCCO1 ZINC000927684105 1328105296 /nfs/dbraw/zinc/10/52/96/1328105296.db2.gz ILAOTXWPBVDMSM-LJQANCHMSA-N 0 0 344.386 3.036 10 10 EGCERN O=C(NC[C@]12C[C@H]1CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000927697882 1328110029 /nfs/dbraw/zinc/11/00/29/1328110029.db2.gz OMVVZMLADOQBBH-UWVAXJGDSA-N 0 0 344.455 3.273 10 10 EGCERN O=C(C1=CC(=O)CS1)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000928108218 1328200355 /nfs/dbraw/zinc/20/03/55/1328200355.db2.gz LCKWOIMADKRBKE-UHFFFAOYSA-N 0 0 345.420 3.038 10 10 EGCERN COc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnc1OC ZINC000861415650 1329417458 /nfs/dbraw/zinc/41/74/58/1329417458.db2.gz XDQPAYMNIJQJMS-GFCCVEGCSA-N 0 0 344.415 3.048 10 10 EGCERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862027169 1329455999 /nfs/dbraw/zinc/45/59/99/1329455999.db2.gz LAOBUSLZJOVIKQ-NSHDSACASA-N 0 0 338.411 3.090 10 10 EGCERN Oc1cccc(Br)c1CN1CCOC[C@H]1CC(F)F ZINC000862365707 1329478573 /nfs/dbraw/zinc/47/85/73/1329478573.db2.gz DKEXRMNGLNRTTA-SECBINFHSA-N 0 0 336.176 3.011 10 10 EGCERN Cc1cc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)c(C)n1-c1ccccc1 ZINC000863163938 1329531754 /nfs/dbraw/zinc/53/17/54/1329531754.db2.gz UNAVUEWIVBZGRS-MRXNPFEDSA-N 0 0 348.450 3.239 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(CNc2ccc3c(c2)OCC[NH2+]C3)c1[O-] ZINC000863487834 1329557574 /nfs/dbraw/zinc/55/75/74/1329557574.db2.gz ZROCBJREVYWKOH-UHFFFAOYSA-N 0 0 349.774 3.048 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(C(F)(F)F)CCCC1 ZINC000863508515 1329559691 /nfs/dbraw/zinc/55/96/91/1329559691.db2.gz XWXJGZCEIBBWEP-XQRVVYSFSA-N 0 0 329.318 3.350 10 10 EGCERN CN(CC(=O)Nc1ccnn1CC1CCCCC1)c1ccc(N)cc1 ZINC000863558723 1329563204 /nfs/dbraw/zinc/56/32/04/1329563204.db2.gz USCZMFZKLRGFNL-UHFFFAOYSA-N 0 0 341.459 3.121 10 10 EGCERN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)c(F)cc1OC ZINC000864356057 1329609701 /nfs/dbraw/zinc/60/97/01/1329609701.db2.gz LPXXMNUMKFXCBX-WUXMJOGZSA-N 0 0 327.402 3.064 10 10 EGCERN O=C([O-])[C@@H](CC1CCCC1)[NH2+]Cc1c(O)cccc1Br ZINC000864509594 1329620093 /nfs/dbraw/zinc/62/00/93/1329620093.db2.gz ODKWWGCRDUPDNJ-CYBMUJFWSA-N 0 0 342.233 3.278 10 10 EGCERN CN(C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000865763561 1329736218 /nfs/dbraw/zinc/73/62/18/1329736218.db2.gz JLBFLRJVANBFKL-FJVVXJACSA-N 0 0 345.443 3.248 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nnc(C2CC2)o1 ZINC000865894036 1329749741 /nfs/dbraw/zinc/74/97/41/1329749741.db2.gz HKXXTQIXRREVND-UHFFFAOYSA-N 0 0 340.427 3.210 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3cccnc3)C2)cc1OC ZINC000866017821 1329759375 /nfs/dbraw/zinc/75/93/75/1329759375.db2.gz GPDWLCOKUZKAHR-AWEZNQCLSA-N 0 0 343.383 3.391 10 10 EGCERN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000934939414 1330018975 /nfs/dbraw/zinc/01/89/75/1330018975.db2.gz RRKRAYVBYCCPTA-SJORKVTESA-N 0 0 325.408 3.025 10 10 EGCERN C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866479375 1330117483 /nfs/dbraw/zinc/11/74/83/1330117483.db2.gz STVQNHCYOABTTG-LBPRGKRZSA-N 0 0 328.368 3.224 10 10 EGCERN COc1cc(C)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000867301818 1330192615 /nfs/dbraw/zinc/19/26/15/1330192615.db2.gz FQBCQRCRZNWHNB-GFCCVEGCSA-N 0 0 329.396 3.084 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)Nc2cc(C)cc(N)c2)cc1 ZINC000868191909 1330260684 /nfs/dbraw/zinc/26/06/84/1330260684.db2.gz HPPWQDNXPSYFCE-UHFFFAOYSA-N 0 0 342.443 3.186 10 10 EGCERN CCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(Br)cc1 ZINC001124828636 1372734020 /nfs/dbraw/zinc/73/40/20/1372734020.db2.gz OTGSGZFKYBRFNV-RMKNXTFCSA-N 0 0 334.217 3.249 10 10 EGCERN CC(=O)Nc1cccc(NC(=O)CSc2ncc(Cl)s2)c1 ZINC001189833426 1367116951 /nfs/dbraw/zinc/11/69/51/1367116951.db2.gz WDZYFYZYXDNTMZ-UHFFFAOYSA-N 0 0 341.845 3.486 10 10 EGCERN COc1ccc(N(CCc2ccccc2)C[C@@H]2CN(C)C(=O)O2)cc1 ZINC001191891275 1367629096 /nfs/dbraw/zinc/62/90/96/1367629096.db2.gz HLDUKQSVCRZQCC-IBGZPJMESA-N 0 0 340.423 3.195 10 10 EGCERN CCOc1ccc(N(Cc2nnn(C(C)(C)C)n2)CC2CC2)cc1 ZINC001196953017 1368719554 /nfs/dbraw/zinc/71/95/54/1368719554.db2.gz QLXSRQLYQJNYEC-UHFFFAOYSA-N 0 0 329.448 3.243 10 10 EGCERN C[C@@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 ZINC001124549088 1372710809 /nfs/dbraw/zinc/71/08/09/1372710809.db2.gz BVKIMCGSDPIWSH-LPHOPBHVSA-N 0 0 330.472 3.450 10 10 EGCERN CO[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001124549298 1372711342 /nfs/dbraw/zinc/71/13/42/1372711342.db2.gz HCGINMHBQDASTG-IEBWSBKVSA-N 0 0 330.472 3.450 10 10 EGCERN C[C@@H](NC(=O)c1ncnc2sccc21)c1ccc(N(C)C)cc1 ZINC001128242641 1373240489 /nfs/dbraw/zinc/24/04/89/1373240489.db2.gz YXRJCPQMBHGDKY-LLVKDONJSA-N 0 0 326.425 3.248 10 10 EGCERN Cc1cnc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1C ZINC001129975508 1373442050 /nfs/dbraw/zinc/44/20/50/1373442050.db2.gz ZUROFKJYOYZIGV-INIZCTEOSA-N 0 0 325.456 3.434 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)COC1CCCCC1 ZINC001129973698 1373442064 /nfs/dbraw/zinc/44/20/64/1373442064.db2.gz KTTVPSSVWNVLPS-INIZCTEOSA-N 0 0 332.488 3.458 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4cccnc4c3)C2)cc1 ZINC001131029564 1373627576 /nfs/dbraw/zinc/62/75/76/1373627576.db2.gz CMSAMKDSBBCYMP-KRWDZBQOSA-N 0 0 347.418 3.252 10 10 EGCERN CNc1nc(C)cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001132047891 1375116595 /nfs/dbraw/zinc/11/65/95/1375116595.db2.gz AWSOHELPNIVRAB-UHFFFAOYSA-N 0 0 349.438 3.164 10 10 EGCERN Cc1c(CNC(=O)NCc2cc(Cl)ccc2O)cccc1[N+](=O)[O-] ZINC001226218061 1375221842 /nfs/dbraw/zinc/22/18/42/1375221842.db2.gz RRCLAKZGSLGXCD-UHFFFAOYSA-N 0 0 349.774 3.262 10 10 EGCERN O=C(NCc1noc2ccccc21)NCc1cc(Cl)ccc1O ZINC001255265583 1377110310 /nfs/dbraw/zinc/11/03/10/1377110310.db2.gz NPJUROXOLZNMDF-UHFFFAOYSA-N 0 0 331.759 3.186 10 10 EGCERN CCOCCCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001135497634 1377119350 /nfs/dbraw/zinc/11/93/50/1377119350.db2.gz LRNQSVVGTUASPY-UHFFFAOYSA-N 0 0 328.412 3.063 10 10 EGCERN CCC/C=C\[C@@H](O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001135746555 1377200399 /nfs/dbraw/zinc/20/03/99/1377200399.db2.gz URQJPZODOSBCJA-WMHRWZGDSA-N 0 0 330.472 3.353 10 10 EGCERN COc1ccc(C)cc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135846515 1377232187 /nfs/dbraw/zinc/23/21/87/1377232187.db2.gz NDAGBMDRAQFRFP-UHFFFAOYSA-N 0 0 340.383 3.139 10 10 EGCERN C[C@H]1Cc2cc(C(=O)NCc3ccc4c(c3)CCCN4C)ccc2O1 ZINC001136436733 1377392986 /nfs/dbraw/zinc/39/29/86/1377392986.db2.gz HVJJYADLYPBTHB-AWEZNQCLSA-N 0 0 336.435 3.322 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCCCNc2ccccc2)cc1 ZINC001136662623 1377413740 /nfs/dbraw/zinc/41/37/40/1377413740.db2.gz OWRSPZVWMVGOHT-UHFFFAOYSA-N 0 0 325.372 3.081 10 10 EGCERN O=C(NCCCSc1nccs1)c1coc(-c2cccnc2)n1 ZINC001136661847 1377413946 /nfs/dbraw/zinc/41/39/46/1377413946.db2.gz RKDOQPMEPAGPIP-UHFFFAOYSA-N 0 0 346.437 3.105 10 10 EGCERN O=C(c1ccnc2[nH]cnc21)N(Cc1ccco1)Cc1ccccc1O ZINC001137343289 1377526307 /nfs/dbraw/zinc/52/63/07/1377526307.db2.gz IOHQIXGZZPOCNG-UHFFFAOYSA-N 0 0 348.362 3.099 10 10 EGCERN CN(Cc1ccccc1O)C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001137345592 1377527769 /nfs/dbraw/zinc/52/77/69/1377527769.db2.gz OPMWDTQLPFPFJH-UHFFFAOYSA-N 0 0 329.787 3.123 10 10 EGCERN O=C(NCc1ccccc1O)c1cc(=O)c2ccc(Cl)cc2o1 ZINC001137471774 1377554059 /nfs/dbraw/zinc/55/40/59/1377554059.db2.gz ZZCKPRLUVDSGIS-UHFFFAOYSA-N 0 0 329.739 3.082 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2cccnc2)c1 ZINC001141397319 1378317522 /nfs/dbraw/zinc/31/75/22/1378317522.db2.gz ADUWDDIMGZPGQQ-UHFFFAOYSA-N 0 0 347.418 3.274 10 10 EGCERN Cc1cc(C(=O)N[C@@H](CO)c2ccccn2)c(C)n1-c1ccccc1C ZINC001141419677 1378322864 /nfs/dbraw/zinc/32/28/64/1378322864.db2.gz FMBUTDOLLPCOKJ-IBGZPJMESA-N 0 0 349.434 3.261 10 10 EGCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nc2ccccc2[nH]1 ZINC001142636572 1378467512 /nfs/dbraw/zinc/46/75/12/1378467512.db2.gz CILPFVCDIBCOSZ-JTQLQIEISA-N 0 0 336.355 3.216 10 10 EGCERN C[C@H](OCc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001142727789 1378481650 /nfs/dbraw/zinc/48/16/50/1378481650.db2.gz FNJSKBBNQZKEPC-AWEZNQCLSA-N 0 0 336.391 3.162 10 10 EGCERN COc1ccc2c(ccn2CC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001146233351 1378800898 /nfs/dbraw/zinc/80/08/98/1378800898.db2.gz SWGUDPODXQVQQA-UHFFFAOYSA-N 0 0 344.798 3.325 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1nscc1Br ZINC001146247968 1378802784 /nfs/dbraw/zinc/80/27/84/1378802784.db2.gz QSQXXFXDDUUCIG-UHFFFAOYSA-N 0 0 347.621 3.195 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cc(C)cc(C=O)c1O ZINC001149880786 1379459145 /nfs/dbraw/zinc/45/91/45/1379459145.db2.gz UAGHIYXQKQDPIB-UHFFFAOYSA-N 0 0 327.380 3.271 10 10 EGCERN C[C@@H](NC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)c1ccccc1O ZINC001151892572 1379811786 /nfs/dbraw/zinc/81/17/86/1379811786.db2.gz SOUIMFSYGFOJAK-MRVPVSSYSA-N 0 0 326.274 3.003 10 10 EGCERN CC(=O)c1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccc1F ZINC001157381203 1380860015 /nfs/dbraw/zinc/86/00/15/1380860015.db2.gz CUXRSDRQRPTRKE-UHFFFAOYSA-N 0 0 328.303 3.443 10 10 EGCERN O=C(COc1ccc(Cl)cc1)NCc1cccc(Cl)c1O ZINC001159033752 1381527232 /nfs/dbraw/zinc/52/72/32/1381527232.db2.gz NKMYQNGKYMGVBQ-UHFFFAOYSA-N 0 0 326.179 3.394 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCOC(C)C ZINC001290196251 1382067394 /nfs/dbraw/zinc/06/73/94/1382067394.db2.gz BTEWQWJIYRTQFM-UHFFFAOYSA-N 0 0 342.439 3.452 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)c3cccc(F)c3C)CC2)cc1 ZINC001295275285 1382592560 /nfs/dbraw/zinc/59/25/60/1382592560.db2.gz MZWJXDRKGDRJNM-UHFFFAOYSA-N 0 0 342.414 3.495 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1ccc(Nc2cccnc2)cc1 ZINC001162278969 1382719017 /nfs/dbraw/zinc/71/90/17/1382719017.db2.gz OZZMEUGXZIRQNX-UHFFFAOYSA-N 0 0 335.363 3.166 10 10 EGCERN CC(=O)Nc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1C ZINC001162607445 1382806751 /nfs/dbraw/zinc/80/67/51/1382806751.db2.gz QTIVCXSPJHIHPC-UHFFFAOYSA-N 0 0 349.390 3.137 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2ccc(=O)[nH]c21 ZINC001297563062 1383185330 /nfs/dbraw/zinc/18/53/30/1383185330.db2.gz UWOCTESGPFANFD-UHFFFAOYSA-N 0 0 343.379 3.062 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@H]1CCCC[C@H]1C ZINC001297562266 1383185373 /nfs/dbraw/zinc/18/53/73/1383185373.db2.gz FKVODTQBWGMXCP-CJNGLKHVSA-N 0 0 326.433 3.089 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](O)C1CCCCC1 ZINC001299477893 1383539205 /nfs/dbraw/zinc/53/92/05/1383539205.db2.gz IBUPWZYZEWNHTL-HNAYVOBHSA-N 0 0 332.488 3.049 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnc(C(C)C)[nH]1 ZINC001299479577 1383539611 /nfs/dbraw/zinc/53/96/11/1383539611.db2.gz YFKCNTGKCBCTHC-CQSZACIVSA-N 0 0 328.460 3.269 10 10 EGCERN COc1cccc2c1[C@H](C(=O)NCc1ccc3cccnc3c1O)CC2 ZINC001299724019 1383623759 /nfs/dbraw/zinc/62/37/59/1383623759.db2.gz BDQZTTBYFNULGC-MRXNPFEDSA-N 0 0 348.402 3.295 10 10 EGCERN Cn1nc(Cl)c(C(=O)NCc2cc(Cl)ccc2O)c1Cl ZINC001300395649 1383662460 /nfs/dbraw/zinc/66/24/60/1383662460.db2.gz ADLGDDGGDILYMU-UHFFFAOYSA-N 0 0 334.590 3.016 10 10 EGCERN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C1=CC(=O)CS1 ZINC001301104120 1383696105 /nfs/dbraw/zinc/69/61/05/1383696105.db2.gz DFWYIUIZGKNWQP-QGZVFWFLSA-N 0 0 344.480 3.436 10 10 EGCERN O=C(CSC[C@@H]1CCCCO1)NCc1c(O)ccc2ccccc21 ZINC001304089586 1383828684 /nfs/dbraw/zinc/82/86/84/1383828684.db2.gz CGVINZBRBSUKKT-HNNXBMFYSA-N 0 0 345.464 3.464 10 10 EGCERN CCCN(CC1CC1)c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001306810575 1383905912 /nfs/dbraw/zinc/90/59/12/1383905912.db2.gz JMIHDDDFSLIVRE-UHFFFAOYSA-N 0 0 345.466 3.466 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)(C)[C@@H]3C(C)C)C2)cc1 ZINC001312995536 1384385238 /nfs/dbraw/zinc/38/52/38/1384385238.db2.gz WOUOMFJQTQXEPX-QAPCUYQASA-N 0 0 345.487 3.350 10 10 EGCERN CC[C@@H](CCO)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001313131700 1384397901 /nfs/dbraw/zinc/39/79/01/1384397901.db2.gz AAUNUFXDXSOCIM-KRWDZBQOSA-N 0 0 343.471 3.302 10 10 EGCERN Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)c1ccccc1O ZINC001171730987 1384617086 /nfs/dbraw/zinc/61/70/86/1384617086.db2.gz VPLSBDJIPCTYHA-JTQLQIEISA-N 0 0 340.408 3.105 10 10 EGCERN OC1(c2ccc(F)cc2)CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001330639417 1389479861 /nfs/dbraw/zinc/47/98/61/1389479861.db2.gz QBZZOHLLTJVIOQ-UHFFFAOYSA-N 0 0 326.415 3.129 10 10 EGCERN Cc1cc(CC(=O)NCc2c(C)n[nH]c2C)c(C)n1-c1ccccc1 ZINC001347254921 1391040340 /nfs/dbraw/zinc/04/03/40/1391040340.db2.gz ANKAOORNEXOHRV-UHFFFAOYSA-N 0 0 336.439 3.293 10 10 EGCERN C[C@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001348405997 1391215054 /nfs/dbraw/zinc/21/50/54/1391215054.db2.gz VQZATDMOJATHAB-AWEZNQCLSA-N 0 0 335.398 3.392 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(C(F)F)n(C)n1 ZINC001353920317 1392108306 /nfs/dbraw/zinc/10/83/06/1392108306.db2.gz SPWNTLNOGNFGDT-UHFFFAOYSA-N 0 0 348.397 3.230 10 10 EGCERN CC1(C)CC[C@H](CCNC(=O)NCc2cc(Cl)ccc2O)OC1 ZINC001687735213 1396475616 /nfs/dbraw/zinc/47/56/16/1396475616.db2.gz JPTQGKTWLFGARE-CQSZACIVSA-N 0 0 340.851 3.440 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@H]1CCC=CO1 ZINC001711095681 1417477987 /nfs/dbraw/zinc/47/79/87/1417477987.db2.gz UPOXLYBBBBWZBH-MRXNPFEDSA-N 0 0 340.427 3.190 10 10 EGCERN C[C@@H]1C[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001726490806 1427063903 /nfs/dbraw/zinc/06/39/03/1427063903.db2.gz LUWUOTOYJMKVJX-CZUORRHYSA-N 0 0 326.444 3.229 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCCCCCO ZINC001729419701 1427166438 /nfs/dbraw/zinc/16/64/38/1427166438.db2.gz ZYYSTHUMXGLUCU-UHFFFAOYSA-N 0 0 344.459 3.050 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC=CCO1 ZINC001741334586 1439503341 /nfs/dbraw/zinc/50/33/41/1439503341.db2.gz AFECIOCEDTYEOL-MRXNPFEDSA-N 0 0 342.443 3.089 10 10 EGCERN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCCC1 ZINC001742138829 1439508921 /nfs/dbraw/zinc/50/89/21/1439508921.db2.gz FCUIWKJJRWJCMI-UHFFFAOYSA-N 0 0 325.460 3.178 10 10 EGCERN C[C@@H]1C[C@@H]1n1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001742975385 1439533232 /nfs/dbraw/zinc/53/32/32/1439533232.db2.gz BXUDNRWOMWYSNX-PBHICJAKSA-N 0 0 349.438 3.187 10 10 EGCERN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)OC ZINC001743567201 1439574255 /nfs/dbraw/zinc/57/42/55/1439574255.db2.gz OTNRLCDJYSSMKI-KGLIPLIRSA-N 0 0 332.448 3.169 10 10 EGCERN Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000101236052 219119791 /nfs/dbraw/zinc/11/97/91/219119791.db2.gz PEGWMPURIUOSMG-ZDUSSCGKSA-N 0 0 325.412 3.088 10 10 EGCERN CC[C@@H](Oc1ccc(N)cc1)C(=O)c1ccc(OC)c(OC)c1OC ZINC000040353963 213292405 /nfs/dbraw/zinc/29/24/05/213292405.db2.gz AOELSEZFXYLYNJ-OAHLLOKOSA-N 0 0 345.395 3.335 10 10 EGCERN Cc1ccc(NC2=NC(=O)C(=C3c4ccccc4NC3=O)S2)cc1 ZINC000003187708 280915561 /nfs/dbraw/zinc/91/55/61/280915561.db2.gz ZCOOFNROYAPXKR-PFONDFGASA-N 0 0 335.388 3.400 10 10 EGCERN O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1C1CC1 ZINC000008129878 453165010 /nfs/dbraw/zinc/16/50/10/453165010.db2.gz FPJIFRNAFHXRQD-FQEVSTJZSA-N 0 0 349.434 3.252 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1 ZINC000017743826 453637333 /nfs/dbraw/zinc/63/73/33/453637333.db2.gz LPUOROPWQUUYIN-UHFFFAOYSA-N 0 0 325.412 3.187 10 10 EGCERN Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)NC2=S)cc1 ZINC000033309418 453914094 /nfs/dbraw/zinc/91/40/94/453914094.db2.gz VIHSMGKUDVAWDM-SFQUDFHCSA-N 0 0 337.448 3.323 10 10 EGCERN CN(Cc1csc(Br)c1)C(=O)Cc1ccc(N)cc1 ZINC000042359928 454007998 /nfs/dbraw/zinc/00/79/98/454007998.db2.gz YXJFJWIUKPGZKK-UHFFFAOYSA-N 0 0 339.258 3.294 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(-c2cccnc2)on1 ZINC000266452119 455428810 /nfs/dbraw/zinc/42/88/10/455428810.db2.gz DDQSFPWVJPOTMP-UHFFFAOYSA-N 0 0 349.390 3.251 10 10 EGCERN C[C@H](COc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000120900220 454362764 /nfs/dbraw/zinc/36/27/64/454362764.db2.gz HHFNACZEQPZLKT-OAHLLOKOSA-N 0 0 340.423 3.193 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000064580963 454493085 /nfs/dbraw/zinc/49/30/85/454493085.db2.gz XRHGWNQKUREDCT-UHFFFAOYSA-N 0 0 338.386 3.007 10 10 EGCERN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000102393265 454502838 /nfs/dbraw/zinc/50/28/38/454502838.db2.gz YZZUSTGJGOYIEQ-INIZCTEOSA-N 0 0 329.444 3.429 10 10 EGCERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000104853232 454607838 /nfs/dbraw/zinc/60/78/38/454607838.db2.gz LYBZXVNRYHYLGI-CQSZACIVSA-N 0 0 336.432 3.044 10 10 EGCERN CCOc1ccc(O)c(CN2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000092790266 454633657 /nfs/dbraw/zinc/63/36/57/454633657.db2.gz DDYAKLGUSVMPDJ-INIZCTEOSA-N 0 0 334.441 3.129 10 10 EGCERN COc1cccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1O ZINC000092812168 454637570 /nfs/dbraw/zinc/63/75/70/454637570.db2.gz VMRSMFIOLZKCSE-HNNXBMFYSA-N 0 0 342.443 3.056 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)C1CCC(C(=O)OC)CC1 ZINC000179521892 455055204 /nfs/dbraw/zinc/05/52/04/455055204.db2.gz DPVWKYKQLBMLJT-UHFFFAOYSA-N 0 0 333.428 3.110 10 10 EGCERN CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156504914 455125807 /nfs/dbraw/zinc/12/58/07/455125807.db2.gz BTHSFEFFSHAGSD-CABZTGNLSA-N 0 0 341.242 3.346 10 10 EGCERN COCC(=O)N1CCc2c1cccc2NCc1cc(Cl)ccc1O ZINC000184128305 455355417 /nfs/dbraw/zinc/35/54/17/455355417.db2.gz JJVJBRGEUSJBKF-UHFFFAOYSA-N 0 0 346.814 3.193 10 10 EGCERN COC(=O)c1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000265975802 455419020 /nfs/dbraw/zinc/41/90/20/455419020.db2.gz BNSWEFMWIWXBAD-UHFFFAOYSA-N 0 0 349.383 3.037 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1CN1CCO[C@H](c2nccs2)C1 ZINC000191305512 455475783 /nfs/dbraw/zinc/47/57/83/455475783.db2.gz COJDSKAVUXHSRZ-LBPRGKRZSA-N 0 0 328.796 3.215 10 10 EGCERN CCN(CC)c1ccc(CN2CCO[C@@H](c3cnn(CC)c3)C2)cc1 ZINC000191717020 455512858 /nfs/dbraw/zinc/51/28/58/455512858.db2.gz JIZWGVNWLWMBSQ-HXUWFJFHSA-N 0 0 342.487 3.323 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000268145340 455601387 /nfs/dbraw/zinc/60/13/87/455601387.db2.gz KDESWFXJGWMTLU-QGZVFWFLSA-N 0 0 340.471 3.333 10 10 EGCERN Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccnc(C2CC2)n1 ZINC000271409907 455626710 /nfs/dbraw/zinc/62/67/10/455626710.db2.gz KAWDLTRUQWKRLQ-INIZCTEOSA-N 0 0 325.412 3.245 10 10 EGCERN COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000248530506 455719010 /nfs/dbraw/zinc/71/90/10/455719010.db2.gz XLQXMUSSKWUIDE-DCPHZVHLSA-N 0 0 326.440 3.497 10 10 EGCERN C[C@@]12CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]1C2(F)F ZINC000292681931 455730807 /nfs/dbraw/zinc/73/08/07/455730807.db2.gz ASOCVBMRLMSLSY-WCQYABFASA-N 0 0 332.734 3.431 10 10 EGCERN COc1cccc(Cl)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186435446 455767736 /nfs/dbraw/zinc/76/77/36/455767736.db2.gz HHJCPTVZPQEGDW-LLVKDONJSA-N 0 0 349.814 3.050 10 10 EGCERN CC1([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)OCCO1 ZINC000293499442 455788923 /nfs/dbraw/zinc/78/89/23/455788923.db2.gz BJNJMAPERCBAHU-GFCCVEGCSA-N 0 0 329.799 3.160 10 10 EGCERN O=C(NC1CC1)c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000294323472 455811669 /nfs/dbraw/zinc/81/16/69/455811669.db2.gz RCWDTDUZXCSLMF-UHFFFAOYSA-N 0 0 348.805 3.367 10 10 EGCERN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c(F)ccc(O)c1[O-] ZINC000295367853 455846902 /nfs/dbraw/zinc/84/69/02/455846902.db2.gz JPBVXASQSLOSMG-UHFFFAOYSA-N 0 0 330.359 3.085 10 10 EGCERN CNC(=O)COc1ccc(NCc2cc(Cl)cc(C)c2O)c(C)c1 ZINC000280284608 455936923 /nfs/dbraw/zinc/93/69/23/455936923.db2.gz NSJGAGYHXSTTNQ-UHFFFAOYSA-N 0 0 348.830 3.399 10 10 EGCERN C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1[O-] ZINC000187755568 455948448 /nfs/dbraw/zinc/94/84/48/455948448.db2.gz VCXUVHSGGQOXRZ-QWRGUYRKSA-N 0 0 337.345 3.134 10 10 EGCERN C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187766620 455949626 /nfs/dbraw/zinc/94/96/26/455949626.db2.gz MHWMIRFNCQBPHM-ZWNOBZJWSA-N 0 0 332.350 3.447 10 10 EGCERN COc1ccc(N2CCN(Cc3ncc(C4CC4)o3)CC2)cc1F ZINC000270675609 456012609 /nfs/dbraw/zinc/01/26/09/456012609.db2.gz XXISFIUJWZZGFH-UHFFFAOYSA-N 0 0 331.391 3.022 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccnc2ccncc21 ZINC000288996758 456111741 /nfs/dbraw/zinc/11/17/41/456111741.db2.gz ZDIOQGSPGUCZLS-UHFFFAOYSA-N 0 0 333.391 3.144 10 10 EGCERN Fc1cccc2c(NCc3ccc(N4CCOCC4)cc3)ncnc12 ZINC000302698831 456378191 /nfs/dbraw/zinc/37/81/91/456378191.db2.gz UFWADKPPFGMTRW-UHFFFAOYSA-N 0 0 338.386 3.218 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000282444953 456516661 /nfs/dbraw/zinc/51/66/61/456516661.db2.gz IIGBPKUCKANKAK-HNNXBMFYSA-N 0 0 327.428 3.364 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1cnn2ccc(C)nc12 ZINC000282574317 456557581 /nfs/dbraw/zinc/55/75/81/456557581.db2.gz VKOOOLDFZNOLBA-UHFFFAOYSA-N 0 0 338.411 3.186 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H]3CCOC3)ccc21 ZINC000344286203 456812802 /nfs/dbraw/zinc/81/28/02/456812802.db2.gz LVLZJPANOFAEQC-INIZCTEOSA-N 0 0 344.455 3.061 10 10 EGCERN Cn1ccc([C@H](NCc2ccc3c(c2)CCO3)c2ccc(F)cc2)n1 ZINC000374520147 457647982 /nfs/dbraw/zinc/64/79/82/457647982.db2.gz IHPSSYJTTQWXMB-HXUWFJFHSA-N 0 0 337.398 3.373 10 10 EGCERN CCOc1ccc(O)c(CN2CCc3nc(C(C)C)ncc3C2)c1 ZINC000527620233 459672107 /nfs/dbraw/zinc/67/21/07/459672107.db2.gz ZLEMNVJWUDFBAD-UHFFFAOYSA-N 0 0 327.428 3.263 10 10 EGCERN Cn1cc(-c2c[nH]cc2C(=O)N2CC(C)(C)c3ccc(F)cc32)cn1 ZINC000652767067 461350149 /nfs/dbraw/zinc/35/01/49/461350149.db2.gz ASBIPXZBAWKFOU-UHFFFAOYSA-N 0 0 338.386 3.492 10 10 EGCERN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cncnc1 ZINC000357711470 547740219 /nfs/dbraw/zinc/74/02/19/547740219.db2.gz WHEFRBWCWVVTFK-WZUFQYTHSA-N 0 0 344.296 3.150 10 10 EGCERN C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)n1cccc1 ZINC000729285930 574835985 /nfs/dbraw/zinc/83/59/85/574835985.db2.gz UCZWXPJBNADKMR-INIZCTEOSA-N 0 0 343.496 3.309 10 10 EGCERN COC(=O)CCS(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000731036475 575046016 /nfs/dbraw/zinc/04/60/16/575046016.db2.gz MGULODGEXOBZFK-UHFFFAOYSA-N 0 0 347.396 3.407 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cccc(-n2cncn2)c1 ZINC000734548152 575515898 /nfs/dbraw/zinc/51/58/98/575515898.db2.gz ZZJNSFLAGFPUAV-UHFFFAOYSA-N 0 0 336.395 3.025 10 10 EGCERN Fc1cccc(NNC(=S)Nc2ccc3c(c2)OCCO3)c1F ZINC000743004410 576799525 /nfs/dbraw/zinc/79/95/25/576799525.db2.gz JGNMQEQOMHCHRG-UHFFFAOYSA-N 0 0 337.351 3.050 10 10 EGCERN CN(C)c1ccc(CNS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000033904454 1291388191 /nfs/dbraw/zinc/38/81/91/1291388191.db2.gz PPDRWZPPHUHGIW-UHFFFAOYSA-N 0 0 340.448 3.384 10 10 EGCERN Nc1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000040675699 1291410630 /nfs/dbraw/zinc/41/06/30/1291410630.db2.gz NWPXDHYYKYZBHY-UHFFFAOYSA-N 0 0 345.251 3.097 10 10 EGCERN COc1ccc(F)c(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000088409059 1292750567 /nfs/dbraw/zinc/75/05/67/1292750567.db2.gz HBMXIUSJZPBBRT-JTQLQIEISA-N 0 0 334.347 3.431 10 10 EGCERN O=C(c1cccs1)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000119103877 1293254513 /nfs/dbraw/zinc/25/45/13/1293254513.db2.gz UWEONWRNOSBKCV-UHFFFAOYSA-N 0 0 336.844 3.065 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000160542645 1294271377 /nfs/dbraw/zinc/27/13/77/1294271377.db2.gz XSFDJMDABFXBIQ-UHFFFAOYSA-N 0 0 348.830 3.404 10 10 EGCERN COC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000171461855 1294407734 /nfs/dbraw/zinc/40/77/34/1294407734.db2.gz KSEQZXLPBSGLFJ-KRWDZBQOSA-N 0 0 340.423 3.119 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000173581821 1294466678 /nfs/dbraw/zinc/46/66/78/1294466678.db2.gz IIPDKKZQJFYUCB-ZFWWWQNUSA-N 0 0 333.334 3.099 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3ccc(F)cc3C)CC2)cc1 ZINC000178868324 1294758871 /nfs/dbraw/zinc/75/88/71/1294758871.db2.gz DAZCGAPGQLVURW-UHFFFAOYSA-N 0 0 328.387 3.105 10 10 EGCERN CC(C)(C)OC1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000870491285 1295902593 /nfs/dbraw/zinc/90/25/93/1295902593.db2.gz NSKFNXJUWMVERO-VZUCSPMQSA-N 0 0 333.428 3.354 10 10 EGCERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199277 1296268366 /nfs/dbraw/zinc/26/83/66/1296268366.db2.gz VAJIWKPKMQEASU-LRDDRELGSA-N 0 0 336.391 3.143 10 10 EGCERN O=C(CCc1ccc(OC(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC000871198574 1296268615 /nfs/dbraw/zinc/26/86/15/1296268615.db2.gz JUOXQRFTERQGOM-UHFFFAOYSA-N 0 0 333.334 3.469 10 10 EGCERN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1Cc2cccc(O)c2C1 ZINC000871197961 1296268761 /nfs/dbraw/zinc/26/87/61/1296268761.db2.gz BHWGWZJBYXDDLB-UHFFFAOYSA-N 0 0 345.782 3.363 10 10 EGCERN CN(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1Cl ZINC000871202304 1296271500 /nfs/dbraw/zinc/27/15/00/1296271500.db2.gz CWSYMXJJCGEQNS-KRWDZBQOSA-N 0 0 348.805 3.330 10 10 EGCERN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[C@@H]1OCCc2sccc21 ZINC000871205182 1296272409 /nfs/dbraw/zinc/27/24/09/1296272409.db2.gz QMGRXYZCMSWIGH-DIFFPNOSSA-N 0 0 329.421 3.246 10 10 EGCERN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724842002 1298350888 /nfs/dbraw/zinc/35/08/88/1298350888.db2.gz JLGGGHNAZUWRJQ-ZANVPECISA-N 0 0 346.652 3.419 10 10 EGCERN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NCc1cccc(Cl)c1O ZINC000893064670 1305687132 /nfs/dbraw/zinc/68/71/32/1305687132.db2.gz FGKRIHQLWHLGTG-HNNXBMFYSA-N 0 0 346.818 3.021 10 10 EGCERN COC(=O)c1c(CNCc2nc(C)cs2)c2cc(F)ccc2n1C ZINC000894165488 1306256716 /nfs/dbraw/zinc/25/67/16/1306256716.db2.gz LLTGAZGDGLZBCJ-UHFFFAOYSA-N 0 0 347.415 3.159 10 10 EGCERN COC(=O)CCCCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000894760703 1309055729 /nfs/dbraw/zinc/05/57/29/1309055729.db2.gz JLNFBULRNJDFRL-UHFFFAOYSA-N 0 0 348.212 3.117 10 10 EGCERN COC(=O)c1c(C[NH2+]Cc2ccnc(C)c2)c2cc(F)ccc2n1C ZINC000894874351 1309110900 /nfs/dbraw/zinc/11/09/00/1309110900.db2.gz PUEZYAHHCHUXRI-UHFFFAOYSA-N 0 0 341.386 3.097 10 10 EGCERN Oc1cccc(Br)c1CN1CCc2nc[nH]c2C12CCC2 ZINC000895069141 1309177591 /nfs/dbraw/zinc/17/75/91/1309177591.db2.gz RSQNOLQDXSYSCF-UHFFFAOYSA-N 0 0 348.244 3.315 10 10 EGCERN CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000895577048 1309410156 /nfs/dbraw/zinc/41/01/56/1309410156.db2.gz GFEOKKIVQAYDRU-LBPRGKRZSA-N 0 0 327.705 3.338 10 10 EGCERN O=C(C[C@@H]1CCC2(CCC2)O1)NCCCSc1nccs1 ZINC000896335787 1309810052 /nfs/dbraw/zinc/81/00/52/1309810052.db2.gz YIHOMXZNPOWFNI-LBPRGKRZSA-N 0 0 326.487 3.233 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2cn[nH]c2)CC1 ZINC000896445909 1309862983 /nfs/dbraw/zinc/86/29/83/1309862983.db2.gz VJCQQVQPNHOHRM-UHFFFAOYSA-N 0 0 343.408 3.055 10 10 EGCERN C[C@]12CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@H]1C2(F)F ZINC000897820398 1310479921 /nfs/dbraw/zinc/47/99/21/1310479921.db2.gz QOWMUAJKFNQXHQ-HIFRSBDPSA-N 0 0 339.363 3.430 10 10 EGCERN CC(C)[C@@]1(CO)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897858714 1310493931 /nfs/dbraw/zinc/49/39/31/1310493931.db2.gz ZWMSCEMXSSPRGU-SFHVURJKSA-N 0 0 349.452 3.183 10 10 EGCERN CO[C@H]1C[C@@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000897920050 1310516092 /nfs/dbraw/zinc/51/60/92/1310516092.db2.gz UOXBVFINHJMTGZ-CVEARBPZSA-N 0 0 347.436 3.342 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncc(C=O)c1 ZINC000929540830 1328629846 /nfs/dbraw/zinc/62/98/46/1328629846.db2.gz ODJQSMVNALQUHE-UHFFFAOYSA-N 0 0 337.423 3.157 10 10 EGCERN C[C@@H](NC(=O)c1cn2c(n1)CC[C@@H](C)C2)c1ccc(N(C)C)cc1 ZINC000857950661 1328638197 /nfs/dbraw/zinc/63/81/97/1328638197.db2.gz JWHKZYZTEJNBKW-ZIAGYGMSSA-N 0 0 326.444 3.022 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCn2cncc21 ZINC000857988030 1328649362 /nfs/dbraw/zinc/64/93/62/1328649362.db2.gz ARPCYFGQWQMNHD-KRWDZBQOSA-N 0 0 334.423 3.474 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CC[C@H](Oc3ccc(C)cn3)C2)c1O ZINC000858036226 1328667559 /nfs/dbraw/zinc/66/75/59/1328667559.db2.gz NITVLGMSCKRPOP-INIZCTEOSA-N 0 0 344.386 3.091 10 10 EGCERN Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000858189572 1328707490 /nfs/dbraw/zinc/70/74/90/1328707490.db2.gz OVQYAXYQSRAJDB-ZBFHGGJFSA-N 0 0 334.213 3.423 10 10 EGCERN COc1ccc(N(CCc2nnc(C)o2)Cc2ccco2)cc1F ZINC000929992365 1328759387 /nfs/dbraw/zinc/75/93/87/1328759387.db2.gz SQIRRDPUJFDMCG-UHFFFAOYSA-N 0 0 331.347 3.368 10 10 EGCERN CC[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858435399 1328761999 /nfs/dbraw/zinc/76/19/99/1328761999.db2.gz HJOCPSFPLXJKPR-QWHCGFSZSA-N 0 0 344.242 3.207 10 10 EGCERN Cc1cccc2c1C[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000858460066 1328767946 /nfs/dbraw/zinc/76/79/46/1328767946.db2.gz RTTVFYVJPRIJOP-OLZOCXBDSA-N 0 0 328.368 3.263 10 10 EGCERN Cc1cc(N(C)C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)ccc1O ZINC000913525960 1319055051 /nfs/dbraw/zinc/05/50/51/1319055051.db2.gz QHUJBTCMMQFAOI-AWEZNQCLSA-N 0 0 346.427 3.277 10 10 EGCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC3(CCC3)O2)cc1 ZINC000913926886 1319179051 /nfs/dbraw/zinc/17/90/51/1319179051.db2.gz OZCLPZAOMTWRBG-KRWDZBQOSA-N 0 0 331.460 3.044 10 10 EGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCC12CC2 ZINC000859460093 1328991950 /nfs/dbraw/zinc/99/19/50/1328991950.db2.gz LOIACGDORMHBRO-IBGZPJMESA-N 0 0 342.483 3.092 10 10 EGCERN CCOCc1cc(CNCc2nc3c(s2)COCC3)ccc1OC ZINC000922965390 1322664066 /nfs/dbraw/zinc/66/40/66/1322664066.db2.gz PUPWZHGAKAAIDQ-UHFFFAOYSA-N 0 0 348.468 3.051 10 10 EGCERN CCC1(C(=O)NCc2cc(NC(=O)C3(CC)CC3)ccc2O)CC1 ZINC000923118497 1322696141 /nfs/dbraw/zinc/69/61/41/1322696141.db2.gz FPODCFOLDJSEPI-UHFFFAOYSA-N 0 0 330.428 3.327 10 10 EGCERN CNc1ccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000859735951 1329067177 /nfs/dbraw/zinc/06/71/77/1329067177.db2.gz ZRCHWKBFEIGXQJ-INIZCTEOSA-N 0 0 340.427 3.137 10 10 EGCERN COc1ccc(N2CCN(C(=O)C[C@H](C)C(F)(F)F)CC2)cc1F ZINC000859965770 1329120165 /nfs/dbraw/zinc/12/01/65/1329120165.db2.gz GICQUWOWUFBPNH-NSHDSACASA-N 0 0 348.340 3.071 10 10 EGCERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000925114287 1325050701 /nfs/dbraw/zinc/05/07/01/1325050701.db2.gz MYDRJNLSXMISLK-FIXIBIHLSA-N 0 0 348.830 3.102 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC1CC=CC1 ZINC000925235357 1325090851 /nfs/dbraw/zinc/09/08/51/1325090851.db2.gz TYNOTLANRWEYEZ-UHFFFAOYSA-N 0 0 334.803 3.166 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000927063753 1327836898 /nfs/dbraw/zinc/83/68/98/1327836898.db2.gz JCQBQZVQPGQXMJ-WBMJQRKESA-N 0 0 326.396 3.302 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000927619182 1328082108 /nfs/dbraw/zinc/08/21/08/1328082108.db2.gz PZOJQORLFPHADI-INIZCTEOSA-N 0 0 347.503 3.488 10 10 EGCERN O=C(NC[C@]12C[C@H]1CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000927697881 1328109800 /nfs/dbraw/zinc/10/98/00/1328109800.db2.gz OMVVZMLADOQBBH-HLIPFELVSA-N 0 0 344.455 3.273 10 10 EGCERN Cn1cc(C(=O)NCc2c(O)cccc2F)c(C2CCCCC2)n1 ZINC000928711189 1328405786 /nfs/dbraw/zinc/40/57/86/1328405786.db2.gz GTGHVWFWIBNHQO-UHFFFAOYSA-N 0 0 331.391 3.243 10 10 EGCERN CC[C@@H](C)CC[C@H](O)CC(=O)NCc1ccc2cccnc2c1O ZINC000862026455 1329455843 /nfs/dbraw/zinc/45/58/43/1329455843.db2.gz OOORSNOOUYIKDM-CJNGLKHVSA-N 0 0 330.428 3.134 10 10 EGCERN CCOC(=O)c1cccc(CN2CCCc3cc(OC)ccc32)n1 ZINC000862303855 1329475036 /nfs/dbraw/zinc/47/50/36/1329475036.db2.gz BGGQOAJTAIOVNN-UHFFFAOYSA-N 0 0 326.396 3.220 10 10 EGCERN Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1cc(C)ccc1O ZINC000862756004 1329506686 /nfs/dbraw/zinc/50/66/86/1329506686.db2.gz PECPDJGHZHKPLM-ZDUSSCGKSA-N 0 0 346.452 3.290 10 10 EGCERN Cc1cc(C(=O)N2CCO[C@@H](CCF)C2)c(C)n1-c1ccc(F)cc1 ZINC000863079353 1329528295 /nfs/dbraw/zinc/52/82/95/1329528295.db2.gz KQYZYRTXPKSKPF-KRWDZBQOSA-N 0 0 348.393 3.434 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2c(Cl)n[nH]c2C2CC2)cc1 ZINC000864632948 1329632595 /nfs/dbraw/zinc/63/25/95/1329632595.db2.gz UUNUDKSABRYWGU-UHFFFAOYSA-N 0 0 332.835 3.279 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2cnn(CC3CCCC3)c2)cc1 ZINC000864633801 1329632613 /nfs/dbraw/zinc/63/26/13/1329632613.db2.gz LWGOQUQGWRDYCQ-UHFFFAOYSA-N 0 0 340.471 3.412 10 10 EGCERN CCOCCCCCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000865116836 1329670519 /nfs/dbraw/zinc/67/05/19/1329670519.db2.gz ZBRBCLBWSKAYKD-UHFFFAOYSA-N 0 0 348.487 3.377 10 10 EGCERN Cn1c2ccncc2nc1NCc1ccc(N2CCSCC2)cc1 ZINC000865450450 1329698954 /nfs/dbraw/zinc/69/89/54/1329698954.db2.gz BTQARGGSTOTOBG-UHFFFAOYSA-N 0 0 339.468 3.134 10 10 EGCERN COc1ccc(N2CC[C@@H](CNc3ncc(F)cc3[N+](=O)[O-])C2)cc1 ZINC000865888078 1329749104 /nfs/dbraw/zinc/74/91/04/1329749104.db2.gz GSEBVXQQFRUSFV-LBPRGKRZSA-N 0 0 346.362 3.076 10 10 EGCERN COc1cccc(CNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)c1O ZINC000934940338 1330019097 /nfs/dbraw/zinc/01/90/97/1330019097.db2.gz LQACBNJLWIYYBX-SJORKVTESA-N 0 0 325.408 3.286 10 10 EGCERN CCOC(=O)c1nc(N2Cc3cccc(O)c3C2)cc(C(C)(C)C)n1 ZINC000866118155 1330067401 /nfs/dbraw/zinc/06/74/01/1330067401.db2.gz XOWGKQGBPHPYHQ-UHFFFAOYSA-N 0 0 341.411 3.177 10 10 EGCERN C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000866496031 1330118672 /nfs/dbraw/zinc/11/86/72/1330118672.db2.gz LPJBETGSJIPHLI-VIFPVBQESA-N 0 0 339.226 3.028 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000866528889 1330122348 /nfs/dbraw/zinc/12/23/48/1330122348.db2.gz JZKIXMTUKXNLMH-ZFWWWQNUSA-N 0 0 333.428 3.036 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)[C@H](Cc1cccnc1)C1CCCC1 ZINC000866769445 1330147840 /nfs/dbraw/zinc/14/78/40/1330147840.db2.gz KUPNKPHHCJSOQQ-QGZVFWFLSA-N 0 0 340.423 3.158 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(C(C)(C)C)cs1 ZINC000867302754 1330192596 /nfs/dbraw/zinc/19/25/96/1330192596.db2.gz USYQXKGYZIXAMH-JTQLQIEISA-N 0 0 334.441 3.213 10 10 EGCERN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)Oc1cccc(F)c1 ZINC000868317717 1330270128 /nfs/dbraw/zinc/27/01/28/1330270128.db2.gz PQCVKRODVFGELP-STQMWFEESA-N 0 0 332.375 3.359 10 10 EGCERN CCOc1ccc(N2CCN([C@H](C)c3cnc(C)cn3)CC2)cc1 ZINC001324111477 1387543921 /nfs/dbraw/zinc/54/39/21/1387543921.db2.gz CNDQDWUYIDAQEQ-MRXNPFEDSA-N 0 0 326.444 3.067 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCC[C@H]2c2ccccn2)cc1OC ZINC001185036955 1387593438 /nfs/dbraw/zinc/59/34/38/1387593438.db2.gz RXWNPHFNRLXUEB-ZDUSSCGKSA-N 0 0 329.356 3.349 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@]23CCOC3)c(C)n1-c1ccc(F)cc1 ZINC001117998734 1371118734 /nfs/dbraw/zinc/11/87/34/1371118734.db2.gz CMAZNJGSPRPBNB-IBGZPJMESA-N 0 0 328.387 3.238 10 10 EGCERN O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[C@@H](F)C1 ZINC001118093124 1371131069 /nfs/dbraw/zinc/13/10/69/1371131069.db2.gz MUAJGMOABAUQLQ-MWLCHTKSSA-N 0 0 330.197 3.299 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC[C@@H](F)C3)C2)cc1 ZINC001326170211 1388122781 /nfs/dbraw/zinc/12/27/81/1388122781.db2.gz OOPOBZBNYXEAHY-OWCLPIDISA-N 0 0 334.435 3.166 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cncc(C(C)=O)c2)cc1F ZINC001119527822 1371362519 /nfs/dbraw/zinc/36/25/19/1371362519.db2.gz RJCONQZINJOIMS-UHFFFAOYSA-N 0 0 343.402 3.200 10 10 EGCERN CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC001124100160 1372672413 /nfs/dbraw/zinc/67/24/13/1372672413.db2.gz VPBAUPHQWPFUNT-ZDUSSCGKSA-N 0 0 343.427 3.069 10 10 EGCERN CCc1nnc(C)cc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124623668 1372717463 /nfs/dbraw/zinc/71/74/63/1372717463.db2.gz WKJMGBSGAYNGDT-UHFFFAOYSA-N 0 0 338.455 3.220 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2ccc3cnccc3c2)cc1 ZINC001130544510 1373557543 /nfs/dbraw/zinc/55/75/43/1373557543.db2.gz PYHRTAVWPTVOBF-UHFFFAOYSA-N 0 0 349.434 3.452 10 10 EGCERN CC[C@H](C)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032151 1375107618 /nfs/dbraw/zinc/10/76/18/1375107618.db2.gz LZAVVAQIHNTJBN-LSDHHAIUSA-N 0 0 334.460 3.035 10 10 EGCERN Cc1cc(CNC(=O)NC[C@@H](O)C(C)C)c(C)n1-c1cccc(C)c1 ZINC001234327329 1376811221 /nfs/dbraw/zinc/81/12/21/1376811221.db2.gz PHENAERAGAVXRN-LJQANCHMSA-N 0 0 343.471 3.219 10 10 EGCERN CCCn1ncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001135800935 1377214362 /nfs/dbraw/zinc/21/43/62/1377214362.db2.gz WMLPOZCHTATTGC-UHFFFAOYSA-N 0 0 340.471 3.474 10 10 EGCERN CC1=NO[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 ZINC001136446504 1377393523 /nfs/dbraw/zinc/39/35/23/1377393523.db2.gz LBPKQJWZXNKIHP-SFHVURJKSA-N 0 0 329.444 3.237 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)NC1(c2ccc(F)cc2)CCCC1 ZINC001136611207 1377408224 /nfs/dbraw/zinc/40/82/24/1377408224.db2.gz DTTCEGAYKVPURZ-UHFFFAOYSA-N 0 0 329.371 3.365 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccnn2CC(C)C)cc1F ZINC001136730186 1377418184 /nfs/dbraw/zinc/41/81/84/1377418184.db2.gz GBRSASGOIDYPPW-UHFFFAOYSA-N 0 0 346.450 3.454 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)cc1F ZINC001137423179 1377546192 /nfs/dbraw/zinc/54/61/92/1377546192.db2.gz XCGYMAKYLQQTRS-HUUCEWRRSA-N 0 0 334.435 3.165 10 10 EGCERN CCOC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2O)c1 ZINC001137471608 1377554037 /nfs/dbraw/zinc/55/40/37/1377554037.db2.gz SOOFGTGNYMRAST-UHFFFAOYSA-N 0 0 332.331 3.030 10 10 EGCERN CCCCN1CCc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc21 ZINC001137528202 1377561864 /nfs/dbraw/zinc/56/18/64/1377561864.db2.gz LVZHXFOZJIWNHC-UHFFFAOYSA-N 0 0 340.423 3.442 10 10 EGCERN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(O)c1O)[C@H]2C ZINC001138144688 1377684984 /nfs/dbraw/zinc/68/49/84/1377684984.db2.gz GHKNHJDXAKQNOF-NEPJUHHUSA-N 0 0 327.380 3.254 10 10 EGCERN CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001141731868 1378367738 /nfs/dbraw/zinc/36/77/38/1378367738.db2.gz HAXDJMKOZNHARL-CYBMUJFWSA-N 0 0 329.396 3.305 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(CC)cc1Cl ZINC001142410991 1378440740 /nfs/dbraw/zinc/44/07/40/1378440740.db2.gz ZACABYYYPKSAES-UHFFFAOYSA-N 0 0 334.851 3.285 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C2CC2)[nH]c1=O ZINC001142416785 1378441380 /nfs/dbraw/zinc/44/13/80/1378441380.db2.gz HDLVKLCMPVWRIJ-UHFFFAOYSA-N 0 0 339.439 3.393 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001142690099 1378478460 /nfs/dbraw/zinc/47/84/60/1378478460.db2.gz HMGDWIFXPVZVQG-GJZGRUSLSA-N 0 0 347.455 3.356 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(F)ccc1N1CCCCC1 ZINC001143218697 1378562830 /nfs/dbraw/zinc/56/28/30/1378562830.db2.gz XDQDCULNLLVEPI-UHFFFAOYSA-N 0 0 344.386 3.408 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)COC(=O)N2 ZINC001146247303 1378802710 /nfs/dbraw/zinc/80/27/10/1378802710.db2.gz JKJWTMGNYAPEDS-UHFFFAOYSA-N 0 0 332.743 3.038 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)c3sccc3F)CC2)cc1 ZINC001327851468 1388606060 /nfs/dbraw/zinc/60/60/60/1388606060.db2.gz RWTSGPFMTNSLFH-UHFFFAOYSA-N 0 0 334.416 3.248 10 10 EGCERN O=Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccc1F ZINC001150387483 1379544317 /nfs/dbraw/zinc/54/43/17/1379544317.db2.gz PYCIYRBEWHCFMC-UHFFFAOYSA-N 0 0 327.355 3.153 10 10 EGCERN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cn2)n1 ZINC001151891903 1379811703 /nfs/dbraw/zinc/81/17/03/1379811703.db2.gz DMRYQGHAYOABGQ-AWEZNQCLSA-N 0 0 336.395 3.081 10 10 EGCERN CCc1nc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)n[nH]1 ZINC001151892670 1379812106 /nfs/dbraw/zinc/81/21/06/1379812106.db2.gz VMMYLNHBKNFEEA-LBPRGKRZSA-N 0 0 336.395 3.231 10 10 EGCERN C[C@H](NC(=O)Cc1c[nH]c2cnc(Cl)cc12)c1ccccc1O ZINC001151900340 1379812818 /nfs/dbraw/zinc/81/28/18/1379812818.db2.gz NXJMGMXSISBYHW-JTQLQIEISA-N 0 0 329.787 3.342 10 10 EGCERN CCc1ccc2c(c1)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CCO2 ZINC001153837985 1380141312 /nfs/dbraw/zinc/14/13/12/1380141312.db2.gz MKIWZMJABQSBQG-SBSDFTTDSA-N 0 0 339.391 3.313 10 10 EGCERN CC(C)CCOc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001153879687 1380148282 /nfs/dbraw/zinc/14/82/82/1380148282.db2.gz UXTVKDYETNJNNR-UHFFFAOYSA-N 0 0 329.396 3.453 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1cc(F)c(C(F)(F)F)cc1F ZINC001153886177 1380149546 /nfs/dbraw/zinc/14/95/46/1380149546.db2.gz ZHCFCCHZNKSWTD-UHFFFAOYSA-N 0 0 347.239 3.325 10 10 EGCERN COc1ccc(N2CCN(C(=O)C(C)(C)CC(C)C)CC2)c(OC)c1 ZINC001287477943 1381220671 /nfs/dbraw/zinc/22/06/71/1381220671.db2.gz IJKDPLFIKJTVFE-UHFFFAOYSA-N 0 0 348.487 3.425 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1ncc2ccccc2c1O ZINC001159041530 1381536473 /nfs/dbraw/zinc/53/64/73/1381536473.db2.gz QRPKDCRVGACWER-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)NCCCCOc1ccc(Cl)cc1 ZINC001290405355 1382090342 /nfs/dbraw/zinc/09/03/42/1382090342.db2.gz QEVNNBSZHDPCNG-UHFFFAOYSA-N 0 0 349.814 3.269 10 10 EGCERN CN(C)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1C=O ZINC001291765551 1382152415 /nfs/dbraw/zinc/15/24/15/1382152415.db2.gz CZMZUWAZTBVGOE-UHFFFAOYSA-N 0 0 337.423 3.418 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N(CCc1cccc(F)c1)C1CC1 ZINC001293607212 1382314044 /nfs/dbraw/zinc/31/40/44/1382314044.db2.gz QXLHHDUIRQEECA-UHFFFAOYSA-N 0 0 329.371 3.013 10 10 EGCERN Cn1cc(Cl)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC001294672712 1382483248 /nfs/dbraw/zinc/48/32/48/1382483248.db2.gz UAJRHBGYCFEVKN-UHFFFAOYSA-N 0 0 345.786 3.215 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(SC(F)(F)F)o1 ZINC001294868556 1382517285 /nfs/dbraw/zinc/51/72/85/1382517285.db2.gz BKYCHSLTVZSQBV-UHFFFAOYSA-N 0 0 333.287 3.233 10 10 EGCERN CCOc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc(C)n1 ZINC001162216733 1382659324 /nfs/dbraw/zinc/65/93/24/1382659324.db2.gz ZOVUPBXGDAQQJW-UHFFFAOYSA-N 0 0 326.444 3.419 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NN2CCCCC2)c1 ZINC001295979630 1382889584 /nfs/dbraw/zinc/88/95/84/1382889584.db2.gz REGBANVPRHVNLN-UHFFFAOYSA-N 0 0 325.412 3.037 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](O)C1CCCCC1 ZINC001299477892 1383538992 /nfs/dbraw/zinc/53/89/92/1383538992.db2.gz IBUPWZYZEWNHTL-DNVCBOLYSA-N 0 0 332.488 3.049 10 10 EGCERN Cc1cc(C)n(Cc2cccc(C(=O)NCc3cc(C)ccc3O)c2)n1 ZINC001167293449 1383587030 /nfs/dbraw/zinc/58/70/30/1383587030.db2.gz DJDCGPLMUCXWEJ-UHFFFAOYSA-N 0 0 349.434 3.492 10 10 EGCERN O=C(/C=C/c1ccc(Cl)nc1)N1C[C@H](CO)Cc2cccc(F)c21 ZINC001300168193 1383650050 /nfs/dbraw/zinc/65/00/50/1383650050.db2.gz JCVLYCWZRPVATG-VUDGCMKMSA-N 0 0 346.789 3.085 10 10 EGCERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCc1cc(Cl)ccc1O ZINC001300402494 1383662834 /nfs/dbraw/zinc/66/28/34/1383662834.db2.gz YEMAOMJJQZYTCQ-SECBINFHSA-N 0 0 341.741 3.408 10 10 EGCERN CCN(CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC001167834317 1383753205 /nfs/dbraw/zinc/75/32/05/1383753205.db2.gz FDLFPKXSYWFIKO-QFBILLFUSA-N 0 0 348.487 3.233 10 10 EGCERN C[C@@H](NC(=O)Cc1ccn(-c2ccc(F)cc2)n1)c1ccccc1O ZINC001302532550 1383756841 /nfs/dbraw/zinc/75/68/41/1383756841.db2.gz IRSQCCQSTOSBIB-CYBMUJFWSA-N 0 0 339.370 3.137 10 10 EGCERN CC(=O)Nc1ccccc1C(F)(F)C(=O)N[C@H](C)c1ccccc1O ZINC001302532788 1383757078 /nfs/dbraw/zinc/75/70/78/1383757078.db2.gz QUDXFHCQPGVONL-LLVKDONJSA-N 0 0 348.349 3.320 10 10 EGCERN CC(C)c1nnc(N2CCCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001302661445 1383762939 /nfs/dbraw/zinc/76/29/39/1383762939.db2.gz SYFDHTOPVGHQLM-UHFFFAOYSA-N 0 0 339.487 3.432 10 10 EGCERN CCCN(CC)c1nnc(C)n1Cc1ccc2c(c1)CCCN2C ZINC001306796704 1383904823 /nfs/dbraw/zinc/90/48/23/1383904823.db2.gz SNDWYMKANSAZNL-UHFFFAOYSA-N 0 0 327.476 3.254 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cnc3c(C)cc(C)cc3c2O)c1 ZINC001306878726 1383914484 /nfs/dbraw/zinc/91/44/84/1383914484.db2.gz WLGUNEJVCMBWEF-UHFFFAOYSA-N 0 0 336.391 3.089 10 10 EGCERN Oc1c(CNc2nc(C(F)(F)F)ns2)ccc2cccnc21 ZINC001307146266 1383945881 /nfs/dbraw/zinc/94/58/81/1383945881.db2.gz RLJJHZJYDXOXRS-UHFFFAOYSA-N 0 0 326.303 3.423 10 10 EGCERN COC(=O)c1cc(OCc2ccc3c(c2)COC3)ccc1N(C)C ZINC001307389551 1383981227 /nfs/dbraw/zinc/98/12/27/1383981227.db2.gz RDBMGLAHRXJPOD-UHFFFAOYSA-N 0 0 327.380 3.148 10 10 EGCERN COC(=O)c1cc(OCCOc2cccc(F)c2)ccc1N(C)C ZINC001307389024 1383981278 /nfs/dbraw/zinc/98/12/78/1383981278.db2.gz MBMCABBPZISUJP-UHFFFAOYSA-N 0 0 333.359 3.136 10 10 EGCERN COc1ccc(N(C)CC(=O)NCCc2c(C)cc(C)cc2C)cc1 ZINC001307905254 1384054284 /nfs/dbraw/zinc/05/42/84/1384054284.db2.gz MRRTWBSXYFIQMG-UHFFFAOYSA-N 0 0 340.467 3.416 10 10 EGCERN CCC[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001312994741 1384385154 /nfs/dbraw/zinc/38/51/54/1384385154.db2.gz MCZOBZCICLQVLU-NVXWUHKLSA-N 0 0 331.460 3.248 10 10 EGCERN C[C@@H](NC(=O)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccccc1O ZINC001313091856 1384395228 /nfs/dbraw/zinc/39/52/28/1384395228.db2.gz XCRYYCDBNLUGLE-WDEREUQCSA-N 0 0 341.367 3.360 10 10 EGCERN C[C@H](NC(=O)c1ccccc1Oc1cnn(C)c1)c1ccccc1O ZINC001171730950 1384617126 /nfs/dbraw/zinc/61/71/26/1384617126.db2.gz UEBBAKWUQVPINI-ZDUSSCGKSA-N 0 0 337.379 3.409 10 10 EGCERN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1O ZINC001171730553 1384617354 /nfs/dbraw/zinc/61/73/54/1384617354.db2.gz OABQEOWWVUTQLD-JTQLQIEISA-N 0 0 330.409 3.293 10 10 EGCERN Cc1cc(C(=O)N2CCO[C@H](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC001178406295 1386207477 /nfs/dbraw/zinc/20/74/77/1386207477.db2.gz MXFRMWHPRRYLDX-CQSZACIVSA-N 0 0 330.403 3.484 10 10 EGCERN CN(C)c1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1C=O ZINC001179037261 1386385476 /nfs/dbraw/zinc/38/54/76/1386385476.db2.gz TZJQLEKGIXOCHW-UHFFFAOYSA-N 0 0 348.402 3.354 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1ccnc(-n2cccc2)c1 ZINC001180421032 1386792095 /nfs/dbraw/zinc/79/20/95/1386792095.db2.gz UBXIKGAMJIUVGP-UHFFFAOYSA-N 0 0 327.771 3.161 10 10 EGCERN Cc1ccncc1/C=C\C(=O)N1CCCc2c3ncn(C)c3ccc21 ZINC001181224343 1386962998 /nfs/dbraw/zinc/96/29/98/1386962998.db2.gz XKYKEESWYRSZFP-YVMONPNESA-N 0 0 332.407 3.269 10 10 EGCERN Cc1ccccc1CO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001330214253 1389344230 /nfs/dbraw/zinc/34/42/30/1389344230.db2.gz NCJSTTNTVNLNCT-INIZCTEOSA-N 0 0 326.440 3.283 10 10 EGCERN Cc1cc(C(=O)OCC2CCC(O)CC2)c(C)n1-c1ccccn1 ZINC001330288231 1389378774 /nfs/dbraw/zinc/37/87/74/1389378774.db2.gz BALXTRLNKPJTTJ-UHFFFAOYSA-N 0 0 328.412 3.197 10 10 EGCERN Cc1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001338447497 1389686131 /nfs/dbraw/zinc/68/61/31/1389686131.db2.gz MQVTYQKHILUPGT-QGZVFWFLSA-N 0 0 344.842 3.344 10 10 EGCERN C[C@H]1CC(=O)CC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349106723 1391303162 /nfs/dbraw/zinc/30/31/62/1391303162.db2.gz QAAAOCFTYMABHL-HNAYVOBHSA-N 0 0 328.456 3.251 10 10 EGCERN CN1C(=O)/C(=C/c2cn(C3CC3)cn2)c2cc(Br)ccc21 ZINC001351757029 1391684648 /nfs/dbraw/zinc/68/46/48/1391684648.db2.gz ODPURHNFRXOAJI-VGOFMYFVSA-N 0 0 344.212 3.498 10 10 EGCERN Cc1ncccc1/C=C\C(=O)N(C)c1ccc(Br)cn1 ZINC001354740874 1392165825 /nfs/dbraw/zinc/16/58/25/1392165825.db2.gz KPSYKGJBCBOTKS-YVMONPNESA-N 0 0 332.201 3.224 10 10 EGCERN C#CCN(C)c1nnc(C2CCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001705553176 1417127686 /nfs/dbraw/zinc/12/76/86/1417127686.db2.gz MJAJJADOXWDVRB-UHFFFAOYSA-N 0 0 349.482 3.046 10 10 EGCERN CC[C@@](C)(O)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001708333945 1417399002 /nfs/dbraw/zinc/39/90/02/1417399002.db2.gz HDHUSJJWUPDUAD-LJQANCHMSA-N 0 0 346.475 3.079 10 10 EGCERN CCCN(C)c1nnc(C)n1Cc1ccc(N2CCSCC2)cc1 ZINC001709681122 1417445925 /nfs/dbraw/zinc/44/59/25/1417445925.db2.gz DNBDDDIMGWZNNB-UHFFFAOYSA-N 0 0 345.516 3.034 10 10 EGCERN CN(c1nnc(CC2CC2)n1CCCSc1nccs1)C1CC1 ZINC001711043705 1417477444 /nfs/dbraw/zinc/47/74/44/1417477444.db2.gz ZHFGQYFMSMJQGG-UHFFFAOYSA-N 0 0 349.529 3.468 10 10 EGCERN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)CC ZINC001743567671 1439574142 /nfs/dbraw/zinc/57/41/42/1439574142.db2.gz UWVMRCOXOCOZAH-LIRRHRJNSA-N 0 0 346.475 3.295 10 10 EGCERN Cc1cc(C(=O)NCC2CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000044696544 213641698 /nfs/dbraw/zinc/64/16/98/213641698.db2.gz UJDAWKBJYXRVBC-UHFFFAOYSA-N 0 0 326.396 3.005 10 10 EGCERN COCCN1C(=O)/C(=C/c2c(C)[nH]c3ccccc32)SC1=S ZINC000040570616 213352658 /nfs/dbraw/zinc/35/26/58/213352658.db2.gz RCIHFRLRBCUSPY-ZROIWOOFSA-N 0 0 332.450 3.324 10 10 EGCERN NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000004498941 283541920 /nfs/dbraw/zinc/54/19/20/283541920.db2.gz BNFWMUYNHIPDAX-RLFYNMQTSA-N 0 0 344.411 3.300 10 10 EGCERN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N)cc1 ZINC000022220697 212283131 /nfs/dbraw/zinc/28/31/31/212283131.db2.gz DLANWNMIOKLGOD-JTQLQIEISA-N 0 0 335.201 3.437 10 10 EGCERN O=C1CN(Cc2ccccc2O)C(=O)N1CC(C1CCC1)C1CCC1 ZINC000530199307 313494921 /nfs/dbraw/zinc/49/49/21/313494921.db2.gz ZLSTZMJHXCRKPX-UHFFFAOYSA-N 0 0 342.439 3.373 10 10 EGCERN Cc1csc(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)n1 ZINC000180751221 455238757 /nfs/dbraw/zinc/23/87/57/455238757.db2.gz FAGJSYUONFJFLV-HWKANZROSA-N 0 0 344.436 3.282 10 10 EGCERN Cc1ccc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000012556333 453373811 /nfs/dbraw/zinc/37/38/11/453373811.db2.gz HRBKGJWRJNBVBI-MDZDMXLPSA-N 0 0 340.423 3.096 10 10 EGCERN O=C(CCc1ccccc1O)NCc1c(O)ccc2c1CCCC2 ZINC000075159523 453867558 /nfs/dbraw/zinc/86/75/58/453867558.db2.gz XGAPEHORPWWJCS-UHFFFAOYSA-N 0 0 325.408 3.226 10 10 EGCERN O=C(C1[C@@H]2CCCC[C@H]12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000081959087 453919732 /nfs/dbraw/zinc/91/97/32/453919732.db2.gz PUVNWHDPEHVCBQ-IAZCMVOBSA-N 0 0 329.440 3.336 10 10 EGCERN COC(=O)c1ccccc1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000042753846 454024313 /nfs/dbraw/zinc/02/43/13/454024313.db2.gz BWPRHTPBWXJUNT-UHFFFAOYSA-N 0 0 341.411 3.203 10 10 EGCERN COC(=O)/C=C/c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000078371431 454242882 /nfs/dbraw/zinc/24/28/82/454242882.db2.gz XYDNMSYEVGDIEI-LADOHOGBSA-N 0 0 328.368 3.183 10 10 EGCERN COC(=O)/C=C/c1ccc(N2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000078494824 454263656 /nfs/dbraw/zinc/26/36/56/454263656.db2.gz AYEUDGUJYCBHLI-YILIYONBSA-N 0 0 336.413 3.111 10 10 EGCERN CCn1cnnc1CNC(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C ZINC000047021628 454320455 /nfs/dbraw/zinc/32/04/55/454320455.db2.gz WINVJQNRDIBYQO-KHPPLWFESA-N 0 0 349.438 3.035 10 10 EGCERN CCOC[C@@H]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000072946286 454368195 /nfs/dbraw/zinc/36/81/95/454368195.db2.gz SRDVLDQXHGNDMU-LOWQCSRCSA-N 0 0 348.399 3.034 10 10 EGCERN COc1cc(O)c(CN2CCO[C@@H](c3ccsc3)C2)cc1OC ZINC000160396024 455454093 /nfs/dbraw/zinc/45/40/93/455454093.db2.gz BCRMNOSPFMRBFB-QGZVFWFLSA-N 0 0 335.425 3.044 10 10 EGCERN Cc1nc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)no1 ZINC000074611061 454609458 /nfs/dbraw/zinc/60/94/58/454609458.db2.gz WGVXLBGSZVZCFL-UHFFFAOYSA-N 0 0 344.415 3.128 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000109080797 454820150 /nfs/dbraw/zinc/82/01/50/454820150.db2.gz YORSOFRXCVHZOS-HOTGVXAUSA-N 0 0 330.378 3.451 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1CN1CCO[C@@H](c2nccs2)C1 ZINC000191305528 455475913 /nfs/dbraw/zinc/47/59/13/455475913.db2.gz COJDSKAVUXHSRZ-GFCCVEGCSA-N 0 0 328.796 3.215 10 10 EGCERN CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2O)c2ccc(F)cc2C1 ZINC000185355953 455547917 /nfs/dbraw/zinc/54/79/17/455547917.db2.gz RCAILCFKXYEJSC-GOSISDBHSA-N 0 0 328.387 3.114 10 10 EGCERN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000247167301 455568347 /nfs/dbraw/zinc/56/83/47/455568347.db2.gz SKPWPLMZTTVAOV-HUUCEWRRSA-N 0 0 327.476 3.482 10 10 EGCERN CN(C)c1ccc(CN(C(=O)[C@H]2CCCc3n[nH]cc32)C2CC2)cc1 ZINC000268160519 455606239 /nfs/dbraw/zinc/60/62/39/455606239.db2.gz PLIZITGFSKQURD-KRWDZBQOSA-N 0 0 338.455 3.087 10 10 EGCERN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])N1CCOCC1 ZINC000192634739 455658779 /nfs/dbraw/zinc/65/87/79/455658779.db2.gz OXSOMYACFGGRGT-QWRGUYRKSA-N 0 0 333.259 3.070 10 10 EGCERN c1nc2c(ncnc2NCc2ccc(N3CCCC3)cc2)n1C1CC1 ZINC000292423817 455659232 /nfs/dbraw/zinc/65/92/32/455659232.db2.gz KZAXVWBKNUCTPZ-UHFFFAOYSA-N 0 0 334.427 3.374 10 10 EGCERN O=C(c1cc[nH]c1C1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000285317848 455822625 /nfs/dbraw/zinc/82/26/25/455822625.db2.gz PUUHOFGEMSVXRF-MRXNPFEDSA-N 0 0 340.423 3.419 10 10 EGCERN Cc1cccnc1CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000296702681 456013917 /nfs/dbraw/zinc/01/39/17/456013917.db2.gz KPBDQNQNXCJHDR-UHFFFAOYSA-N 0 0 339.439 3.016 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ncccc1C ZINC000297717825 456279675 /nfs/dbraw/zinc/27/96/75/456279675.db2.gz ZBICCGXEDOLSHZ-UHFFFAOYSA-N 0 0 340.471 3.230 10 10 EGCERN CCc1noc(C)c1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000297825175 456302252 /nfs/dbraw/zinc/30/22/52/456302252.db2.gz QUXINEZNQOEHHJ-UHFFFAOYSA-N 0 0 343.427 3.129 10 10 EGCERN CC(C)C1(C)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000302485033 456347671 /nfs/dbraw/zinc/34/76/71/456347671.db2.gz YGHMQWWNAVYUSG-UHFFFAOYSA-N 0 0 333.388 3.188 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCSCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000302741539 456388610 /nfs/dbraw/zinc/38/86/10/456388610.db2.gz RJRDIDVBQXPXFN-FVOPLDGLSA-N 0 0 336.413 3.113 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCOC1(C)C ZINC000298212870 456393435 /nfs/dbraw/zinc/39/34/35/456393435.db2.gz UUYMGPIADKVMMM-GOSISDBHSA-N 0 0 345.487 3.386 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1[O-] ZINC000371336196 457872912 /nfs/dbraw/zinc/87/29/12/457872912.db2.gz OAAMPOXKOJUGNR-UHFFFAOYSA-N 0 0 336.779 3.057 10 10 EGCERN C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000366671904 457882365 /nfs/dbraw/zinc/88/23/65/457882365.db2.gz KBFFCSZUBNRKFA-LZWOXQAQSA-N 0 0 334.435 3.363 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530195990 458713163 /nfs/dbraw/zinc/71/31/63/458713163.db2.gz IEYMFONUWMLGMU-FRRDWIJNSA-N 0 0 348.830 3.246 10 10 EGCERN CO[C@H](COc1ccc2c(c1)c1c(n2C)CCCC1)[C@H]1CCOC1 ZINC000664104829 461943474 /nfs/dbraw/zinc/94/34/74/461943474.db2.gz MWWZZYANVIUSBC-VBKZILBWSA-N 0 0 329.440 3.487 10 10 EGCERN COc1cccc(CNC(=S)Nc2ccc(OC(C)C)cc2)n1 ZINC000726488371 574559135 /nfs/dbraw/zinc/55/91/35/574559135.db2.gz ROTTYMBXXYMDHM-UHFFFAOYSA-N 0 0 331.441 3.364 10 10 EGCERN O=C1OC(C2=S=C3CCCCC3=C2)=N/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000726749262 574569731 /nfs/dbraw/zinc/56/97/31/574569731.db2.gz AUMJZCDXFJLUIA-DHZHZOJOSA-N 0 0 344.348 3.076 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000730595976 575004619 /nfs/dbraw/zinc/00/46/19/575004619.db2.gz FGUUKYIKJDONQV-KRWDZBQOSA-N 0 0 335.517 3.018 10 10 EGCERN Cc1cc(CCNC(=O)NCc2cocn2)c(C)n1-c1ccccc1 ZINC000730830827 575025950 /nfs/dbraw/zinc/02/59/50/575025950.db2.gz VFWGKZZXCMGNSU-UHFFFAOYSA-N 0 0 338.411 3.124 10 10 EGCERN O=C(COC(=O)C1=CC(=O)CS1)c1cccc(Br)c1 ZINC000732352812 575261466 /nfs/dbraw/zinc/26/14/66/575261466.db2.gz HXMUGSUCHQJTJP-UHFFFAOYSA-N 0 0 341.182 3.256 10 10 EGCERN O=C(Cc1coc(-c2ccc(F)cc2)n1)NCc1ccccc1O ZINC000733360575 575331062 /nfs/dbraw/zinc/33/10/62/575331062.db2.gz LVSRRVJMDJPRAQ-UHFFFAOYSA-N 0 0 326.327 3.045 10 10 EGCERN Cc1cc(C(=O)Nc2ccc3nccn3c2)c(C)n1-c1ccccn1 ZINC000733969598 575419197 /nfs/dbraw/zinc/41/91/97/575419197.db2.gz NRQCOJKZNPLHTA-UHFFFAOYSA-N 0 0 331.379 3.389 10 10 EGCERN O=C(NCCCSc1nccs1)c1cc(-c2ccoc2)n[nH]1 ZINC000733972240 575419523 /nfs/dbraw/zinc/41/95/23/575419523.db2.gz OEEHBEAFBCUVKC-UHFFFAOYSA-N 0 0 334.426 3.038 10 10 EGCERN CCc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000740462853 576584624 /nfs/dbraw/zinc/58/46/24/576584624.db2.gz AZSLOGPRITVIOZ-HNNXBMFYSA-N 0 0 345.399 3.156 10 10 EGCERN CC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCS1 ZINC000742427620 576783248 /nfs/dbraw/zinc/78/32/48/576783248.db2.gz WKUJBOGTKNUAOG-SCXUMTSISA-N 0 0 336.413 3.113 10 10 EGCERN Cc1cc(CCNC(=O)N[C@@H]2CCSC2)c(C)n1-c1ccccc1 ZINC000743691930 576814782 /nfs/dbraw/zinc/81/47/82/576814782.db2.gz VWMLYAQZCOMLKE-QGZVFWFLSA-N 0 0 343.496 3.441 10 10 EGCERN Cc1cc(CCNC(=O)c2ccc(=O)[nH]c2)c(C)n1-c1ccccc1 ZINC000011085471 1291123957 /nfs/dbraw/zinc/12/39/57/1291123957.db2.gz NCMKRRFVFZGTFZ-UHFFFAOYSA-N 0 0 335.407 3.167 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cc(C)c(C)s3)CC2)cc1 ZINC000042047448 1291428278 /nfs/dbraw/zinc/42/82/78/1291428278.db2.gz HMHJQMPXXCEPKK-UHFFFAOYSA-N 0 0 330.453 3.336 10 10 EGCERN COc1ccc(CNC(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1 ZINC000045362866 1291511539 /nfs/dbraw/zinc/51/15/39/1291511539.db2.gz ZRKCKDVACRJLIR-KPKJPENVSA-N 0 0 340.423 3.099 10 10 EGCERN O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(Br)cc1 ZINC000085200904 1292718785 /nfs/dbraw/zinc/71/87/85/1292718785.db2.gz JXTQJDXLOAOQIA-UHFFFAOYSA-N 0 0 346.177 3.095 10 10 EGCERN COc1cccc(CNC(=O)c2cc(C3CCCCC3)n[nH]2)c1O ZINC000179359015 1294787541 /nfs/dbraw/zinc/78/75/41/1294787541.db2.gz YJCVCFRFDHFWBZ-UHFFFAOYSA-N 0 0 329.400 3.102 10 10 EGCERN O=C(NCCCSc1nccs1)NOCc1ccc(F)cc1 ZINC000186440358 1295328545 /nfs/dbraw/zinc/32/85/45/1295328545.db2.gz AIGYWHDDCPMIBC-UHFFFAOYSA-N 0 0 341.433 3.195 10 10 EGCERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204601 1296271698 /nfs/dbraw/zinc/27/16/98/1296271698.db2.gz HQWNSFWDEWAYEX-CYBMUJFWSA-N 0 0 344.436 3.207 10 10 EGCERN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[C@H]1OCCc2sccc21 ZINC000871205184 1296272881 /nfs/dbraw/zinc/27/28/81/1296272881.db2.gz QMGRXYZCMSWIGH-PIGZYNQJSA-N 0 0 329.421 3.246 10 10 EGCERN O=C([C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12)N1Cc2cccc(O)c2C1 ZINC000871206781 1296273368 /nfs/dbraw/zinc/27/33/68/1296273368.db2.gz DRDYNFLZOLTUJE-MORSLUCNSA-N 0 0 325.795 3.474 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000243097901 1296289410 /nfs/dbraw/zinc/28/94/10/1296289410.db2.gz JAJDTKRJRMUSSV-UHFFFAOYSA-N 0 0 325.412 3.439 10 10 EGCERN NC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000254950256 1296481456 /nfs/dbraw/zinc/48/14/56/1296481456.db2.gz GSAOGFRMDLSMCA-GXDHUFHOSA-N 0 0 340.429 3.191 10 10 EGCERN Cc1cc(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c(C)n1-c1ccccc1 ZINC000873869440 1297710829 /nfs/dbraw/zinc/71/08/29/1297710829.db2.gz LMIYVUDVQXBCMN-RTBURBONSA-N 0 0 348.450 3.280 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([C@H]2CCOC2)CC1 ZINC000585121870 1298032120 /nfs/dbraw/zinc/03/21/20/1298032120.db2.gz DGRINTUHFWHUFE-LBPRGKRZSA-N 0 0 347.436 3.201 10 10 EGCERN C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1C[NH3+] ZINC000708100115 1298235694 /nfs/dbraw/zinc/23/56/94/1298235694.db2.gz RKBMXBYDUNXBJF-ONGXEEELSA-N 0 0 347.684 3.225 10 10 EGCERN C[NH+](C)C[C@@H]1CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708141137 1298236711 /nfs/dbraw/zinc/23/67/11/1298236711.db2.gz QAJYCDSTDANVQP-LBPRGKRZSA-N 0 0 347.684 3.334 10 10 EGCERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890762525 1304874281 /nfs/dbraw/zinc/87/42/81/1304874281.db2.gz GABLUIMQVXFCKS-VXGBXAGGSA-N 0 0 339.819 3.030 10 10 EGCERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1O ZINC000897316021 1310286420 /nfs/dbraw/zinc/28/64/20/1310286420.db2.gz QDWXEMSYGMCLKK-RISCZKNCSA-N 0 0 349.452 3.182 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cncc2nc[nH]c21 ZINC000899147376 1310955270 /nfs/dbraw/zinc/95/52/70/1310955270.db2.gz PITSPRKDSGLDSY-UHFFFAOYSA-N 0 0 337.427 3.075 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](c2nccs2)C1 ZINC000899205701 1310980079 /nfs/dbraw/zinc/98/00/79/1310980079.db2.gz CDYBOTVWILIRPD-SECBINFHSA-N 0 0 346.433 3.399 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000857547500 1328547040 /nfs/dbraw/zinc/54/70/40/1328547040.db2.gz HJBHCGCFLOPRHP-OAHLLOKOSA-N 0 0 338.190 3.319 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCn3cncc32)c(C)n1-c1ccc(F)cc1 ZINC000857990763 1328650984 /nfs/dbraw/zinc/65/09/84/1328650984.db2.gz XSNWXUGNVDBZCN-QGZVFWFLSA-N 0 0 338.386 3.305 10 10 EGCERN Cc1cc(C(=O)N2CCCn3nncc3C2)c(C)n1-c1cccc(C)c1 ZINC000899332988 1316994248 /nfs/dbraw/zinc/99/42/48/1316994248.db2.gz JAHTYTBEGZAYEO-UHFFFAOYSA-N 0 0 349.438 3.040 10 10 EGCERN O=C(NC[C@@H]1CC2(CCC2)CO1)c1cc2cc(O)c(O)cc2s1 ZINC000899424216 1317031337 /nfs/dbraw/zinc/03/13/37/1317031337.db2.gz RBUBYFORIVNSSC-NSHDSACASA-N 0 0 333.409 3.002 10 10 EGCERN CN(C)c1cc(F)c(CNCc2cnc(C(F)(F)F)nc2)cc1F ZINC000858186500 1328706468 /nfs/dbraw/zinc/70/64/68/1328706468.db2.gz DSNJBQXCJYBOKC-UHFFFAOYSA-N 0 0 346.303 3.129 10 10 EGCERN COc1ccc2c(c1)CC[C@@H]2C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858199782 1328710031 /nfs/dbraw/zinc/71/00/31/1328710031.db2.gz RQECMQOLVSEMSR-FQEVSTJZSA-N 0 0 338.451 3.450 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000858466727 1328769486 /nfs/dbraw/zinc/76/94/86/1328769486.db2.gz LTCRUXPRJOSBFT-MJGOQNOKSA-N 0 0 340.423 3.420 10 10 EGCERN COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000858471740 1328770511 /nfs/dbraw/zinc/77/05/11/1328770511.db2.gz DWVOMDWNEZIXNP-MWLCHTKSSA-N 0 0 329.318 3.323 10 10 EGCERN O=C(C[C@@H]1CC[C@H](C2CC2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000930204849 1328810912 /nfs/dbraw/zinc/81/09/12/1328810912.db2.gz DEGXWWDVBOTPPR-RBUKOAKNSA-N 0 0 328.456 3.251 10 10 EGCERN COCCC1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000858661046 1328821967 /nfs/dbraw/zinc/82/19/67/1328821967.db2.gz PNVYIEIQECQNKV-GQCTYLIASA-N 0 0 348.399 3.034 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)nc2sccn21 ZINC000858826286 1328868869 /nfs/dbraw/zinc/86/88/69/1328868869.db2.gz GJWIISGTHIHZIR-UHFFFAOYSA-N 0 0 342.468 3.433 10 10 EGCERN COCC[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc(C)o1 ZINC000921838434 1322409162 /nfs/dbraw/zinc/40/91/62/1322409162.db2.gz JYYPHXHHHXKIOO-AWEZNQCLSA-N 0 0 336.363 3.010 10 10 EGCERN C[C@@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000922053947 1322445828 /nfs/dbraw/zinc/44/58/28/1322445828.db2.gz HALSQLGFSFPMNU-PBHICJAKSA-N 0 0 331.460 3.215 10 10 EGCERN CCSc1cc(CNC(=O)NCc2c(O)cccc2F)ccn1 ZINC000922088596 1322452451 /nfs/dbraw/zinc/45/24/51/1322452451.db2.gz WJXGIRYSPFQRLG-UHFFFAOYSA-N 0 0 335.404 3.038 10 10 EGCERN CCCNc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC000922205129 1322478162 /nfs/dbraw/zinc/47/81/62/1322478162.db2.gz LBWNNTLTUUUBAJ-UHFFFAOYSA-N 0 0 331.391 3.353 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922951430 1322658126 /nfs/dbraw/zinc/65/81/26/1322658126.db2.gz WWHVJTONMMRGMH-AWEZNQCLSA-N 0 0 345.270 3.042 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)/C=C/Cl)C2)cc1 ZINC000923184143 1322706585 /nfs/dbraw/zinc/70/65/85/1322706585.db2.gz AIYXRDKRJRDBFI-WTNCMQEWSA-N 0 0 337.851 3.104 10 10 EGCERN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C12CC(C1)C2 ZINC000859676085 1329051649 /nfs/dbraw/zinc/05/16/49/1329051649.db2.gz ZTZMJJCNWJDNFF-YNAXMUEKSA-N 0 0 336.382 3.173 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCC34CC4)CC2)cc1F ZINC000859965918 1329120240 /nfs/dbraw/zinc/12/02/40/1329120240.db2.gz KMYBLXBBTYJNFK-HNNXBMFYSA-N 0 0 332.419 3.063 10 10 EGCERN Cc1cc(C(=O)NCc2ccccc2O)c(C)n1[C@@H]1CCCOC1 ZINC000860232640 1329179813 /nfs/dbraw/zinc/17/98/13/1329179813.db2.gz BSBSQFUYYFRLBI-MRXNPFEDSA-N 0 0 328.412 3.092 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(OC(C)(C)C)n2)c1 ZINC000860241843 1329181652 /nfs/dbraw/zinc/18/16/52/1329181652.db2.gz MRNNGJDKWHOHDJ-LBPRGKRZSA-N 0 0 344.411 3.464 10 10 EGCERN C[C@@H](NC(=O)N[C@H]1c2ccccc2OC[C@H]1F)c1ccccc1O ZINC000925133813 1325059420 /nfs/dbraw/zinc/05/94/20/1325059420.db2.gz DUHDZDRMNAROQQ-ZLENFMNRSA-N 0 0 330.359 3.224 10 10 EGCERN COC(C)(C)[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000925488203 1325174475 /nfs/dbraw/zinc/17/44/75/1325174475.db2.gz HWABQULEYAVKBC-CQSZACIVSA-N 0 0 333.476 3.240 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000927453397 1328031644 /nfs/dbraw/zinc/03/16/44/1328031644.db2.gz KROKPQHDPKXSID-WBMJQRKESA-N 0 0 338.835 3.050 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)NCc1cncc(O)c1 ZINC000927795129 1328142701 /nfs/dbraw/zinc/14/27/01/1328142701.db2.gz ZMHYYMLXKHHOEM-UHFFFAOYSA-N 0 0 329.400 3.005 10 10 EGCERN COc1ccc(C(=O)C[C@H](C)C(=O)NCc2c(O)cccc2F)cc1 ZINC000928707736 1328404920 /nfs/dbraw/zinc/40/49/20/1328404920.db2.gz HKVGETINNGGFOU-LBPRGKRZSA-N 0 0 345.370 3.065 10 10 EGCERN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1c(O)cccc1F ZINC000928709644 1328406455 /nfs/dbraw/zinc/40/64/55/1328406455.db2.gz KGVOBFGNLRJHAN-UHFFFAOYSA-N 0 0 341.382 3.299 10 10 EGCERN CC[C@H](C)n1nc(C(=O)NCc2ccc3cccnc3c2O)cc1C ZINC000862027224 1329456043 /nfs/dbraw/zinc/45/60/43/1329456043.db2.gz NGFZTLCUDVWRAW-LBPRGKRZSA-N 0 0 338.411 3.346 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC34CC4)C2)cc1 ZINC000862035307 1329456416 /nfs/dbraw/zinc/45/64/16/1329456416.db2.gz PUEHHVYYAAMAMR-YJBOKZPZSA-N 0 0 328.456 3.218 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000862473506 1329489294 /nfs/dbraw/zinc/48/92/94/1329489294.db2.gz SZAKVUWOEOJJDT-NEPJUHHUSA-N 0 0 328.821 3.424 10 10 EGCERN Cc1cc(CNC(=O)[C@H](C)c2ccnn2C)c(C)n1-c1ccccc1 ZINC000863163389 1329531511 /nfs/dbraw/zinc/53/15/11/1329531511.db2.gz AOGSGAMOUAQMJS-OAHLLOKOSA-N 0 0 336.439 3.248 10 10 EGCERN Cc1cc(CNC(=O)[C@@H](C)c2ccnn2C)c(C)n1-c1ccccc1 ZINC000863163388 1329531799 /nfs/dbraw/zinc/53/17/99/1329531799.db2.gz AOGSGAMOUAQMJS-HNNXBMFYSA-N 0 0 336.439 3.248 10 10 EGCERN Cc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c(O)c1O ZINC000863542591 1329561829 /nfs/dbraw/zinc/56/18/29/1329561829.db2.gz QPZKNFREWPWHPF-NSHDSACASA-N 0 0 340.379 3.129 10 10 EGCERN COc1ccc([C@@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)cc1F ZINC000863945447 1329590641 /nfs/dbraw/zinc/59/06/41/1329590641.db2.gz DYFOXCKNSQWIRS-LLVKDONJSA-N 0 0 349.333 3.014 10 10 EGCERN Cc1ccccc1[C@@H]1C(=O)NCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000863949291 1329590875 /nfs/dbraw/zinc/59/08/75/1329590875.db2.gz CTTVMLQWPDDFAX-HSTAZWAASA-N 0 0 349.478 3.247 10 10 EGCERN COCc1sccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000865054516 1329665577 /nfs/dbraw/zinc/66/55/77/1329665577.db2.gz SIQMGFNXYLNURW-UHFFFAOYSA-N 0 0 330.453 3.207 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)CC2)cc1 ZINC000865116486 1329670386 /nfs/dbraw/zinc/67/03/86/1329670386.db2.gz WZUHKELKIJNZQL-BYNBJNPRSA-N 0 0 328.456 3.072 10 10 EGCERN CN(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000865763562 1329736186 /nfs/dbraw/zinc/73/61/86/1329736186.db2.gz JLBFLRJVANBFKL-KVPUOBJLSA-N 0 0 345.443 3.248 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)OCCC(F)(F)F ZINC000866430819 1330111148 /nfs/dbraw/zinc/11/11/48/1330111148.db2.gz WJGNOXDJBUUTBR-UHFFFAOYSA-N 0 0 346.349 3.044 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866563365 1330127259 /nfs/dbraw/zinc/12/72/59/1330127259.db2.gz LNKOAFXUQTVDMV-YVEFUNNKSA-N 0 0 327.384 3.138 10 10 EGCERN C[C@H](NC(=O)OCCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000866605390 1330131993 /nfs/dbraw/zinc/13/19/93/1330131993.db2.gz NAQGBPREMLXZFP-LBPRGKRZSA-N 0 0 346.349 3.263 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)OCCC(F)(F)F)C2)cc1 ZINC000867429125 1330200483 /nfs/dbraw/zinc/20/04/83/1330200483.db2.gz WAFSYGKNCIOLAP-GFCCVEGCSA-N 0 0 346.349 3.200 10 10 EGCERN C[C@H](NC(=O)NC[C@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000868480764 1330284803 /nfs/dbraw/zinc/28/48/03/1330284803.db2.gz GSIWXJNEXCZHGN-LPRCSBTHSA-N 0 0 348.443 3.074 10 10 EGCERN C[C@H](NC(=O)NCc1ccc(C(C)(C)O)cc1)c1ccccc1O ZINC000868510928 1330288494 /nfs/dbraw/zinc/28/84/94/1330288494.db2.gz FKQFFWQWUKOSOJ-ZDUSSCGKSA-N 0 0 328.412 3.180 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1O ZINC000868681024 1330314147 /nfs/dbraw/zinc/31/41/47/1330314147.db2.gz NMHPNGBUACHKIP-PMUMKWKESA-N 0 0 341.411 3.068 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H]2O)c1 ZINC001324653390 1387718647 /nfs/dbraw/zinc/71/86/47/1387718647.db2.gz ZTIFVIINNXLEFP-IAGOWNOFSA-N 0 0 332.831 3.391 10 10 EGCERN Cn1nc(C2CC2)cc1NC(=O)NCCCSc1nccs1 ZINC001324907103 1387817116 /nfs/dbraw/zinc/81/71/16/1387817116.db2.gz IONGJMLNJZQGQJ-UHFFFAOYSA-N 0 0 337.474 3.058 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@]34CCOC4)c2C)cc1 ZINC001325463011 1387981468 /nfs/dbraw/zinc/98/14/68/1387981468.db2.gz VWOLDSPKCNBRRQ-FQEVSTJZSA-N 0 0 340.423 3.108 10 10 EGCERN O=C([C@@H]1CCC[C@H](F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001118155399 1371138780 /nfs/dbraw/zinc/13/87/80/1371138780.db2.gz INVKHVYANOOIER-PVAVHDDUSA-N 0 0 335.419 3.428 10 10 EGCERN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1(C)CC1 ZINC001123663855 1372548261 /nfs/dbraw/zinc/54/82/61/1372548261.db2.gz ICYQNHDOEDTDNO-ZBFHGGJFSA-N 0 0 332.444 3.271 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn(C(F)F)c1 ZINC001124550853 1372711549 /nfs/dbraw/zinc/71/15/49/1372711549.db2.gz JCKSYOBLPMBDAB-UHFFFAOYSA-N 0 0 334.370 3.151 10 10 EGCERN CC(C)C1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)COC1 ZINC001125089753 1372752262 /nfs/dbraw/zinc/75/22/62/1372752262.db2.gz GTOBSAZKCKZFLM-UHFFFAOYSA-N 0 0 349.386 3.073 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)CC2)cc1 ZINC001127275717 1373111040 /nfs/dbraw/zinc/11/10/40/1373111040.db2.gz ABDBQIQVHXOITG-OSYLJGHBSA-N 0 0 328.456 3.170 10 10 EGCERN C[C@@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)c1ccc(N(C)C)cc1 ZINC001128246692 1373240974 /nfs/dbraw/zinc/24/09/74/1373240974.db2.gz IRKRWIMQZQDZGG-ZIAGYGMSSA-N 0 0 326.444 3.022 10 10 EGCERN CC(=O)c1cnccc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001128253409 1373241443 /nfs/dbraw/zinc/24/14/43/1373241443.db2.gz QOTKHTMHTADSMK-UHFFFAOYSA-N 0 0 347.418 3.295 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@H](C)CC(C)C)CC2)c(OC)c1 ZINC001132031909 1375107699 /nfs/dbraw/zinc/10/76/99/1375107699.db2.gz BOBPDXNTQGITLP-OAHLLOKOSA-N 0 0 334.460 3.035 10 10 EGCERN COc1ccc(N2CCN(C(=O)CC3CCCCC3)CC2)c(OC)c1 ZINC001132031964 1375107883 /nfs/dbraw/zinc/10/78/83/1375107883.db2.gz DNZYTAYZUAAIPE-UHFFFAOYSA-N 0 0 346.471 3.323 10 10 EGCERN CNc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nc1 ZINC001135968210 1377280661 /nfs/dbraw/zinc/28/06/61/1377280661.db2.gz MZPPTPJHBYOTDN-UHFFFAOYSA-N 0 0 338.455 3.386 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cc(C)[nH]n2)CCCC1 ZINC001136305446 1377375228 /nfs/dbraw/zinc/37/52/28/1377375228.db2.gz PCCVSLOVHZXRAQ-UHFFFAOYSA-N 0 0 338.411 3.199 10 10 EGCERN Cc1cc(C)n2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)c2n1 ZINC001136436534 1377392915 /nfs/dbraw/zinc/39/29/15/1377392915.db2.gz AOUWKNHCUYAJCX-UHFFFAOYSA-N 0 0 348.450 3.264 10 10 EGCERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136801420 1377424811 /nfs/dbraw/zinc/42/48/11/1377424811.db2.gz SIIZOCNLKXZXGE-UKRRQHHQSA-N 0 0 346.431 3.420 10 10 EGCERN CO[C@H](CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C(C)C ZINC001137004030 1377455048 /nfs/dbraw/zinc/45/50/48/1377455048.db2.gz MGABZBOBKAKORC-LJQANCHMSA-N 0 0 342.439 3.307 10 10 EGCERN CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137566518 1377566705 /nfs/dbraw/zinc/56/67/05/1377566705.db2.gz UQWWRKINHDUUNR-UHFFFAOYSA-N 0 0 348.403 3.041 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1snc(Cl)c1Cl ZINC001138152979 1377685469 /nfs/dbraw/zinc/68/54/69/1377685469.db2.gz VAGMQXUBRTUTLW-ZCFIWIBFSA-N 0 0 347.223 3.222 10 10 EGCERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)CCO1 ZINC001141105372 1378241514 /nfs/dbraw/zinc/24/15/14/1378241514.db2.gz MJHLBBNIHLOQHV-WFASDCNBSA-N 0 0 332.404 3.030 10 10 EGCERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H](C)C(C)(C)C ZINC001142234844 1378423413 /nfs/dbraw/zinc/42/34/13/1378423413.db2.gz FKZILNCSTRTLQX-HZPDHXFCSA-N 0 0 332.488 3.458 10 10 EGCERN O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1ccc(O)cc1O ZINC001142532975 1378454079 /nfs/dbraw/zinc/45/40/79/1378454079.db2.gz BBCKNZYMEORBSI-UHFFFAOYSA-N 0 0 330.771 3.091 10 10 EGCERN O=C(/C=C\Sc1cc(F)ccc1F)NCc1ccc(O)cc1O ZINC001142533993 1378454206 /nfs/dbraw/zinc/45/42/06/1378454206.db2.gz VLNOUASVVCJUPH-WAYWQWQTSA-N 0 0 337.347 3.298 10 10 EGCERN O=C(N[C@@H](CO)CC1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001142641229 1378467236 /nfs/dbraw/zinc/46/72/36/1378467236.db2.gz WCBBELSKHCISPB-CYBMUJFWSA-N 0 0 349.452 3.374 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCC(=O)c2ccccc21 ZINC001142730836 1378482737 /nfs/dbraw/zinc/48/27/37/1378482737.db2.gz FMVQPANQBAIPJK-KRWDZBQOSA-N 0 0 346.386 3.317 10 10 EGCERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2cccnc2c1O ZINC001142728421 1378482832 /nfs/dbraw/zinc/48/28/32/1378482832.db2.gz SLFVSBVEOSSCOX-UHFFFAOYSA-N 0 0 337.335 3.087 10 10 EGCERN Cc1ccc(-c2cc(C(=O)NCc3cc(Cl)ccc3O)[nH]n2)o1 ZINC001146233609 1378800879 /nfs/dbraw/zinc/80/08/79/1378800879.db2.gz YDDCUYHDZHFUGT-UHFFFAOYSA-N 0 0 331.759 3.267 10 10 EGCERN Cc1cc(C(=O)N2CCN(C)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC001146517570 1378858267 /nfs/dbraw/zinc/85/82/67/1378858267.db2.gz RKZXAGHJEVKKLC-INIZCTEOSA-N 0 0 325.456 3.179 10 10 EGCERN COc1ccc(N2CCN(C(=O)/C=C/C=C(Cl)Cl)CC2)cc1 ZINC001150067999 1379490514 /nfs/dbraw/zinc/49/05/14/1379490514.db2.gz ANWFCWZYNOHHMW-DUXPYHPUSA-N 0 0 341.238 3.219 10 10 EGCERN Cc1cc(CNC(=O)Cc2ccccc2CO)c(C)n1-c1ccccc1 ZINC001151154129 1379668257 /nfs/dbraw/zinc/66/82/57/1379668257.db2.gz SKWBPNWPMYZDOA-UHFFFAOYSA-N 0 0 348.446 3.445 10 10 EGCERN Cc1cc(CNC(=O)c2ccc(CO)nc2)c(C)n1-c1cccc(C)c1 ZINC001151152401 1379668754 /nfs/dbraw/zinc/66/87/54/1379668754.db2.gz AEPNVQXPDZIJLA-UHFFFAOYSA-N 0 0 349.434 3.220 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](CO)C(C)C ZINC001157034579 1380755251 /nfs/dbraw/zinc/75/52/51/1380755251.db2.gz PAKPFGQUMXQNTR-QGZVFWFLSA-N 0 0 328.456 3.397 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC(=O)c1ccccc1 ZINC001157103209 1380775885 /nfs/dbraw/zinc/77/58/85/1380775885.db2.gz WXHUEZVILHISFJ-UHFFFAOYSA-N 0 0 332.396 3.157 10 10 EGCERN Cc1cc(CC(=O)Nc2ncn(C(C)C)n2)c(C)n1-c1ccccc1 ZINC001328423709 1388742605 /nfs/dbraw/zinc/74/26/05/1388742605.db2.gz WXQVFGNHDVILMG-UHFFFAOYSA-N 0 0 337.427 3.448 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)COc3ccsn3)cc2)CC1 ZINC001293146968 1382262370 /nfs/dbraw/zinc/26/23/70/1382262370.db2.gz XWUUMNXFRXZVIO-UHFFFAOYSA-N 0 0 345.468 3.075 10 10 EGCERN CC1(c2ccccc2)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001295134283 1382551421 /nfs/dbraw/zinc/55/14/21/1382551421.db2.gz GFYXHJVWWOBWQD-UHFFFAOYSA-N 0 0 325.408 3.221 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)CC3(C(F)(F)F)CC3)C2)cc1 ZINC001328633545 1388794052 /nfs/dbraw/zinc/79/40/52/1388794052.db2.gz KDWGTGXSLPMWAE-GFCCVEGCSA-N 0 0 342.361 3.123 10 10 EGCERN CCC(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001162504078 1382774935 /nfs/dbraw/zinc/77/49/35/1382774935.db2.gz GOAYFVFABYIUAW-UHFFFAOYSA-N 0 0 339.439 3.054 10 10 EGCERN CCOC(=O)CC1(CNC(=O)c2ccc(C)c(O)c2O)CCCCC1 ZINC001295850057 1382844403 /nfs/dbraw/zinc/84/44/03/1382844403.db2.gz RHDBJSBAJHFJPU-UHFFFAOYSA-N 0 0 349.427 3.040 10 10 EGCERN CC(C)n1ccnc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001162800261 1382876326 /nfs/dbraw/zinc/87/63/26/1382876326.db2.gz DVEYTWBCUXCGNM-UHFFFAOYSA-N 0 0 326.444 3.384 10 10 EGCERN CN(C)c1nccc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc21 ZINC001298099774 1383357873 /nfs/dbraw/zinc/35/78/73/1383357873.db2.gz YYKBGQWFCSKXLV-XBXARRHUSA-N 0 0 349.390 3.364 10 10 EGCERN CS(C)(=O)=Nc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001299204770 1383485707 /nfs/dbraw/zinc/48/57/07/1383485707.db2.gz BCZGTQTXVGQDOG-VQHVLOKHSA-N 0 0 346.408 3.109 10 10 EGCERN CO[C@H](C)Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001299560777 1383569056 /nfs/dbraw/zinc/56/90/56/1383569056.db2.gz WEMAMRGNZLNCJB-CQSZACIVSA-N 0 0 344.459 3.313 10 10 EGCERN COc1ccc2cc(C(=O)NCc3cc(C)ccc3O)c(C)nc2c1 ZINC001167290858 1383586253 /nfs/dbraw/zinc/58/62/53/1383586253.db2.gz NIXVKRICMQYICQ-UHFFFAOYSA-N 0 0 336.391 3.496 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1c(Cl)nc2ccccn21 ZINC001300402283 1383662845 /nfs/dbraw/zinc/66/28/45/1383662845.db2.gz XXNMJFIKZXGGTE-UHFFFAOYSA-N 0 0 336.178 3.277 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1cc2ccccc2[nH]c1=O ZINC001300401296 1383662895 /nfs/dbraw/zinc/66/28/95/1383662895.db2.gz RYHNVQQDSLPSRS-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3C[C@]3(C)OC)c2C)cc1 ZINC001167571098 1383673431 /nfs/dbraw/zinc/67/34/31/1383673431.db2.gz PCWSHZHGOQVRSD-MJGOQNOKSA-N 0 0 328.412 3.010 10 10 EGCERN Cc1cc(CC(=O)N2CC[C@H](C)[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC001167671056 1383706521 /nfs/dbraw/zinc/70/65/21/1383706521.db2.gz KRUBERCMCPDBIA-HNAYVOBHSA-N 0 0 340.467 3.114 10 10 EGCERN Cc1nc(C(=O)NCc2cc(O)ccc2O)c(-c2ccccc2)s1 ZINC001303225889 1383788739 /nfs/dbraw/zinc/78/87/39/1383788739.db2.gz QTECCZCUTJNOHP-UHFFFAOYSA-N 0 0 340.404 3.460 10 10 EGCERN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1c(O)cccc1O ZINC001304050597 1383825504 /nfs/dbraw/zinc/82/55/04/1383825504.db2.gz NYGXMZYMSBMICT-ZDUSSCGKSA-N 0 0 343.423 3.479 10 10 EGCERN COc1cccc(OC)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304090297 1383828792 /nfs/dbraw/zinc/82/87/92/1383828792.db2.gz CYHMXXAGFJTESH-UHFFFAOYSA-N 0 0 337.375 3.493 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CCOCCC(C)C ZINC001306079876 1383871959 /nfs/dbraw/zinc/87/19/59/1383871959.db2.gz DNGBGHZSPQUYMT-UHFFFAOYSA-N 0 0 346.475 3.245 10 10 EGCERN O=C(NCc1cc(Cl)cc(Cl)c1)c1c(F)ccc(O)c1O ZINC001306875587 1383913629 /nfs/dbraw/zinc/91/36/29/1383913629.db2.gz PKKRLIYUUMNLIV-UHFFFAOYSA-N 0 0 330.142 3.474 10 10 EGCERN C=C/C=C/CCNC(=O)NCc1cccc(Br)c1O ZINC001313230299 1384403915 /nfs/dbraw/zinc/40/39/15/1384403915.db2.gz XAHNGNLSBNOEKX-ONEGZZNKSA-N 0 0 325.206 3.086 10 10 EGCERN C[C@H](NC(=O)c1cnc2c(F)cc(F)cc2c1O)c1ccccc1O ZINC001171730927 1384617334 /nfs/dbraw/zinc/61/73/34/1384617334.db2.gz SBXWDBGHOZWQFZ-VIFPVBQESA-N 0 0 344.317 3.003 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC001174726108 1385140541 /nfs/dbraw/zinc/14/05/41/1385140541.db2.gz STUVSRLWDBWGOB-JDNHERCYSA-N 0 0 347.789 3.493 10 10 EGCERN CSc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001175030218 1385183980 /nfs/dbraw/zinc/18/39/80/1385183980.db2.gz PABUSIBVPNLFKB-UHFFFAOYSA-N 0 0 330.365 3.178 10 10 EGCERN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NCc1c(O)cccc1F ZINC001178413872 1386210218 /nfs/dbraw/zinc/21/02/18/1386210218.db2.gz ZMQHCGQKWFBWPM-UHFFFAOYSA-N 0 0 339.370 3.468 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC001319732288 1386273907 /nfs/dbraw/zinc/27/39/07/1386273907.db2.gz FVPRVIUPVMPJQT-BWTSREIZSA-N 0 0 328.456 3.170 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cnc(Cl)cc1C(F)(F)F ZINC001178918158 1386348811 /nfs/dbraw/zinc/34/88/11/1386348811.db2.gz ZIBKMRWUXFTNIK-UHFFFAOYSA-N 0 0 346.692 3.095 10 10 EGCERN CC(=O)c1ccc(N2CCN(Cc3ccc(C)cc3O)CC2)c(F)c1 ZINC001180452963 1386801811 /nfs/dbraw/zinc/80/18/11/1386801811.db2.gz SERWTFCDXXBJDB-UHFFFAOYSA-N 0 0 342.414 3.365 10 10 EGCERN CO[C@@H]1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC001321777266 1386981714 /nfs/dbraw/zinc/98/17/14/1386981714.db2.gz LHQZXKVUWDXPEL-JKSUJKDBSA-N 0 0 344.411 3.265 10 10 EGCERN CN1CCCc2cc(CNC(=O)N3CCC[C@@H](CCF)C3)ccc21 ZINC001330046018 1389293473 /nfs/dbraw/zinc/29/34/73/1389293473.db2.gz OOYHQSKQQPGWOB-HNNXBMFYSA-N 0 0 333.451 3.350 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C3(C(F)F)CCC3)CC2)cc1 ZINC001330370510 1389400952 /nfs/dbraw/zinc/40/09/52/1389400952.db2.gz GSAYCNBWBLQPTQ-UHFFFAOYSA-N 0 0 338.398 3.169 10 10 EGCERN CCOc1ccc(CCNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001346377507 1390930184 /nfs/dbraw/zinc/93/01/84/1390930184.db2.gz VXRQFZSSAOQFOL-UHFFFAOYSA-N 0 0 326.396 3.059 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@@H]3Cc4cccnc4C3)cc2)CC1 ZINC001346471033 1390943269 /nfs/dbraw/zinc/94/32/69/1390943269.db2.gz HTWHZVTYUYBQAA-LJQANCHMSA-N 0 0 349.478 3.349 10 10 EGCERN CCc1c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccn1C ZINC001351671743 1391668263 /nfs/dbraw/zinc/66/82/63/1391668263.db2.gz ABKSGGBUMFYUPD-UHFFFAOYSA-N 0 0 325.456 3.460 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001479283001 1392204601 /nfs/dbraw/zinc/20/46/01/1392204601.db2.gz UOVBUTIFFHHPLW-ZBFHGGJFSA-N 0 0 348.443 3.046 10 10 EGCERN COc1ccc(CNC(=O)N[C@H]2CCCc3ccccc3C2)c(O)c1 ZINC001479469075 1392250513 /nfs/dbraw/zinc/25/05/13/1392250513.db2.gz PTZNUROUHMNODA-KRWDZBQOSA-N 0 0 340.423 3.148 10 10 EGCERN CC[C@@H](Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O)OC ZINC001708769588 1417408387 /nfs/dbraw/zinc/40/83/87/1417408387.db2.gz UVLMGQNMTROCGA-HNNXBMFYSA-N 0 0 332.448 3.169 10 10 EGCERN CC[C@H](Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O)OC ZINC001708769589 1417408504 /nfs/dbraw/zinc/40/85/04/1417408504.db2.gz UVLMGQNMTROCGA-OAHLLOKOSA-N 0 0 332.448 3.169 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCCOC1CCCC1 ZINC001726357762 1427048690 /nfs/dbraw/zinc/04/86/90/1427048690.db2.gz QLOLJBDBFAERDX-UHFFFAOYSA-N 0 0 344.459 3.278 10 10 EGCERN CCc1nnc(N2C[C@H]3CCC[C@@H]32)n1CCCSc1nccs1 ZINC001744599528 1439669836 /nfs/dbraw/zinc/66/98/36/1439669836.db2.gz ILBGZKSKFVCADV-OLZOCXBDSA-N 0 0 349.529 3.468 10 10 EGCERN O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1ccc2ccccc2c1 ZINC000021024323 202060505 /nfs/dbraw/zinc/06/05/05/202060505.db2.gz TWSREFZKEAIEKL-UHFFFAOYSA-N 0 0 329.359 3.320 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)cc1 ZINC000023055399 202097611 /nfs/dbraw/zinc/09/76/11/202097611.db2.gz XQMYCOOIKMMUBA-HUUCEWRRSA-N 0 0 342.439 3.352 10 10 EGCERN COc1cccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)c1OC ZINC000033285957 202255008 /nfs/dbraw/zinc/25/50/08/202255008.db2.gz BQNAGNASGSDMJM-RVDMUPIBSA-N 0 0 346.452 3.406 10 10 EGCERN c1csc(SC[C@H]2Cn3c(nnc3-c3cccnc3)S2)n1 ZINC000095465695 203747801 /nfs/dbraw/zinc/74/78/01/203747801.db2.gz XKADCGLMYXWUMR-SNVBAGLBSA-N 0 0 333.467 3.063 10 10 EGCERN CCOC(=O)c1c2ccc(C)cn2c2c1C(=O)c1ccccc1C2=O ZINC000006844323 276296808 /nfs/dbraw/zinc/29/68/08/276296808.db2.gz JIEOYXPZHWLLMD-UHFFFAOYSA-N 0 0 333.343 3.200 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3C[C@@H]3C)c2C)cc1 ZINC000002642875 452711175 /nfs/dbraw/zinc/71/11/75/452711175.db2.gz OWDRZYOENKSCLB-SJCJKPOMSA-N 0 0 341.407 3.485 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)c1nnnn1-c1ccccc1 ZINC000012554873 453374618 /nfs/dbraw/zinc/37/46/18/453374618.db2.gz VHFMQGHGYFVCIW-UHFFFAOYSA-N 0 0 348.454 3.289 10 10 EGCERN CN(C)CCOc1ccc2c(c1)oc1c2C(=O)c2ccccc2C1=O ZINC000013651663 453478212 /nfs/dbraw/zinc/47/82/12/453478212.db2.gz URJASGMRUHMAJX-UHFFFAOYSA-N 0 0 335.359 3.149 10 10 EGCERN COc1cc(O)c(CN2CCC[C@H]2c2noc(C(C)C)n2)cc1OC ZINC000160073240 455426537 /nfs/dbraw/zinc/42/65/37/455426537.db2.gz LLVYVPGNHXBIQC-ZDUSSCGKSA-N 0 0 347.415 3.253 10 10 EGCERN COc1cccc(CNC(=O)CCCc2ccc(F)c(F)c2)c1O ZINC000130929191 454226827 /nfs/dbraw/zinc/22/68/27/454226827.db2.gz LJKVTIPGCNYMDG-UHFFFAOYSA-N 0 0 335.350 3.318 10 10 EGCERN Oc1ccc(Cl)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120905228 454363122 /nfs/dbraw/zinc/36/31/22/454363122.db2.gz LNWIKJRWHQZUEC-UHFFFAOYSA-N 0 0 342.830 3.468 10 10 EGCERN Cc1cc(SCC2=NNC(=O)/C2=C/N(C)C)c(Cl)cc1Cl ZINC000100251169 454465182 /nfs/dbraw/zinc/46/51/82/454465182.db2.gz DOVCRQQTUVNTMV-RMKNXTFCSA-N 0 0 344.267 3.325 10 10 EGCERN COC(=O)C1=CN(c2ccc(C)cc2C)c2ccccc2S1(=O)=O ZINC000064979128 454521774 /nfs/dbraw/zinc/52/17/74/454521774.db2.gz OTFKDJKWJZLVEO-UHFFFAOYSA-N 0 0 343.404 3.243 10 10 EGCERN O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000092105320 454524932 /nfs/dbraw/zinc/52/49/32/454524932.db2.gz SQQRMJHFTZDEAO-QMTHXVAHSA-N 0 0 343.254 3.190 10 10 EGCERN C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000065606792 454601974 /nfs/dbraw/zinc/60/19/74/454601974.db2.gz UYQQXWVMVYWDFN-XUJVJEKNSA-N 0 0 342.361 3.184 10 10 EGCERN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1O ZINC000109622051 454832814 /nfs/dbraw/zinc/83/28/14/454832814.db2.gz ITMCQAWTNIFLOC-QWHCGFSZSA-N 0 0 333.334 3.099 10 10 EGCERN Cc1nc(-c2cccc(NC(=O)N(C)Cc3ccccc3O)c2)no1 ZINC000144460408 454848565 /nfs/dbraw/zinc/84/85/65/454848565.db2.gz FSBCZJYKOHJVHY-UHFFFAOYSA-N 0 0 338.367 3.415 10 10 EGCERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(O)c1O ZINC000177676289 454890966 /nfs/dbraw/zinc/89/09/66/454890966.db2.gz IELDMROHZJHNCL-CZUORRHYSA-N 0 0 327.380 3.008 10 10 EGCERN COC[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000171074212 455025501 /nfs/dbraw/zinc/02/55/01/455025501.db2.gz FYFVGHITIJXKPS-IBGZPJMESA-N 0 0 341.455 3.282 10 10 EGCERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172107389 455122954 /nfs/dbraw/zinc/12/29/54/455122954.db2.gz UXWYAHKHKLONAB-YWZLYKJASA-N 0 0 336.435 3.468 10 10 EGCERN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](c2ccc(F)cc2)O1 ZINC000172925856 455210891 /nfs/dbraw/zinc/21/08/91/455210891.db2.gz BSOOYXFKCRQALF-HXPMCKFVSA-N 0 0 345.370 3.222 10 10 EGCERN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1Cc2ccccc2C1 ZINC000265917299 455405553 /nfs/dbraw/zinc/40/55/53/455405553.db2.gz GFBNYSHVYHFGHG-UHFFFAOYSA-N 0 0 347.462 3.372 10 10 EGCERN COc1cccc(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1O ZINC000174845928 455416335 /nfs/dbraw/zinc/41/63/35/455416335.db2.gz KOCKZXRADDJZLL-HOTGVXAUSA-N 0 0 326.396 3.004 10 10 EGCERN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000191211355 455464397 /nfs/dbraw/zinc/46/43/97/455464397.db2.gz FKWXUJJBPGBFSR-LLVKDONJSA-N 0 0 344.365 3.410 10 10 EGCERN Cc1cc(C(=O)N[C@H]2CCCn3ncnc32)c(C)n1-c1ccccc1C ZINC000175709555 455485710 /nfs/dbraw/zinc/48/57/10/455485710.db2.gz WNZDKFLHOPCLIE-KRWDZBQOSA-N 0 0 349.438 3.259 10 10 EGCERN COc1ccc(N2CCN(Cc3cc(C(C)(C)C)on3)CC2)cc1 ZINC000283957231 455615657 /nfs/dbraw/zinc/61/56/57/455615657.db2.gz LJSPBHCLVMXKHJ-UHFFFAOYSA-N 0 0 329.444 3.303 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000277666056 455629130 /nfs/dbraw/zinc/62/91/30/455629130.db2.gz MBMSJDHLKFYDJN-YJBOKZPZSA-N 0 0 333.476 3.098 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c(F)c1[O-] ZINC000249033344 455741704 /nfs/dbraw/zinc/74/17/04/455741704.db2.gz BRWKPVDSEGDFRX-USBNGQNGSA-N 0 0 329.412 3.376 10 10 EGCERN CO[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000293481652 455788307 /nfs/dbraw/zinc/78/83/07/455788307.db2.gz VPFAISOCPGPDEG-YQVWRLOYSA-N 0 0 347.455 3.105 10 10 EGCERN CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293638560 455793610 /nfs/dbraw/zinc/79/36/10/455793610.db2.gz NTZKJJPTEAARFK-IDFMNXDXSA-N 0 0 333.856 3.354 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1F ZINC000251907448 455798996 /nfs/dbraw/zinc/79/89/96/455798996.db2.gz RKVIPBWYSLBVMK-YXJHDRRASA-N 0 0 349.450 3.039 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCOC[C@H]3C)ccc21 ZINC000278405165 455834917 /nfs/dbraw/zinc/83/49/17/455834917.db2.gz DXJCMGXKDZHAHY-ACJLOTCBSA-N 0 0 344.455 3.059 10 10 EGCERN COc1c(O)c(CNc2ccnn2[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000278907616 455853262 /nfs/dbraw/zinc/85/32/62/455853262.db2.gz RXNKFDVHOJCBHP-JTQLQIEISA-N 0 0 332.360 3.089 10 10 EGCERN C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296526816 455963242 /nfs/dbraw/zinc/96/32/42/455963242.db2.gz SJQXTGIYVWTKCC-HNNXBMFYSA-N 0 0 341.484 3.154 10 10 EGCERN O=C(NCc1ccccc1O)NCC1CCN(c2ccccc2)CC1 ZINC000280973905 456097257 /nfs/dbraw/zinc/09/72/57/456097257.db2.gz ZILWKEJUJHNWMU-UHFFFAOYSA-N 0 0 339.439 3.108 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cnc2cnccc2c1 ZINC000281097681 456131918 /nfs/dbraw/zinc/13/19/18/456131918.db2.gz BBOIBLAYAADHRG-UHFFFAOYSA-N 0 0 332.407 3.160 10 10 EGCERN Cc1nc(C2CC2)oc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000273756045 456245063 /nfs/dbraw/zinc/24/50/63/456245063.db2.gz UMRMXTZJTUUOQX-UHFFFAOYSA-N 0 0 326.396 3.375 10 10 EGCERN CCN(Cc1cc(-c2cnn(C)c2)no1)c1ccc(OC)c(OC)c1 ZINC000274464274 456258739 /nfs/dbraw/zinc/25/87/39/456258739.db2.gz XVBRHYJVYSGSLG-UHFFFAOYSA-N 0 0 342.399 3.119 10 10 EGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccoc1C1CC1 ZINC000281945182 456369840 /nfs/dbraw/zinc/36/98/40/456369840.db2.gz RWAGJHDENLWUMJ-UHFFFAOYSA-N 0 0 344.386 3.063 10 10 EGCERN COc1nnc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000282839799 456641432 /nfs/dbraw/zinc/64/14/32/456641432.db2.gz OTWBPNCMXYETFW-UHFFFAOYSA-N 0 0 349.460 3.055 10 10 EGCERN Cn1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)c(C2CC2)n1 ZINC000292104844 456855974 /nfs/dbraw/zinc/85/59/74/456855974.db2.gz SGBGJCZLVZJGRG-UHFFFAOYSA-N 0 0 339.443 3.002 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2[nH]ccc2s1 ZINC000356253190 457551534 /nfs/dbraw/zinc/55/15/34/457551534.db2.gz MVENNJFHFSLRQH-UHFFFAOYSA-N 0 0 327.409 3.335 10 10 EGCERN COc1c([O-])c(C[NH2+]C2CC(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000365793992 457777604 /nfs/dbraw/zinc/77/76/04/457777604.db2.gz HLZPYNATFFGLLH-UHFFFAOYSA-N 0 0 328.368 3.345 10 10 EGCERN Cc1ccc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c(O)c1O ZINC000366818524 457900861 /nfs/dbraw/zinc/90/08/61/457900861.db2.gz FBXDGGVCXQZKMA-LJQANCHMSA-N 0 0 329.371 3.349 10 10 EGCERN CCOc1ccc(O)c(CN2CCCC[C@@H]2c2noc(CC)n2)c1 ZINC000371403873 457912581 /nfs/dbraw/zinc/91/25/81/457912581.db2.gz DDESDGIHEKNIIE-OAHLLOKOSA-N 0 0 331.416 3.464 10 10 EGCERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cccc(O)c2O)no1 ZINC000369297533 458163412 /nfs/dbraw/zinc/16/34/12/458163412.db2.gz FYWLXHGIIAQNBN-ZDUSSCGKSA-N 0 0 345.399 3.362 10 10 EGCERN C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1[O-] ZINC000530218306 458721387 /nfs/dbraw/zinc/72/13/87/458721387.db2.gz VWSNLHJPDSURCU-NOZJJQNGSA-N 0 0 343.240 3.229 10 10 EGCERN CC[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(F)cc1[O-] ZINC000527998848 459791185 /nfs/dbraw/zinc/79/11/85/459791185.db2.gz COOBYEPTYQKPEW-SJORKVTESA-N 0 0 328.387 3.399 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000528277019 459801249 /nfs/dbraw/zinc/80/12/49/459801249.db2.gz BBRVQRQTUDQZLY-NZVBXONLSA-N 0 0 332.425 3.379 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000528828145 459814786 /nfs/dbraw/zinc/81/47/86/459814786.db2.gz SJYXCGMLBNJFHZ-INIZCTEOSA-N 0 0 333.334 3.451 10 10 EGCERN O=C([C@H]1CCCC12CC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000528881583 459816183 /nfs/dbraw/zinc/81/61/83/459816183.db2.gz IQZLACPHSFGXKO-IAGOWNOFSA-N 0 0 329.440 3.480 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(C2CC2)n1 ZINC000575760996 460000124 /nfs/dbraw/zinc/00/01/24/460000124.db2.gz LIYIPZJJOVLSMQ-UHFFFAOYSA-N 0 0 338.411 3.456 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000513685376 548015536 /nfs/dbraw/zinc/01/55/36/548015536.db2.gz ZBFUWFZTWIQOLA-VXGBXAGGSA-N 0 0 342.361 3.457 10 10 EGCERN COc1ccc(N2CCCN(C(=O)C[C@@H](C)n3cccc3)CC2)cc1 ZINC000729523382 574868788 /nfs/dbraw/zinc/86/87/88/574868788.db2.gz BGWJFGKUXSXCIV-QGZVFWFLSA-N 0 0 341.455 3.187 10 10 EGCERN COC(=O)CN(Cc1ccc(F)c(F)c1)Cc1cc(C)c(C)cc1O ZINC000731025383 575045484 /nfs/dbraw/zinc/04/54/84/575045484.db2.gz SPCKJMHZDOSDPW-UHFFFAOYSA-N 0 0 349.377 3.462 10 10 EGCERN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000732354975 575261994 /nfs/dbraw/zinc/26/19/94/575261994.db2.gz YLEOCXPYFQYUSL-CYBMUJFWSA-N 0 0 347.436 3.436 10 10 EGCERN CCC[C@@H](O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000734265117 575461724 /nfs/dbraw/zinc/46/17/24/575461724.db2.gz GXZCOQUJMDWIGL-LJQANCHMSA-N 0 0 343.471 3.097 10 10 EGCERN COC(=O)[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)(C)C ZINC000735802246 575717024 /nfs/dbraw/zinc/71/70/24/575717024.db2.gz SLFDVQVYMLSCKS-KRWDZBQOSA-N 0 0 342.439 3.412 10 10 EGCERN C[C@@H]1CN(Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)C[C@@H](C)O1 ZINC000738544247 576336005 /nfs/dbraw/zinc/33/60/05/576336005.db2.gz XUULIOAYMFCYNF-CHWSQXEVSA-N 0 0 346.452 3.315 10 10 EGCERN CC(C)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000740037780 576537027 /nfs/dbraw/zinc/53/70/27/576537027.db2.gz GLQAUEFKNRETFI-HOTGVXAUSA-N 0 0 333.476 3.176 10 10 EGCERN COc1ccc(OC)c(NC(=S)NNc2cccc(F)c2F)c1 ZINC000743003780 576799427 /nfs/dbraw/zinc/79/94/27/576799427.db2.gz AXRUTBQLBJCCPY-UHFFFAOYSA-N 0 0 339.367 3.296 10 10 EGCERN Cc1cnc(F)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000895940045 1309601707 /nfs/dbraw/zinc/60/17/07/1309601707.db2.gz FJRPJGGCILKSMQ-UHFFFAOYSA-N 0 0 327.403 3.449 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3c(C)oc(C)c3C)CC2)cc1 ZINC000052737032 1291711330 /nfs/dbraw/zinc/71/13/30/1291711330.db2.gz CPMUREQKCBSGKN-UHFFFAOYSA-N 0 0 328.412 3.176 10 10 EGCERN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Cc1ccc(N)cc1 ZINC000163088446 1294328244 /nfs/dbraw/zinc/32/82/44/1294328244.db2.gz INJAIOMXHPYIFR-UHFFFAOYSA-N 0 0 338.329 3.369 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[C@@H](OC)C3)c2C)cc1 ZINC000189167490 1295505819 /nfs/dbraw/zinc/50/58/19/1295505819.db2.gz IAZCWYMSCZDRIL-CRAIPNDOSA-N 0 0 342.439 3.400 10 10 EGCERN CO[C@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000191440064 1295681084 /nfs/dbraw/zinc/68/10/84/1295681084.db2.gz LTHHFBMHDAYZDW-DZGCQCFKSA-N 0 0 325.412 3.119 10 10 EGCERN COc1cc(CN2CCO[C@@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193438908 1295868428 /nfs/dbraw/zinc/86/84/28/1295868428.db2.gz ANRMOXZMHRGKCG-CQSZACIVSA-N 0 0 329.387 3.164 10 10 EGCERN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203736 1296271072 /nfs/dbraw/zinc/27/10/72/1296271072.db2.gz RGRWDRAZABCXND-LJQANCHMSA-N 0 0 348.443 3.175 10 10 EGCERN COc1ccc2c(c1)c(C(=O)N1Cc3cccc(O)c3C1)c(C)n2C ZINC000871206306 1296273244 /nfs/dbraw/zinc/27/32/44/1296273244.db2.gz ZELKTXSTVMTULA-UHFFFAOYSA-N 0 0 336.391 3.357 10 10 EGCERN COC(=O)c1ccccc1NC(=S)Nc1cccc(N(C)C)c1 ZINC000243477960 1296292747 /nfs/dbraw/zinc/29/27/47/1296292747.db2.gz NMWVMVMFZRNCPD-UHFFFAOYSA-N 0 0 329.425 3.348 10 10 EGCERN Cn1cc(COc2ccc(N3CCCC3)cc2)c(Br)n1 ZINC000871736809 1296509672 /nfs/dbraw/zinc/50/96/72/1296509672.db2.gz ZVJONIIYHPYUNN-UHFFFAOYSA-N 0 0 336.233 3.362 10 10 EGCERN COc1cccc(/C(C)=C\C(=O)NCc2cccc(OC)c2O)c1 ZINC000255270556 1296513392 /nfs/dbraw/zinc/51/33/92/1296513392.db2.gz ZWEMZMQYHFLXAR-RAXLEYEMSA-N 0 0 327.380 3.129 10 10 EGCERN CCn1ncc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1C ZINC000872136205 1296761448 /nfs/dbraw/zinc/76/14/48/1296761448.db2.gz DCUDHZCFYYBPEY-ZDUSSCGKSA-N 0 0 332.423 3.360 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)cc2)CC1 ZINC000874445638 1297892940 /nfs/dbraw/zinc/89/29/40/1297892940.db2.gz DRYSZEYMIZORNN-QZTJIDSGSA-N 0 0 338.455 3.066 10 10 EGCERN [O-]c1c(Br)cc(Cl)cc1CN1CC[NH+]2CCC1CC2 ZINC000722814131 1298341590 /nfs/dbraw/zinc/34/15/90/1298341590.db2.gz GHZUGLWEYFDJFI-UHFFFAOYSA-N 0 0 345.668 3.088 10 10 EGCERN COc1ccc(N2CCCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000878346954 1299933083 /nfs/dbraw/zinc/93/30/83/1299933083.db2.gz WMEKOCFJKOERTG-LPHOPBHVSA-N 0 0 328.456 3.170 10 10 EGCERN CO[C@H]1C[C@H](CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000881572364 1301621553 /nfs/dbraw/zinc/62/15/53/1301621553.db2.gz JXLWKSLGRFKUJH-CZIWCDLHSA-N 0 0 330.403 3.388 10 10 EGCERN COc1cc(C)cc(CN(C)Cc2csc(C(C)(C)O)n2)c1O ZINC000894928272 1309128721 /nfs/dbraw/zinc/12/87/21/1309128721.db2.gz IMMNQRPHBXIIFS-UHFFFAOYSA-N 0 0 336.457 3.025 10 10 EGCERN COc1cc(Cl)cc(CN2CCc3nc[nH]c3C23CCC3)c1O ZINC000895068990 1309177389 /nfs/dbraw/zinc/17/73/89/1309177389.db2.gz OEICQNNUVSNOOI-UHFFFAOYSA-N 0 0 333.819 3.215 10 10 EGCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])O2 ZINC000895819509 1309534973 /nfs/dbraw/zinc/53/49/73/1309534973.db2.gz AETDRRGXLXBQLA-CXUUEIJPSA-N 0 0 325.836 3.108 10 10 EGCERN O=C(Nc1ccnn1CC1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897001640 1310129603 /nfs/dbraw/zinc/12/96/03/1310129603.db2.gz ZYHLUVWERCHEJO-UHFFFAOYSA-N 0 0 329.381 3.171 10 10 EGCERN C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO[C@H]1C1CC1 ZINC000897414357 1310328533 /nfs/dbraw/zinc/32/85/33/1310328533.db2.gz YOJZDXPPRDEWGQ-FUHWJXTLSA-N 0 0 347.436 3.248 10 10 EGCERN CC(C)[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCCO1 ZINC000897864239 1310497601 /nfs/dbraw/zinc/49/76/01/1310497601.db2.gz MWSGZBGJIIIEPZ-AWEZNQCLSA-N 0 0 335.425 3.200 10 10 EGCERN CO[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1(C)C ZINC000897900908 1310511571 /nfs/dbraw/zinc/51/15/71/1310511571.db2.gz LDKJGMWCBULMNL-OAHLLOKOSA-N 0 0 335.425 3.200 10 10 EGCERN C[C@@H](NC(=O)C[C@@H]1CCc2sccc2C1=O)c1ccccc1O ZINC000899182365 1310968761 /nfs/dbraw/zinc/96/87/61/1310968761.db2.gz YPGSAHOGKMKCEA-NEPJUHHUSA-N 0 0 329.421 3.466 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](C(F)F)C1CCCCC1 ZINC000857741668 1328594227 /nfs/dbraw/zinc/59/42/27/1328594227.db2.gz JFDPVOPFSCBEPW-DZFYGRHCSA-N 0 0 325.355 3.441 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2Cc3cncn3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000857890485 1328616432 /nfs/dbraw/zinc/61/64/32/1328616432.db2.gz WMRKHPZHTXUVTH-QGZVFWFLSA-N 0 0 348.450 3.262 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000929527046 1328626908 /nfs/dbraw/zinc/62/69/08/1328626908.db2.gz BGTXWNIPQBQAND-LSDHHAIUSA-N 0 0 344.377 3.211 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(n2cccn2)CC1 ZINC000929539212 1328629634 /nfs/dbraw/zinc/62/96/34/1328629634.db2.gz CXXUVOQHJZDBPQ-UHFFFAOYSA-N 0 0 338.455 3.021 10 10 EGCERN O=C(NC[C@H]1CC2(CCC2)CO1)c1cc2cc(O)c(O)cc2s1 ZINC000899424215 1317030982 /nfs/dbraw/zinc/03/09/82/1317030982.db2.gz RBUBYFORIVNSSC-LLVKDONJSA-N 0 0 333.409 3.002 10 10 EGCERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1cc2cc(O)c(O)cc2s1 ZINC000899464069 1317047089 /nfs/dbraw/zinc/04/70/89/1317047089.db2.gz MLPBMELSIFFRKC-GFCCVEGCSA-N 0 0 347.436 3.392 10 10 EGCERN CN(C)c1cc(F)c(CNc2ccn(C3CCOCC3)n2)cc1F ZINC000858193104 1328708532 /nfs/dbraw/zinc/70/85/32/1328708532.db2.gz UGQYXVCDMWBUPE-UHFFFAOYSA-N 0 0 336.386 3.191 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)[C@H]2COc3cc(F)ccc3C2)cc1 ZINC000858199984 1328710222 /nfs/dbraw/zinc/71/02/22/1328710222.db2.gz WEFQVJJNJQZGCV-MRXNPFEDSA-N 0 0 342.414 3.101 10 10 EGCERN O=[S@](CCN(Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000929969751 1328752888 /nfs/dbraw/zinc/75/28/88/1328752888.db2.gz CQPUQRAQTKOFEM-HSZRJFAPSA-N 0 0 347.358 3.256 10 10 EGCERN COc1ccc(N(Cc2ccco2)C[C@@H]2CCC3(COC3)O2)cc1F ZINC000929992094 1328759234 /nfs/dbraw/zinc/75/92/34/1328759234.db2.gz QSFFVEZLHVGJIM-INIZCTEOSA-N 0 0 347.386 3.382 10 10 EGCERN COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000858471687 1328770187 /nfs/dbraw/zinc/77/01/87/1328770187.db2.gz DWVOMDWNEZIXNP-KOLCDFICSA-N 0 0 329.318 3.323 10 10 EGCERN CCc1[nH]nc(Cl)c1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000858604780 1328807370 /nfs/dbraw/zinc/80/73/70/1328807370.db2.gz JYICAWGMSBNGRL-UHFFFAOYSA-N 0 0 334.851 3.402 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000858612744 1328809620 /nfs/dbraw/zinc/80/96/20/1328809620.db2.gz DOZUPJGTWLGVAV-ROUUACIJSA-N 0 0 340.423 3.073 10 10 EGCERN COCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000914439159 1319326582 /nfs/dbraw/zinc/32/65/82/1319326582.db2.gz GDQZLMCNHPQPQC-UHFFFAOYSA-N 0 0 328.412 3.297 10 10 EGCERN CCOc1cccc([C@H](C)NC(=O)NCc2c(O)cccc2F)c1 ZINC000915218232 1319447137 /nfs/dbraw/zinc/44/71/37/1319447137.db2.gz UEVFTTQNHLAZHT-LBPRGKRZSA-N 0 0 332.375 3.490 10 10 EGCERN COC(=O)[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000917480651 1319818745 /nfs/dbraw/zinc/81/87/45/1319818745.db2.gz QWXNBWHREVIFBE-GFCCVEGCSA-N 0 0 329.396 3.012 10 10 EGCERN C[C@H](NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000930745179 1328954886 /nfs/dbraw/zinc/95/48/86/1328954886.db2.gz SBFZFRRBSRIWQC-ZICBXASOSA-N 0 0 342.483 3.383 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000919081735 1322026142 /nfs/dbraw/zinc/02/61/42/1322026142.db2.gz OCLFQUANTQZIQZ-PKOBYXMFSA-N 0 0 345.487 3.065 10 10 EGCERN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCS1 ZINC000919918741 1322117265 /nfs/dbraw/zinc/11/72/65/1322117265.db2.gz QVQRFPIOCZRLRR-HOCLYGCPSA-N 0 0 331.485 3.146 10 10 EGCERN COC[C@H]1C[C@@H](NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000921347056 1322297374 /nfs/dbraw/zinc/29/73/74/1322297374.db2.gz YYZPKFFTYYDPBQ-RHNCMZPLSA-N 0 0 340.423 3.061 10 10 EGCERN O=C(NCCCSc1nccs1)NCc1cnc(Cl)s1 ZINC000921447727 1322317117 /nfs/dbraw/zinc/31/71/17/1322317117.db2.gz QYDSJTNDNJIZJH-UHFFFAOYSA-N 0 0 348.906 3.235 10 10 EGCERN Cc1cc(N(C)C)ccc1CNCc1csc(-c2ccn(C)n2)n1 ZINC000921747432 1322390432 /nfs/dbraw/zinc/39/04/32/1322390432.db2.gz ONPJSISANCPQAW-UHFFFAOYSA-N 0 0 341.484 3.208 10 10 EGCERN CCC(CC)[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)CCO1 ZINC000921841496 1322410787 /nfs/dbraw/zinc/41/07/87/1322410787.db2.gz SXBNYDJHWJUGLF-CXAGYDPISA-N 0 0 338.423 3.314 10 10 EGCERN Cc1nc2c(s1)[C@H](NC(=O)NCc1c(O)cccc1F)CCC2 ZINC000921867202 1322415496 /nfs/dbraw/zinc/41/54/96/1322415496.db2.gz WDHQBRCDPLDITH-CYBMUJFWSA-N 0 0 335.404 3.173 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922456423 1322531988 /nfs/dbraw/zinc/53/19/88/1322531988.db2.gz BRTXLBQPSFMDEE-RDDDGLTNSA-N 0 0 327.705 3.384 10 10 EGCERN O=C(NCC1CSC1)N(Cc1ccco1)Cc1ccccc1O ZINC000923819071 1322816706 /nfs/dbraw/zinc/81/67/06/1322816706.db2.gz NSSCBAOWPDUIDK-UHFFFAOYSA-N 0 0 332.425 3.060 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000924028691 1322877654 /nfs/dbraw/zinc/87/76/54/1322877654.db2.gz BUMWFJWVAMXFPZ-DOTOQJQBSA-N 0 0 332.350 3.356 10 10 EGCERN COC1CCN(c2ccc(C[N@H+]3Cc4c[nH]nc4[C@H](C)C3)cc2)CC1 ZINC000931462019 1329123830 /nfs/dbraw/zinc/12/38/30/1329123830.db2.gz IVFRPNKNOQLLAE-OAHLLOKOSA-N 0 0 340.471 3.144 10 10 EGCERN COc1cc(NC(=O)N2Cc3cccc(O)c3C2)cc(OC)c1C ZINC000931540500 1329138900 /nfs/dbraw/zinc/13/89/00/1329138900.db2.gz LKJMQYPXLJZWOG-UHFFFAOYSA-N 0 0 328.368 3.266 10 10 EGCERN COc1ccc(NC(=O)NCc2cc(C)ccc2O)c(OC)c1OC ZINC000860584974 1329333355 /nfs/dbraw/zinc/33/33/55/1329333355.db2.gz NHTDBSLBDRPKFJ-UHFFFAOYSA-N 0 0 346.383 3.048 10 10 EGCERN Cc1nc2c(cccc2CCNC(=O)N[C@H](C)c2ccccc2O)o1 ZINC000926937468 1327784945 /nfs/dbraw/zinc/78/49/45/1327784945.db2.gz TWBRQQUWDYMYFN-GFCCVEGCSA-N 0 0 339.395 3.445 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCO[C@H](C)CC1 ZINC000928526275 1328349851 /nfs/dbraw/zinc/34/98/51/1328349851.db2.gz IHOACIJGWCSONT-OAHLLOKOSA-N 0 0 340.423 3.158 10 10 EGCERN CCCCc1nc(C)c(CC(=O)NCc2c(O)cccc2F)s1 ZINC000928709814 1328405716 /nfs/dbraw/zinc/40/57/16/1328405716.db2.gz GCYNQUVLHPQWAV-UHFFFAOYSA-N 0 0 336.432 3.498 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ocnc1C(F)F ZINC000862002721 1329454609 /nfs/dbraw/zinc/45/46/09/1329454609.db2.gz WFHDVZZWHOSPAC-NSHDSACASA-N 0 0 337.370 3.348 10 10 EGCERN Cc1nc(CC2CC2)oc1C(=O)NCc1ccc2cccnc2c1O ZINC000862026724 1329455684 /nfs/dbraw/zinc/45/56/84/1329455684.db2.gz YLQRAGHRURKJRX-UHFFFAOYSA-N 0 0 337.379 3.119 10 10 EGCERN CCCc1nc(C)c(C(=O)NCc2ccc3cccnc3c2O)o1 ZINC000862026334 1329455887 /nfs/dbraw/zinc/45/58/87/1329455887.db2.gz KUCRVMRLDFYFNV-UHFFFAOYSA-N 0 0 325.368 3.119 10 10 EGCERN CC[C@@H](C)n1nc(C(=O)NCc2ccc3cccnc3c2O)cc1C ZINC000862027223 1329456024 /nfs/dbraw/zinc/45/60/24/1329456024.db2.gz NGFZTLCUDVWRAW-GFCCVEGCSA-N 0 0 338.411 3.346 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccn(C2CCCC2)n1 ZINC000862027378 1329456123 /nfs/dbraw/zinc/45/61/23/1329456123.db2.gz PYPBWPWOSANYDB-UHFFFAOYSA-N 0 0 336.395 3.182 10 10 EGCERN CN(C)c1cc(F)c(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000862246638 1329470407 /nfs/dbraw/zinc/47/04/07/1329470407.db2.gz SONKZSMSDHROMC-LJQANCHMSA-N 0 0 348.393 3.310 10 10 EGCERN Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000862435790 1329486889 /nfs/dbraw/zinc/48/68/89/1329486889.db2.gz LEFZJALWOCLVLN-UHFFFAOYSA-N 0 0 337.704 3.227 10 10 EGCERN C/C=C/c1ccc(OCC(=O)NCc2cc(C)ccc2O)c(OC)c1 ZINC000862761052 1329507411 /nfs/dbraw/zinc/50/74/11/1329507411.db2.gz BQIAYDONQLXAMJ-SNAWJCMRSA-N 0 0 341.407 3.438 10 10 EGCERN COc1cc(OC)c2c(c1)N(C(=O)/C=C\c1cccnc1C)CCC2 ZINC000862776331 1329508349 /nfs/dbraw/zinc/50/83/49/1329508349.db2.gz WTCJHTVFUCTZGR-HJWRWDBZSA-N 0 0 338.407 3.400 10 10 EGCERN Cc1cc(CO)oc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863164458 1329531784 /nfs/dbraw/zinc/53/17/84/1329531784.db2.gz KRYLDVLSCKBDII-UHFFFAOYSA-N 0 0 338.407 3.418 10 10 EGCERN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)c(F)cc1OC ZINC000863175567 1329531869 /nfs/dbraw/zinc/53/18/69/1329531869.db2.gz JVTCTJJLWRVZPY-NTUHNPAUSA-N 0 0 341.429 3.454 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CCCC12CC2 ZINC000863536610 1329561555 /nfs/dbraw/zinc/56/15/55/1329561555.db2.gz MWBOSUYLFLNGDB-ZDUSSCGKSA-N 0 0 348.830 3.390 10 10 EGCERN Cc1ccccc1[C@H]1C(=O)NCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000863949293 1329591152 /nfs/dbraw/zinc/59/11/52/1329591152.db2.gz CTTVMLQWPDDFAX-PVHVJQTOSA-N 0 0 349.478 3.247 10 10 EGCERN CN(C)c1ccc(CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C2CC2)cc1 ZINC000864786736 1329642651 /nfs/dbraw/zinc/64/26/51/1329642651.db2.gz XUVRBNPXVBNTIC-VQTJNVASSA-N 0 0 342.483 3.306 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)c3nnc(C4CC4)o3)cc2)CC1 ZINC000865932224 1329752670 /nfs/dbraw/zinc/75/26/70/1329752670.db2.gz QCFWKTIALLKXSD-UHFFFAOYSA-N 0 0 340.427 3.113 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCC(SC)CC2)c([N+](=O)[O-])c1 ZINC000865991268 1329757340 /nfs/dbraw/zinc/75/73/40/1329757340.db2.gz VRGPPQJEXADAKW-GQCTYLIASA-N 0 0 336.413 3.113 10 10 EGCERN CC1CCN(C(=O)c2ccc(N3Cc4cccc(O)c4C3)nc2)CC1 ZINC000866119791 1330067621 /nfs/dbraw/zinc/06/76/21/1330067621.db2.gz SLGOFNFPPPGANH-UHFFFAOYSA-N 0 0 337.423 3.180 10 10 EGCERN F[C@H]1COc2ccccc2[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000866240954 1330084281 /nfs/dbraw/zinc/08/42/81/1330084281.db2.gz RQTXSCVDWOYSJS-AZUAARDMSA-N 0 0 342.414 3.085 10 10 EGCERN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000868514858 1330288908 /nfs/dbraw/zinc/28/89/08/1330288908.db2.gz FJSFSKLNCQIHAK-FNHZYXHNSA-N 0 0 345.487 3.176 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1ccnc(F)c1 ZINC000868711544 1330322077 /nfs/dbraw/zinc/32/20/77/1330322077.db2.gz SHMSOTKWYTWCML-CQSZACIVSA-N 0 0 344.434 3.026 10 10 EGCERN C[C@H](NC(=O)NCCc1cn(C)c2ccccc12)c1ccccc1O ZINC000868774199 1330339429 /nfs/dbraw/zinc/33/94/29/1330339429.db2.gz DVBPSEHASYRJGH-AWEZNQCLSA-N 0 0 337.423 3.487 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000869003093 1330393219 /nfs/dbraw/zinc/39/32/19/1330393219.db2.gz MOJLFBLKAVMFJV-HKUYNNGSSA-N 0 0 345.487 3.065 10 10 EGCERN CC1(C)CO[C@H](COC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000869472807 1330507128 /nfs/dbraw/zinc/50/71/28/1330507128.db2.gz TVNCYVJJILEOIP-AWEZNQCLSA-N 0 0 346.452 3.288 10 10 EGCERN COC1CCN(c2ccc(CN[C@H](C)c3csnn3)cc2)CC1 ZINC001195241404 1368406447 /nfs/dbraw/zinc/40/64/47/1368406447.db2.gz AXKWTKZYJGHNTI-CYBMUJFWSA-N 0 0 332.473 3.004 10 10 EGCERN CC(=O)c1nc(NC(=O)NCc2cccc(Cl)c2O)sc1C ZINC001205446094 1370758259 /nfs/dbraw/zinc/75/82/59/1370758259.db2.gz QNXQYXIBRTUILN-UHFFFAOYSA-N 0 0 339.804 3.335 10 10 EGCERN Cn1nc(C2CC2)cc1NC(=O)c1ccc(C2=S=CC=C2)s1 ZINC001117811481 1371093783 /nfs/dbraw/zinc/09/37/83/1371093783.db2.gz DBGMZJBKBMPVMQ-UHFFFAOYSA-N 0 0 329.450 3.237 10 10 EGCERN CO[C@H]1CC[C@@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001118749239 1371221226 /nfs/dbraw/zinc/22/12/26/1371221226.db2.gz RAQGORSGAGRQAF-MJGOQNOKSA-N 0 0 326.440 3.320 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cncnc1C1CC1 ZINC001124623782 1372717042 /nfs/dbraw/zinc/71/70/42/1372717042.db2.gz WUXVUKVISBOKMB-UHFFFAOYSA-N 0 0 336.439 3.226 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)c1coc(Br)c1 ZINC001128606112 1373297339 /nfs/dbraw/zinc/29/73/39/1373297339.db2.gz AXLDHKQIWVFCPN-UHFFFAOYSA-N 0 0 342.536 3.484 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)c(OC)c1 ZINC001132032011 1375107517 /nfs/dbraw/zinc/10/75/17/1375107517.db2.gz GRNBEFVMQJTLQZ-WKILWMFISA-N 0 0 346.471 3.179 10 10 EGCERN Cc1cc(CNC(=O)c2cnc3n2CCC3)c(C)n1-c1cccc(C)c1 ZINC001132264645 1375254275 /nfs/dbraw/zinc/25/42/75/1375254275.db2.gz YZXUTGZBLJFYPJ-UHFFFAOYSA-N 0 0 348.450 3.475 10 10 EGCERN CCCCN(CCOC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001230196231 1375965675 /nfs/dbraw/zinc/96/56/75/1375965675.db2.gz WGKVLEBPEUXGFP-QGZVFWFLSA-N 0 0 349.519 3.450 10 10 EGCERN CCC(C)(C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001230858635 1376166609 /nfs/dbraw/zinc/16/66/09/1376166609.db2.gz MAMPVKGJXNOUKC-OAHLLOKOSA-N 0 0 333.476 3.399 10 10 EGCERN COC(=O)[C@H]1CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001134372546 1376498606 /nfs/dbraw/zinc/49/86/06/1376498606.db2.gz YYPCLQQEAOVHCD-MRXNPFEDSA-N 0 0 346.814 3.135 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(F)c(O)c1 ZINC001135800181 1377214343 /nfs/dbraw/zinc/21/43/43/1377214343.db2.gz ALZVRKOPEVFGAL-UHFFFAOYSA-N 0 0 328.387 3.404 10 10 EGCERN CC(=O)c1ccc(NC(=O)c2ccc(C3=S=C(C=O)C=C3)cc2)cc1 ZINC001135943220 1377272655 /nfs/dbraw/zinc/27/26/55/1377272655.db2.gz BDCPOPFOAFGWLH-UHFFFAOYSA-N 0 0 349.411 3.336 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2nonc2c1 ZINC001136335014 1377378708 /nfs/dbraw/zinc/37/87/08/1377378708.db2.gz MPVMJWHUNIKZHN-UHFFFAOYSA-N 0 0 338.411 3.340 10 10 EGCERN CC[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C(=O)OC ZINC001137170487 1377490102 /nfs/dbraw/zinc/49/01/02/1377490102.db2.gz SHOLVUYFQFUMFQ-INIZCTEOSA-N 0 0 348.830 3.429 10 10 EGCERN Cc1cc(Br)c(C(=O)NCc2ccc(O)c(O)c2)s1 ZINC001137443186 1377548430 /nfs/dbraw/zinc/54/84/30/1377548430.db2.gz GMZUGQRLUNGCKZ-UHFFFAOYSA-N 0 0 342.214 3.160 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001140198733 1378030575 /nfs/dbraw/zinc/03/05/75/1378030575.db2.gz PSALJCMUBQFLMM-QGZVFWFLSA-N 0 0 346.423 3.196 10 10 EGCERN COCCOc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001141601466 1378348897 /nfs/dbraw/zinc/34/88/97/1378348897.db2.gz PRMSWRFCOSVYFQ-UHFFFAOYSA-N 0 0 342.355 3.127 10 10 EGCERN COc1cc(Br)ccc1OC(=O)C1=CC(=O)CS1 ZINC001141768938 1378372879 /nfs/dbraw/zinc/37/28/79/1378372879.db2.gz LWRTVFAUEFCSSE-UHFFFAOYSA-N 0 0 329.171 3.444 10 10 EGCERN Cc1csc(CCCC(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC001142565953 1378460288 /nfs/dbraw/zinc/46/02/88/1378460288.db2.gz QTVFQXWTGBOERQ-UHFFFAOYSA-N 0 0 335.448 3.296 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1ccsc1 ZINC001142691051 1378478232 /nfs/dbraw/zinc/47/82/32/1378478232.db2.gz TTZHUEVJIZYKRM-BQYQJAHWSA-N 0 0 345.420 3.059 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@@H](c1ccccc1)n1cccn1 ZINC001146233231 1378801025 /nfs/dbraw/zinc/80/10/25/1378801025.db2.gz RHPILCZXMNNRJA-QGZVFWFLSA-N 0 0 341.798 3.148 10 10 EGCERN COCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCCC1 ZINC001150377611 1379541834 /nfs/dbraw/zinc/54/18/34/1379541834.db2.gz KFPLBLPDRPBHEK-UHFFFAOYSA-N 0 0 331.456 3.484 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)c1ccccc1-n1ccc(C2CC2)n1 ZINC001150378704 1379542073 /nfs/dbraw/zinc/54/20/73/1379542073.db2.gz ULDUKWBBSBMZSZ-UHFFFAOYSA-N 0 0 349.390 3.091 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cncc3ccccc32)c1 ZINC001150543598 1379564831 /nfs/dbraw/zinc/56/48/31/1379564831.db2.gz QPOSDWLMDQIGBE-CYBMUJFWSA-N 0 0 336.391 3.369 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[C@H](F)C1 ZINC001328009807 1388644558 /nfs/dbraw/zinc/64/45/58/1388644558.db2.gz KWAYJJBZSVOSQJ-CVEARBPZSA-N 0 0 336.476 3.384 10 10 EGCERN Cc1cc(C(=O)NCC(F)(F)CO)c(C)n1-c1cc(C)cc(C)c1 ZINC001153842118 1380141717 /nfs/dbraw/zinc/14/17/17/1380141717.db2.gz ZPDMVVVSHWRUBW-UHFFFAOYSA-N 0 0 336.382 3.068 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2C[C@H](O)C2(C)C)c(C)n1-c1ccccc1C ZINC001154846990 1380363460 /nfs/dbraw/zinc/36/34/60/1380363460.db2.gz HJPOKYBMJPFXEX-MSOLQXFVSA-N 0 0 326.440 3.292 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@H](C)CC3)c2C)cc1 ZINC001156155247 1380532401 /nfs/dbraw/zinc/53/24/01/1380532401.db2.gz LHSVXMAHYQWCBT-OAHLLOKOSA-N 0 0 342.439 3.354 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccc(N(C)C)cc1 ZINC001157102876 1380776150 /nfs/dbraw/zinc/77/61/50/1380776150.db2.gz QRGCOTVUTWTOJU-UHFFFAOYSA-N 0 0 347.455 3.193 10 10 EGCERN O=C(c1c(F)ccc(O)c1O)N1CCC(OCC2CCCC2)CC1 ZINC001160919961 1382234715 /nfs/dbraw/zinc/23/47/15/1382234715.db2.gz JQMFHXOKPRXBEP-UHFFFAOYSA-N 0 0 337.391 3.048 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cc(F)cc(C(F)(F)F)c1 ZINC001162278724 1382718950 /nfs/dbraw/zinc/71/89/50/1382718950.db2.gz KSPKTPWFPDAPFG-UHFFFAOYSA-N 0 0 329.249 3.186 10 10 EGCERN CSc1ccc(O)c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162612140 1382808419 /nfs/dbraw/zinc/80/84/19/1382808419.db2.gz CXTPWODDXXGACE-UHFFFAOYSA-N 0 0 340.404 3.298 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCC1(CO)CC1 ZINC001163305955 1383017009 /nfs/dbraw/zinc/01/70/09/1383017009.db2.gz PVKICIDOYRITIE-UHFFFAOYSA-N 0 0 340.379 3.400 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001163876530 1383131991 /nfs/dbraw/zinc/13/19/91/1383131991.db2.gz BKWOQQNNDADKOX-IIAWOOMASA-N 0 0 330.453 3.453 10 10 EGCERN CN1CCCc2cc(CNC(=O)Cc3ccc4cnccc4c3)ccc21 ZINC001328741430 1388837539 /nfs/dbraw/zinc/83/75/39/1388837539.db2.gz RUGJABFPMBSJGR-UHFFFAOYSA-N 0 0 345.446 3.476 10 10 EGCERN O=C(CSCC(=O)c1ccccc1)NCc1cc(Cl)ccc1O ZINC001165498411 1383303002 /nfs/dbraw/zinc/30/30/02/1383303002.db2.gz NFVSMEGIRCQNJL-UHFFFAOYSA-N 0 0 349.839 3.278 10 10 EGCERN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)nn1C1CCCCC1 ZINC001298840582 1383437177 /nfs/dbraw/zinc/43/71/77/1383437177.db2.gz CRCNSZQVJRZUJH-UHFFFAOYSA-N 0 0 329.400 3.289 10 10 EGCERN Cc1ccc(C)c(C2=NO[C@H](C(=O)N[C@H](C)c3ccccc3O)C2)c1 ZINC001302532430 1383756834 /nfs/dbraw/zinc/75/68/34/1383756834.db2.gz BVPBJYFPTNFEOK-KUHUBIRLSA-N 0 0 338.407 3.379 10 10 EGCERN O=C(CCc1ccc2ccccc2c1O)NCc1c(O)cccc1O ZINC001304053091 1383825571 /nfs/dbraw/zinc/82/55/71/1383825571.db2.gz CDFPGCJGXMXCNW-UHFFFAOYSA-N 0 0 337.375 3.206 10 10 EGCERN CO[C@]12CCC[C@@]1(C(=O)NCc1c(O)ccc3ccccc31)CCO2 ZINC001304090594 1383829115 /nfs/dbraw/zinc/82/91/15/1383829115.db2.gz KMBYTEWTELTIME-PMACEKPBSA-N 0 0 341.407 3.095 10 10 EGCERN CC1(c2ccccc2)CC(NC(=O)NCc2c(O)cccc2F)C1 ZINC001312617468 1384360350 /nfs/dbraw/zinc/36/03/50/1384360350.db2.gz YCVLOFUPKNBYDT-UHFFFAOYSA-N 0 0 328.387 3.451 10 10 EGCERN CC[C@@H](C)[C@@H](O)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001313132754 1384398461 /nfs/dbraw/zinc/39/84/61/1384398461.db2.gz PTMXULDYKNKRHA-KUHUBIRLSA-N 0 0 343.471 3.300 10 10 EGCERN CCN(CC1CC1)c1nnc(C)n1CCCSc1nccs1 ZINC001313758176 1384432109 /nfs/dbraw/zinc/43/21/09/1384432109.db2.gz CMOKPOASJUVLOY-UHFFFAOYSA-N 0 0 337.518 3.462 10 10 EGCERN O=C(Cc1csc(-c2ccccc2)n1)NCc1cccc(O)c1O ZINC001176565898 1385627131 /nfs/dbraw/zinc/62/71/31/1385627131.db2.gz PQRUNZDBZFTCKO-UHFFFAOYSA-N 0 0 340.404 3.080 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc(F)c(Br)c1 ZINC001178412850 1386210064 /nfs/dbraw/zinc/21/00/64/1386210064.db2.gz IGSDRSUZACGMTD-UHFFFAOYSA-N 0 0 342.139 3.363 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](Cc3nccs3)C2)cc1 ZINC001180383276 1386780633 /nfs/dbraw/zinc/78/06/33/1386780633.db2.gz KRXOWWHPUNBDQT-LLVKDONJSA-N 0 0 343.412 3.010 10 10 EGCERN O=C(NCCCSc1nccs1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001330885245 1389554284 /nfs/dbraw/zinc/55/42/84/1389554284.db2.gz FXZOPCHHJOWWGV-MXWKQRLJSA-N 0 0 332.441 3.423 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3c(Cl)ccnc3F)ccc21 ZINC001346374166 1390928460 /nfs/dbraw/zinc/92/84/60/1390928460.db2.gz NNVRBKZZIPIOMP-UHFFFAOYSA-N 0 0 333.794 3.187 10 10 EGCERN O=C1c2cccnc2SC1c1nnc(N2CCCC2)n1CC1CC1 ZINC001347062895 1390997482 /nfs/dbraw/zinc/99/74/82/1390997482.db2.gz SMMKCXAZWBWXOR-UHFFFAOYSA-N 0 0 341.440 3.271 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H]2[C@H]2CCCOC2)c(C)n1-c1ccccn1 ZINC001347627131 1391102031 /nfs/dbraw/zinc/10/20/31/1391102031.db2.gz CDUZIKZNUZZIGM-FUHWJXTLSA-N 0 0 339.439 3.130 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@]12CCCOC2 ZINC001347661083 1391107883 /nfs/dbraw/zinc/10/78/83/1391107883.db2.gz OWTLGHNDTWPFNF-GOSISDBHSA-N 0 0 347.436 3.488 10 10 EGCERN COCC[C@H]1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC001349869236 1391378473 /nfs/dbraw/zinc/37/84/73/1391378473.db2.gz IMFUNDIBUFUHSB-MWWKQMNYSA-N 0 0 338.407 3.357 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1OCc2ccccc21 ZINC001350786818 1391531286 /nfs/dbraw/zinc/53/12/86/1391531286.db2.gz UFYLWJCWMUONRU-HXUWFJFHSA-N 0 0 349.434 3.134 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC(CC)(CC)OC ZINC001694637538 1406056483 /nfs/dbraw/zinc/05/64/83/1406056483.db2.gz RASBLCCLNABQOX-UHFFFAOYSA-N 0 0 346.475 3.388 10 10 EGCERN CCc1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694661881 1406060674 /nfs/dbraw/zinc/06/06/74/1406060674.db2.gz JHQXQCGTNFQCNT-OKILXGFUSA-N 0 0 345.466 3.186 10 10 EGCERN CCOC1CC(CCn2c(C)nnc2N(C)Cc2ccccc2O)C1 ZINC001710578943 1417468593 /nfs/dbraw/zinc/46/85/93/1417468593.db2.gz GYDZJEYOMZJNOC-UHFFFAOYSA-N 0 0 344.459 3.134 10 10 EGCERN Cc1nnc(N2CC[C@H]3CCC[C@H]32)n1Cc1ccc(N(C)C)cc1C ZINC001724237459 1424748618 /nfs/dbraw/zinc/74/86/18/1424748618.db2.gz ZVUDJKCLYIONSH-VQIMIIECSA-N 0 0 339.487 3.388 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2CC[C@H](C)C2)cc1 ZINC001728382245 1427147719 /nfs/dbraw/zinc/14/77/19/1427147719.db2.gz SVPGRRRHDKUIEJ-HNNXBMFYSA-N 0 0 327.476 3.327 10 10 EGCERN Cc1nc(-c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)no1 ZINC000033254188 202252647 /nfs/dbraw/zinc/25/26/47/202252647.db2.gz DDFXVRMDIDBLKG-UHFFFAOYSA-N 0 0 336.395 3.041 10 10 EGCERN Cc1nn(C)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000035677854 202308416 /nfs/dbraw/zinc/30/84/16/202308416.db2.gz NZBAIPNQIZHRDS-ZSOIEALJSA-N 0 0 329.450 3.130 10 10 EGCERN Oc1ccc(Br)cc1CN1CCOC[C@H]1CC(F)F ZINC000289959801 456196425 /nfs/dbraw/zinc/19/64/25/456196425.db2.gz YZMNIEIFWZZZDT-LLVKDONJSA-N 0 0 336.176 3.011 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000378421938 457394694 /nfs/dbraw/zinc/39/46/94/457394694.db2.gz JQKNMHQLQJQANJ-SWLSCSKDSA-N 0 0 332.227 3.127 10 10 EGCERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181023747 455277436 /nfs/dbraw/zinc/27/74/36/455277436.db2.gz NCAPXPGUZWJKKC-XGKLZFSYSA-N 0 0 339.391 3.100 10 10 EGCERN CC[C@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCS1 ZINC000078590392 454281424 /nfs/dbraw/zinc/28/14/24/454281424.db2.gz WKUJBOGTKNUAOG-IYNGYCSASA-N 0 0 336.413 3.113 10 10 EGCERN CCOc1ccc(O)c(CN2CCO[C@H](c3cccc(OC)c3)C2)c1 ZINC000093080308 454678976 /nfs/dbraw/zinc/67/89/76/454678976.db2.gz PHCXYZBDHIVUKZ-FQEVSTJZSA-N 0 0 343.423 3.373 10 10 EGCERN c1cc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)cs1 ZINC000093768338 454734521 /nfs/dbraw/zinc/73/45/21/454734521.db2.gz XEFMUIJXCONEDX-LJQANCHMSA-N 0 0 344.480 3.158 10 10 EGCERN C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191204167 455463629 /nfs/dbraw/zinc/46/36/29/455463629.db2.gz HOSCBRYUTMCYIA-LBPRGKRZSA-N 0 0 333.382 3.385 10 10 EGCERN C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1COc2ccccc21 ZINC000163308400 454838020 /nfs/dbraw/zinc/83/80/20/454838020.db2.gz UPRBMRHEFORTNG-CZUORRHYSA-N 0 0 326.396 3.098 10 10 EGCERN CCOC(=O)c1cc(C)n(Cc2cc(C(F)(F)F)ccc2O)n1 ZINC000142751734 454839031 /nfs/dbraw/zinc/83/90/31/454839031.db2.gz CXQMNLJYWXDORH-UHFFFAOYSA-N 0 0 328.290 3.141 10 10 EGCERN OC1CCN(c2ccc(CNc3ccnc(C4CC4)n3)cc2F)CC1 ZINC000110243149 454843445 /nfs/dbraw/zinc/84/34/45/454843445.db2.gz KNWXHNRVEWGBCK-UHFFFAOYSA-N 0 0 342.418 3.066 10 10 EGCERN CC(=O)c1cc(Cl)cc(CNC2(c3noc(C)n3)CCCC2)c1O ZINC000177268824 454844848 /nfs/dbraw/zinc/84/48/48/454844848.db2.gz HYQOPORFIBORNB-UHFFFAOYSA-N 0 0 349.818 3.499 10 10 EGCERN Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cc1C ZINC000112331363 454884772 /nfs/dbraw/zinc/88/47/72/454884772.db2.gz KGMGWXPQZBWHGR-UHFFFAOYSA-N 0 0 344.480 3.419 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c(O)c1O ZINC000177676821 454891091 /nfs/dbraw/zinc/89/10/91/454891091.db2.gz OKSZVBQLHYTWQU-HNNXBMFYSA-N 0 0 329.371 3.393 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(CN2CCC([NH+]3CCCC3)CC2)c1[O-] ZINC000127717344 454990783 /nfs/dbraw/zinc/99/07/83/454990783.db2.gz SOAZFBUQZUCQHM-UHFFFAOYSA-N 0 0 339.823 3.014 10 10 EGCERN CC(C)(C)SCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975457 455097201 /nfs/dbraw/zinc/09/72/01/455097201.db2.gz LJJOMOTVTZGTAK-HNNXBMFYSA-N 0 0 337.485 3.432 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1C[C@H]1C ZINC000266743643 455446064 /nfs/dbraw/zinc/44/60/64/455446064.db2.gz MWGONOZJUYVYGY-GHMZBOCLSA-N 0 0 341.249 3.342 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000185663435 455592056 /nfs/dbraw/zinc/59/20/56/455592056.db2.gz AFJVTCRSFSBTPI-GZMMTYOYSA-N 0 0 327.215 3.476 10 10 EGCERN COc1cccc(CNc2cc(N3CCC[C@@H](C)C3)ncn2)c1O ZINC000271635272 455706652 /nfs/dbraw/zinc/70/66/52/455706652.db2.gz ONPZSXSSAFBPKN-CYBMUJFWSA-N 0 0 328.416 3.039 10 10 EGCERN COc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294202591 455807844 /nfs/dbraw/zinc/80/78/44/455807844.db2.gz KVTLEIMUNNUOHZ-INIZCTEOSA-N 0 0 325.767 3.017 10 10 EGCERN O=C(c1cccc(O)c1O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000187209903 455881854 /nfs/dbraw/zinc/88/18/54/455881854.db2.gz AKVNTXXIFQJAGG-ZDUSSCGKSA-N 0 0 333.771 3.045 10 10 EGCERN O=C1N=C(N2CCCCC2)S/C1=C\c1ccnn1-c1ccccc1 ZINC000280384527 455960722 /nfs/dbraw/zinc/96/07/22/455960722.db2.gz FABYGYVYHFAAMO-SSZFMOIBSA-N 0 0 338.436 3.329 10 10 EGCERN CN(Cc1ccccc1O)C(=O)CO[C@H]1CCCc2ccccc21 ZINC000280652350 456023621 /nfs/dbraw/zinc/02/36/21/456023621.db2.gz DQWMWLVMMUTZKJ-IBGZPJMESA-N 0 0 325.408 3.445 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C2CC2)n1 ZINC000296881257 456059520 /nfs/dbraw/zinc/05/95/20/456059520.db2.gz MFOBKZNQFHEXCI-NSHDSACASA-N 0 0 327.384 3.123 10 10 EGCERN CC(C)c1nn(C)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000280841031 456063671 /nfs/dbraw/zinc/06/36/71/456063671.db2.gz WEMHUGQISUNFMA-UHFFFAOYSA-N 0 0 343.431 3.040 10 10 EGCERN CCOc1ccc(O)c(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000188487766 456071735 /nfs/dbraw/zinc/07/17/35/456071735.db2.gz SRLRATSKCUZXQI-CYBMUJFWSA-N 0 0 330.432 3.083 10 10 EGCERN COC(=O)COc1ccc(N(C)Cc2cc(C(C)(C)C)on2)cc1 ZINC000289307797 456120455 /nfs/dbraw/zinc/12/04/55/456120455.db2.gz CIAGSHVYOGPDCR-UHFFFAOYSA-N 0 0 332.400 3.160 10 10 EGCERN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000273388032 456226471 /nfs/dbraw/zinc/22/64/71/456226471.db2.gz KBRPMPUSRDFIOQ-NEPJUHHUSA-N 0 0 344.367 3.483 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2noc(C)n2)c1O ZINC000364187932 457517104 /nfs/dbraw/zinc/51/71/04/457517104.db2.gz CJTWIPZOBCYGNK-HNNXBMFYSA-N 0 0 333.363 3.153 10 10 EGCERN COc1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c(O)c1 ZINC000529229034 459826153 /nfs/dbraw/zinc/82/61/53/459826153.db2.gz RARLNZMOXHLXSC-FHLIZLRMSA-N 0 0 343.810 3.256 10 10 EGCERN CCc1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)no1 ZINC000606889176 460754696 /nfs/dbraw/zinc/75/46/96/460754696.db2.gz LEYLFYYBAORSBA-UHFFFAOYSA-N 0 0 341.411 3.129 10 10 EGCERN CCC1(CC)CN(C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662506907 461273312 /nfs/dbraw/zinc/27/33/12/461273312.db2.gz OECACHOVEMHUBN-AWEZNQCLSA-N 0 0 338.455 3.205 10 10 EGCERN COc1cccc(CNC(=S)Nc2ccc(OC)c(Cl)c2)n1 ZINC000726906609 574608008 /nfs/dbraw/zinc/60/80/08/574608008.db2.gz XKAKLCHEQXTDKB-UHFFFAOYSA-N 0 0 337.832 3.239 10 10 EGCERN CCCCCC[C@@H](C)NC(=O)COC(=O)c1ccc(C)c(O)c1O ZINC000727005029 574630709 /nfs/dbraw/zinc/63/07/09/574630709.db2.gz DEHHSDNQGNLIQK-CYBMUJFWSA-N 0 0 337.416 3.038 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000729535576 574869171 /nfs/dbraw/zinc/86/91/71/574869171.db2.gz UEGZLXVDBATJMM-NSHDSACASA-N 0 0 330.340 3.108 10 10 EGCERN CCCCCCOCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000730747608 575015912 /nfs/dbraw/zinc/01/59/12/575015912.db2.gz PTHKQBZTRPIXTG-UHFFFAOYSA-N 0 0 348.487 3.331 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000732272899 575251792 /nfs/dbraw/zinc/25/17/92/575251792.db2.gz RNRDDBQULYLZIV-UHFFFAOYSA-N 0 0 339.363 3.416 10 10 EGCERN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(N2CCCC2=O)cc1 ZINC000732278593 575253920 /nfs/dbraw/zinc/25/39/20/575253920.db2.gz CIHVFRIRVANTNS-LLVKDONJSA-N 0 0 330.409 3.072 10 10 EGCERN COCCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000733188938 575318746 /nfs/dbraw/zinc/31/87/46/575318746.db2.gz SJBUZIHLTOAYTF-CSKARUKUSA-N 0 0 348.399 3.176 10 10 EGCERN CCOC[C@H](O)CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734638787 575535237 /nfs/dbraw/zinc/53/52/37/575535237.db2.gz JSRCHGSEKDUQAK-LJQANCHMSA-N 0 0 341.451 3.416 10 10 EGCERN CN1CC[C@H](N2CCCc3cc(OCc4ccccc4)ccc32)C1=O ZINC000734836836 575563660 /nfs/dbraw/zinc/56/36/60/575563660.db2.gz FRNMSKHYMCOODZ-FQEVSTJZSA-N 0 0 336.435 3.249 10 10 EGCERN C[C@@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(C)(C)O ZINC000738992016 576372712 /nfs/dbraw/zinc/37/27/12/576372712.db2.gz YBJHTNZMBAQVCD-OAHLLOKOSA-N 0 0 347.503 3.414 10 10 EGCERN C[C@H](Cc1ccccc1Br)NC(=O)Cc1ccc(N)cc1 ZINC000162213226 1294310725 /nfs/dbraw/zinc/31/07/25/1294310725.db2.gz KGDMTYXBXLHNFS-GFCCVEGCSA-N 0 0 347.256 3.321 10 10 EGCERN CO[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190402940 1295587352 /nfs/dbraw/zinc/58/73/52/1295587352.db2.gz JRZQIBCQRFLZTK-IEBWSBKVSA-N 0 0 345.487 3.386 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C(F)F)C2)cc1 ZINC000194109241 1295943761 /nfs/dbraw/zinc/94/37/61/1295943761.db2.gz WLTKIORCTIHUMB-INIZCTEOSA-N 0 0 334.366 3.200 10 10 EGCERN Cc1ccc(C2(C(=O)N3Cc4cccc(O)c4C3)CCOCC2)cc1 ZINC000871202261 1296271026 /nfs/dbraw/zinc/27/10/26/1296271026.db2.gz BLBDRRIHRDYKCL-UHFFFAOYSA-N 0 0 337.419 3.291 10 10 EGCERN COc1cc(NC(=S)NCc2ccccn2)c(OC)cc1Cl ZINC000243877028 1296296214 /nfs/dbraw/zinc/29/62/14/1296296214.db2.gz RMKNRJBAKAKHAL-UHFFFAOYSA-N 0 0 337.832 3.239 10 10 EGCERN CCO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715737414 1298287244 /nfs/dbraw/zinc/28/72/44/1298287244.db2.gz IZOIPSGKAFZZLB-GFCCVEGCSA-N 0 0 332.213 3.295 10 10 EGCERN CC(=O)N1CCCN(Cc2ccc(F)c(F)c2[O-])c2ccccc21 ZINC000877534501 1299376541 /nfs/dbraw/zinc/37/65/41/1299376541.db2.gz BJQXTZKEWHOUMC-UHFFFAOYSA-N 0 0 332.350 3.434 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC000880343966 1301073402 /nfs/dbraw/zinc/07/34/02/1301073402.db2.gz MOBUHNJWFLWTRE-ALKREAHSSA-N 0 0 328.456 3.074 10 10 EGCERN CC(C)c1c[nH]c(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000893879727 1306110538 /nfs/dbraw/zinc/11/05/38/1306110538.db2.gz IFTHDVGXOKDQEO-MRXNPFEDSA-N 0 0 329.444 3.420 10 10 EGCERN C[N@H+](Cc1cc(F)cc(F)c1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000894944630 1309131588 /nfs/dbraw/zinc/13/15/88/1309131588.db2.gz FGUCZBUFNLYFJM-UHFFFAOYSA-N 0 0 338.320 3.129 10 10 EGCERN CC(=O)Nc1cccc2c1CN(Cc1cc(F)cc(F)c1[O-])CC2 ZINC000895440514 1309335885 /nfs/dbraw/zinc/33/58/85/1309335885.db2.gz SETNDVKTWCRAJW-UHFFFAOYSA-N 0 0 332.350 3.187 10 10 EGCERN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000895477430 1309359310 /nfs/dbraw/zinc/35/93/10/1309359310.db2.gz UQJJNJYAQVHHHM-HNNXBMFYSA-N 0 0 348.349 3.128 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721811 1309489688 /nfs/dbraw/zinc/48/96/88/1309489688.db2.gz KFMREKANKIGFGH-CYBMUJFWSA-N 0 0 346.254 3.062 10 10 EGCERN CCO[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000896665353 1309966083 /nfs/dbraw/zinc/96/60/83/1309966083.db2.gz LGSADTDMNZILML-HOTGVXAUSA-N 0 0 347.436 3.390 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H](c1ccncc1)C1CCCC1 ZINC000897068123 1310164254 /nfs/dbraw/zinc/16/42/54/1310164254.db2.gz MBJFOZRIPXJTJP-LJQANCHMSA-N 0 0 340.423 3.126 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000897295581 1310275552 /nfs/dbraw/zinc/27/55/52/1310275552.db2.gz ZTVICTFEADUWTM-SNVBAGLBSA-N 0 0 329.381 3.013 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000897697270 1310437213 /nfs/dbraw/zinc/43/72/13/1310437213.db2.gz XXLRIPCHRFFJDO-SMDDNHRTSA-N 0 0 333.409 3.096 10 10 EGCERN O=C(NC[C@@H]1CCOC2(CCC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897898592 1310511823 /nfs/dbraw/zinc/51/18/23/1310511823.db2.gz MZILUOXZALNEOK-LLVKDONJSA-N 0 0 347.436 3.392 10 10 EGCERN CO[C@@](C)([C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000897974629 1310534835 /nfs/dbraw/zinc/53/48/35/1310534835.db2.gz WMNATFSLWSWLPT-XLFHBGCDSA-N 0 0 335.425 3.246 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000898075971 1310580374 /nfs/dbraw/zinc/58/03/74/1310580374.db2.gz KSZTXOQEQQSRNW-WCQYABFASA-N 0 0 347.436 3.344 10 10 EGCERN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000898437456 1310733911 /nfs/dbraw/zinc/73/39/11/1310733911.db2.gz WGUHDJNNRGQPSV-PBHICJAKSA-N 0 0 347.436 3.390 10 10 EGCERN COC(=O)Nc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000857547492 1328546846 /nfs/dbraw/zinc/54/68/46/1328546846.db2.gz GZLYCIPCLNAZLC-UHFFFAOYSA-N 0 0 334.759 3.154 10 10 EGCERN COc1cc(C)c(NC(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000929261401 1328551177 /nfs/dbraw/zinc/55/11/77/1328551177.db2.gz GKPRZHQTBJCTLW-UHFFFAOYSA-N 0 0 328.368 3.266 10 10 EGCERN C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000857875104 1328612021 /nfs/dbraw/zinc/61/20/21/1328612021.db2.gz GIKAJVKHPDHNIG-QFYYESIMSA-N 0 0 332.350 3.034 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCn2cncc21 ZINC000857986495 1328650027 /nfs/dbraw/zinc/65/00/27/1328650027.db2.gz QBKMMXGSMATBNB-CYBMUJFWSA-N 0 0 326.425 3.227 10 10 EGCERN Cc1cc(C(=O)NC[C@@H]2CC3(CCC3)CO2)c(C)n1-c1ccccn1 ZINC000899427542 1317032372 /nfs/dbraw/zinc/03/23/72/1317032372.db2.gz MVVLRYQAOXWLGT-INIZCTEOSA-N 0 0 339.439 3.178 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@@H]2COc3c2ccc(C)c3C)c1 ZINC000858188063 1328707475 /nfs/dbraw/zinc/70/74/75/1328707475.db2.gz QTQKDFLJWGJSBW-MRXNPFEDSA-N 0 0 326.396 3.250 10 10 EGCERN CNC(=O)c1ccc(NC/C=C\c2ccc(N(C)C)cc2)c(OC)c1 ZINC000858217859 1328713380 /nfs/dbraw/zinc/71/33/80/1328713380.db2.gz AIYWHGYRIVNWGL-WAYWQWQTSA-N 0 0 339.439 3.246 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)c1 ZINC000858464195 1328768439 /nfs/dbraw/zinc/76/84/39/1328768439.db2.gz IXDSERIHAMZAGI-RHSMWYFYSA-N 0 0 346.471 3.236 10 10 EGCERN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000858471743 1328770138 /nfs/dbraw/zinc/77/01/38/1328770138.db2.gz DWVOMDWNEZIXNP-ONGXEEELSA-N 0 0 329.318 3.323 10 10 EGCERN C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(F)cc(F)c1[O-] ZINC000858528806 1328789400 /nfs/dbraw/zinc/78/94/00/1328789400.db2.gz FQOLIWYODMSZFS-HWPZZCPQSA-N 0 0 332.350 3.148 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)C[C@H]4C[C@H]4C3)C2)cc1 ZINC000858598079 1328806655 /nfs/dbraw/zinc/80/66/55/1328806655.db2.gz BODANWDWPUFBLX-QOIOWGMHSA-N 0 0 343.471 3.009 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@]2(C)CCOc3ccccc32)cc1 ZINC000913926686 1319179139 /nfs/dbraw/zinc/17/91/39/1319179139.db2.gz JXXSIDGCZWVGOV-HXUWFJFHSA-N 0 0 339.439 3.250 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000914180245 1319258651 /nfs/dbraw/zinc/25/86/51/1319258651.db2.gz JHKCMMYACFUTAX-DZGCQCFKSA-N 0 0 341.377 3.284 10 10 EGCERN O=C(NCc1ccccc1N1CCCC1)NCc1c(O)cccc1F ZINC000914357353 1319307104 /nfs/dbraw/zinc/30/71/04/1319307104.db2.gz AWHDFDCBGMMFOJ-UHFFFAOYSA-N 0 0 343.402 3.131 10 10 EGCERN CCc1onc(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000914484664 1319334768 /nfs/dbraw/zinc/33/47/68/1319334768.db2.gz LIIQVPCSZWXLPS-UHFFFAOYSA-N 0 0 327.428 3.416 10 10 EGCERN CN1CCCc2cc(CNC(=O)NC[C@@H]3C[C@H]3C(F)(F)F)ccc21 ZINC000915389565 1319479632 /nfs/dbraw/zinc/47/96/32/1319479632.db2.gz ADBDOKMSEOHJAU-UONOGXRCSA-N 0 0 341.377 3.067 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000916142980 1319608123 /nfs/dbraw/zinc/60/81/23/1319608123.db2.gz OXAHKCFPUUCUGA-MSOLQXFVSA-N 0 0 344.386 3.251 10 10 EGCERN CN(C)c1ccc(CN(Cc2cnn(-c3ccccc3)n2)C2CC2)cc1 ZINC000917075091 1319749915 /nfs/dbraw/zinc/74/99/15/1319749915.db2.gz PSRPQKDEUNDIJQ-UHFFFAOYSA-N 0 0 347.466 3.498 10 10 EGCERN C/C=C/CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000858889177 1328884158 /nfs/dbraw/zinc/88/41/58/1328884158.db2.gz CXWMXPKPNAORJR-NSCUHMNNSA-N 0 0 339.386 3.132 10 10 EGCERN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C12CC(C1)C2 ZINC000859098427 1328922490 /nfs/dbraw/zinc/92/24/90/1328922490.db2.gz HJULFAJJQUBBOE-UHFFFAOYSA-N 0 0 336.382 3.173 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)C[C@H]1CCCO1 ZINC000859099005 1328923204 /nfs/dbraw/zinc/92/32/04/1328923204.db2.gz GATXRBHBUIYYPJ-QGZVFWFLSA-N 0 0 340.423 3.158 10 10 EGCERN C[C@H](NS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1O ZINC000919116933 1322028861 /nfs/dbraw/zinc/02/88/61/1322028861.db2.gz ARNSMUCLGPNIHP-KCTSRDHCSA-N 0 0 335.400 3.068 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000921533659 1322342746 /nfs/dbraw/zinc/34/27/46/1322342746.db2.gz RGBHGCHKMZVLMA-CYBMUJFWSA-N 0 0 336.407 3.212 10 10 EGCERN CC(C)(C)Oc1ccc(CNC(=O)NCc2c(O)cccc2F)cn1 ZINC000921845362 1322411101 /nfs/dbraw/zinc/41/11/01/1322411101.db2.gz MAXDHXOCCOGCPZ-UHFFFAOYSA-N 0 0 347.390 3.103 10 10 EGCERN C[NH+](C)CC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cccnc1 ZINC000922628771 1322575019 /nfs/dbraw/zinc/57/50/19/1322575019.db2.gz RLKQDIBMSBECHQ-OAHLLOKOSA-N 0 0 337.826 3.362 10 10 EGCERN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccc2c(c1)CCCO2 ZINC000923358621 1322739993 /nfs/dbraw/zinc/73/99/93/1322739993.db2.gz IZEKOXKPXRWINP-GFCCVEGCSA-N 0 0 344.386 3.417 10 10 EGCERN CN1CCCc2cc(CNC(=O)[C@@]34CCO[C@@H]3CCCC4)ccc21 ZINC000931152793 1329062150 /nfs/dbraw/zinc/06/21/50/1329062150.db2.gz ZGYIXVQYSLIXRN-QUCCMNQESA-N 0 0 328.456 3.035 10 10 EGCERN CCN(C)C(=O)c1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000931421517 1329114047 /nfs/dbraw/zinc/11/40/47/1329114047.db2.gz SBGSWKKSOYOLLL-UHFFFAOYSA-N 0 0 339.395 3.032 10 10 EGCERN Cc1cc(F)ccc1[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925213209 1325082090 /nfs/dbraw/zinc/08/20/90/1325082090.db2.gz QXOHKPPEVSMDAN-CYBMUJFWSA-N 0 0 342.370 3.365 10 10 EGCERN Cc1nc2c(o1)CCC[C@@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000926725069 1327684791 /nfs/dbraw/zinc/68/47/91/1327684791.db2.gz NYYDQMLBZILQKG-SFHVURJKSA-N 0 0 341.455 3.111 10 10 EGCERN C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926905183 1327767380 /nfs/dbraw/zinc/76/73/80/1327767380.db2.gz MKYKYANKPGEJCY-NURSFMCSSA-N 0 0 348.321 3.451 10 10 EGCERN O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1c(O)cccc1F ZINC000928704954 1328403417 /nfs/dbraw/zinc/40/34/17/1328403417.db2.gz BHHGNAPPVPKTBI-OAHLLOKOSA-N 0 0 329.371 3.437 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc([C@H]2CCCOC2)cc1 ZINC000928709215 1328404728 /nfs/dbraw/zinc/40/47/28/1328404728.db2.gz YUSIHNZHXGGWLU-HNNXBMFYSA-N 0 0 329.371 3.355 10 10 EGCERN CC(=O)c1cccc(OCCCC(=O)NCc2c(O)cccc2F)c1 ZINC000928711821 1328407531 /nfs/dbraw/zinc/40/75/31/1328407531.db2.gz LLOCOHHTJCRXNL-UHFFFAOYSA-N 0 0 345.370 3.209 10 10 EGCERN CO[C@H]1C[C@@H](N(C)C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000861664849 1329434945 /nfs/dbraw/zinc/43/49/45/1329434945.db2.gz FJRUUUFFMQWIAU-CALCHBBNSA-N 0 0 340.423 3.156 10 10 EGCERN CC[C@@H](C)c1cccc(NC(=O)C(=O)NCc2cc(C)ccc2O)c1 ZINC000862025041 1329455671 /nfs/dbraw/zinc/45/56/71/1329455671.db2.gz LUZNURQVPNGDSG-CQSZACIVSA-N 0 0 340.423 3.469 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC12CCSCC2 ZINC000862026402 1329455707 /nfs/dbraw/zinc/45/57/07/1329455707.db2.gz NDXKERSSPKFKPL-AWEZNQCLSA-N 0 0 328.437 3.090 10 10 EGCERN CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027536 1329455960 /nfs/dbraw/zinc/45/59/60/1329455960.db2.gz WCYMEOSWCZVALY-RHSMWYFYSA-N 0 0 342.439 3.398 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCC34CC4)C2)cc1 ZINC000862035304 1329456299 /nfs/dbraw/zinc/45/62/99/1329456299.db2.gz PUEHHVYYAAMAMR-CRAIPNDOSA-N 0 0 328.456 3.218 10 10 EGCERN COc1ccc(N2CCC[N@H+](Cc3ccnc(F)c3C)CC2)cc1 ZINC000862231142 1329468550 /nfs/dbraw/zinc/46/85/50/1329468550.db2.gz DAZQKWADARUXRK-UHFFFAOYSA-N 0 0 329.419 3.250 10 10 EGCERN CN(C)c1cc(F)c(CN2CC=C(c3ccnn3C)CC2)cc1F ZINC000862362897 1329477979 /nfs/dbraw/zinc/47/79/79/1329477979.db2.gz GECXTUQYYZQXAY-UHFFFAOYSA-N 0 0 332.398 3.054 10 10 EGCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000862755526 1329506675 /nfs/dbraw/zinc/50/66/75/1329506675.db2.gz VLKALHWEDLXXCW-KGLIPLIRSA-N 0 0 333.428 3.075 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N3CC4(C3)CCCO4)c2C)cc1 ZINC000862821581 1329512858 /nfs/dbraw/zinc/51/28/58/1329512858.db2.gz TZOIBPFIQIJOPS-UHFFFAOYSA-N 0 0 340.423 3.108 10 10 EGCERN CO[C@H]1C[C@@H](CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000863771942 1329580054 /nfs/dbraw/zinc/58/00/54/1329580054.db2.gz OVSPFWUJJDWIOY-WOVMCDHWSA-N 0 0 340.423 3.061 10 10 EGCERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000864918875 1329651518 /nfs/dbraw/zinc/65/15/18/1329651518.db2.gz MWQYXYHGMTXKHN-BVPBIZIASA-N 0 0 330.497 3.148 10 10 EGCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000864918876 1329651644 /nfs/dbraw/zinc/65/16/44/1329651644.db2.gz MWQYXYHGMTXKHN-QCSYZSNVSA-N 0 0 330.497 3.148 10 10 EGCERN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])c1ccnn1C ZINC000866615545 1330133392 /nfs/dbraw/zinc/13/33/92/1330133392.db2.gz VITAWABOHVRQEY-DTWKUNHWSA-N 0 0 342.212 3.439 10 10 EGCERN COc1cccc(OCCCNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868294278 1330267879 /nfs/dbraw/zinc/26/78/79/1330267879.db2.gz UYGOHCMSIWWWDP-AWEZNQCLSA-N 0 0 344.411 3.230 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1O ZINC000868441377 1330281143 /nfs/dbraw/zinc/28/11/43/1330281143.db2.gz SREORJWWDWHPKU-LBRJOISOSA-N 0 0 330.428 3.100 10 10 EGCERN C[C@H](NC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)c1ccc(N(C)C)cc1 ZINC000868514466 1330288794 /nfs/dbraw/zinc/28/87/94/1330288794.db2.gz CNTGBNWUNUJBLK-RUGDWHBFSA-N 0 0 345.487 3.005 10 10 EGCERN CCOC1CC2(C[C@@H]2C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000868890350 1330368211 /nfs/dbraw/zinc/36/82/11/1330368211.db2.gz RKNWXZMPAPYGIG-JIFINUTQSA-N 0 0 344.499 3.313 10 10 EGCERN CN1Cc2ccccc2[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000869108001 1330414817 /nfs/dbraw/zinc/41/48/17/1330414817.db2.gz KNTBHVSVDQAHSD-INIZCTEOSA-N 0 0 345.830 3.032 10 10 EGCERN COc1ccc(N(CCNC(=O)NC(C)C)Cc2cccs2)cc1 ZINC001191582317 1367534814 /nfs/dbraw/zinc/53/48/14/1367534814.db2.gz ONWXMKJJYYQJMU-UHFFFAOYSA-N 0 0 347.484 3.471 10 10 EGCERN COC1CCN(c2ccc(CN[C@@H](C)c3csnn3)cc2)CC1 ZINC001195241405 1368406544 /nfs/dbraw/zinc/40/65/44/1368406544.db2.gz AXKWTKZYJGHNTI-ZDUSSCGKSA-N 0 0 332.473 3.004 10 10 EGCERN COc1ccc(N(C)CCN(C)CC(=O)Nc2cccc(C)c2)cc1 ZINC001195789726 1368491013 /nfs/dbraw/zinc/49/10/13/1368491013.db2.gz NXZUZHFDRBOCJL-UHFFFAOYSA-N 0 0 341.455 3.010 10 10 EGCERN O=[N+]([O-])c1c(NCc2ccc3cccnc3c2O)nc2ccccn21 ZINC001186748723 1388003829 /nfs/dbraw/zinc/00/38/29/1388003829.db2.gz VRNKEHUWSPNWKO-UHFFFAOYSA-N 0 0 335.323 3.108 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2ncc[nH]2)CC1 ZINC001119519806 1371361381 /nfs/dbraw/zinc/36/13/81/1371361381.db2.gz UAYZCXMHLVLWDQ-UHFFFAOYSA-N 0 0 343.408 3.055 10 10 EGCERN CN(C)c1ccc(CN(C(=O)Nc2ccc(CO)cc2)C2CC2)cc1 ZINC001123433744 1372466282 /nfs/dbraw/zinc/46/62/82/1372466282.db2.gz ADWKCJVJZYLFJP-UHFFFAOYSA-N 0 0 339.439 3.441 10 10 EGCERN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N(C)C2CCC2)no1 ZINC001123856435 1372607804 /nfs/dbraw/zinc/60/78/04/1372607804.db2.gz UBSUCCDSGZLRJL-UHFFFAOYSA-N 0 0 345.428 3.046 10 10 EGCERN CC[C@@H](C)n1ncc(C(=O)NCc2cccc(O)c2O)c1C1CC1 ZINC001123977712 1372644643 /nfs/dbraw/zinc/64/46/43/1372644643.db2.gz LXYCWAURSHTJMC-LLVKDONJSA-N 0 0 329.400 3.073 10 10 EGCERN CO[C@@H]1CCC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001124549300 1372711455 /nfs/dbraw/zinc/71/14/55/1372711455.db2.gz HCGINMHBQDASTG-PKOBYXMFSA-N 0 0 330.472 3.450 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\COc1ccccc1 ZINC001126522762 1372972033 /nfs/dbraw/zinc/97/20/33/1372972033.db2.gz HPNQIXDRDVDUML-TWGQIWQCSA-N 0 0 338.407 3.113 10 10 EGCERN C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001128248159 1373240762 /nfs/dbraw/zinc/24/07/62/1373240762.db2.gz YJYBFUQEXNVUGO-RRQGHBQHSA-N 0 0 346.471 3.298 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2ccc(OC)c(C)c2)cc1 ZINC001130745452 1373587654 /nfs/dbraw/zinc/58/76/54/1373587654.db2.gz XBUAGUIGMWARKK-UHFFFAOYSA-N 0 0 342.439 3.221 10 10 EGCERN Cc1cc(CC(=O)N=S2(=O)CCCC2)c(C)n1-c1ccccc1 ZINC001132066610 1375129903 /nfs/dbraw/zinc/12/99/03/1375129903.db2.gz LFQWWYRMCCMVKO-UHFFFAOYSA-N 0 0 330.453 3.425 10 10 EGCERN CC[C@@](C)(CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001228766667 1375669319 /nfs/dbraw/zinc/66/93/19/1375669319.db2.gz RZDGMTSZTUOZQI-BEFAXECRSA-N 0 0 335.492 3.106 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@@H]3C)CC2)cc1 ZINC001266269428 1377254480 /nfs/dbraw/zinc/25/44/80/1377254480.db2.gz YUNUYKRFPDZDMP-IUVQAAGXSA-N 0 0 328.456 3.026 10 10 EGCERN CCCCCc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)[nH]n1 ZINC001136453911 1377394961 /nfs/dbraw/zinc/39/49/61/1377394961.db2.gz BLNBIMIEZFDJDW-UHFFFAOYSA-N 0 0 332.423 3.278 10 10 EGCERN CCc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)no1 ZINC001136705377 1377416397 /nfs/dbraw/zinc/41/63/97/1377416397.db2.gz KIESLTCANOJOMW-UHFFFAOYSA-N 0 0 327.428 3.403 10 10 EGCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nc(C(C)(C)C)no1 ZINC001137113801 1377481087 /nfs/dbraw/zinc/48/10/87/1377481087.db2.gz XJGYBBYMHCLJFK-SECBINFHSA-N 0 0 344.375 3.021 10 10 EGCERN O=C(NCc1ccccc1O)c1cc(F)cc(Br)c1F ZINC001137471520 1377553977 /nfs/dbraw/zinc/55/39/77/1377553977.db2.gz OYMRYSKTXYQGJQ-UHFFFAOYSA-N 0 0 342.139 3.363 10 10 EGCERN O=C(C[C@H]1CCCN1C(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC001137688611 1377592165 /nfs/dbraw/zinc/59/21/65/1377592165.db2.gz NDDYJENTKJDMLL-CQSZACIVSA-N 0 0 343.354 3.115 10 10 EGCERN Cc1cc(C(=O)NC[C@H](CO)C(C)C)c(C)n1-c1cccc(C)c1 ZINC001140146600 1378020633 /nfs/dbraw/zinc/02/06/33/1378020633.db2.gz HLKJKEQSBLWTBB-QGZVFWFLSA-N 0 0 328.456 3.397 10 10 EGCERN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2O1 ZINC001141184132 1378261850 /nfs/dbraw/zinc/26/18/50/1378261850.db2.gz MAHAQUJJDOEBSP-DERGHVRDSA-N 0 0 325.364 3.140 10 10 EGCERN O=C(Nc1n[nH]c(-c2ccc3ccccc3n2)n1)C1=CC(=O)CS1 ZINC001141313632 1378298945 /nfs/dbraw/zinc/29/89/45/1378298945.db2.gz HCVHJBKWWPIFLV-UHFFFAOYSA-N 0 0 337.364 3.039 10 10 EGCERN CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001141731869 1378367384 /nfs/dbraw/zinc/36/73/84/1378367384.db2.gz HAXDJMKOZNHARL-ZDUSSCGKSA-N 0 0 329.396 3.305 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001142044210 1378408106 /nfs/dbraw/zinc/40/81/06/1378408106.db2.gz XKIFZXKOPGJAJS-NRFANRHFSA-N 0 0 348.402 3.074 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc2c[nH]nc21 ZINC001142418815 1378441043 /nfs/dbraw/zinc/44/10/43/1378441043.db2.gz LDLHLJNSTOLUOH-AWEZNQCLSA-N 0 0 336.439 3.298 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3ccc(Cl)c(F)c3N)ccc21 ZINC001142465944 1378444650 /nfs/dbraw/zinc/44/46/50/1378444650.db2.gz YKVPFMBGWJRRTG-UHFFFAOYSA-N 0 0 347.821 3.374 10 10 EGCERN O=C(CCc1cccc(F)c1F)NCc1ccc2cccnc2c1O ZINC001142728252 1378482848 /nfs/dbraw/zinc/48/28/48/1378482848.db2.gz PFDNKGNGIQTLSX-UHFFFAOYSA-N 0 0 342.345 3.468 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/C=C(Cl)Cl ZINC001147888149 1379097415 /nfs/dbraw/zinc/09/74/15/1379097415.db2.gz KFZAFCDKVLEJRE-HWKANZROSA-N 0 0 327.211 3.353 10 10 EGCERN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)nn1-c1ccc(C)cc1 ZINC001152503528 1379942674 /nfs/dbraw/zinc/94/26/74/1379942674.db2.gz WGIMLXISXQSRKJ-UHFFFAOYSA-N 0 0 337.379 3.082 10 10 EGCERN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)C2=CC(=O)CS2)c1 ZINC001155700799 1380483637 /nfs/dbraw/zinc/48/36/37/1380483637.db2.gz PXBBOLGOTKMBLV-UHFFFAOYSA-N 0 0 349.412 3.126 10 10 EGCERN Cn1nc(C(=O)NCc2c(O)ccc3ccccc32)cc1C(F)F ZINC001157050461 1380761004 /nfs/dbraw/zinc/76/10/04/1380761004.db2.gz HCRHDJRTCLADHF-UHFFFAOYSA-N 0 0 331.322 3.147 10 10 EGCERN COc1cccc(C2(NC(=O)c3ccc(N=NC(N)=O)cc3)CC2)c1 ZINC001157452800 1380903564 /nfs/dbraw/zinc/90/35/64/1380903564.db2.gz OSDJKKSZASTTPM-UHFFFAOYSA-N 0 0 338.367 3.277 10 10 EGCERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001160557246 1382141019 /nfs/dbraw/zinc/14/10/19/1382141019.db2.gz UGXUAFWSBOFCEW-YWEYNIOJSA-N 0 0 344.323 3.057 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC001161121001 1382306167 /nfs/dbraw/zinc/30/61/67/1382306167.db2.gz LDQIUXIBBHBPSZ-PBHICJAKSA-N 0 0 340.423 3.204 10 10 EGCERN COC(=O)c1cc(CSc2ncc(-c3ccccc3)n2C)on1 ZINC001165274407 1383264202 /nfs/dbraw/zinc/26/42/02/1383264202.db2.gz ALSSYIGFHNVLPC-UHFFFAOYSA-N 0 0 329.381 3.154 10 10 EGCERN COC1(CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CCC1 ZINC001299379519 1383519613 /nfs/dbraw/zinc/51/96/13/1383519613.db2.gz JDAMYXLTZBMEDP-UHFFFAOYSA-N 0 0 340.423 3.206 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](O)C1CCCCC1 ZINC001299477891 1383539046 /nfs/dbraw/zinc/53/90/46/1383539046.db2.gz IBUPWZYZEWNHTL-BEFAXECRSA-N 0 0 332.488 3.049 10 10 EGCERN O=C(CNc1cccc(Cl)c1)NCc1ccc2cccnc2c1O ZINC001299721471 1383622915 /nfs/dbraw/zinc/62/29/15/1383622915.db2.gz LMNJDSYDSFSBCI-UHFFFAOYSA-N 0 0 341.798 3.322 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(-c2c[nH]cn2)cc1 ZINC001300396094 1383662424 /nfs/dbraw/zinc/66/24/24/1383662424.db2.gz JOUCMRLULOLLFY-UHFFFAOYSA-N 0 0 327.771 3.366 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001301140459 1383698165 /nfs/dbraw/zinc/69/81/65/1383698165.db2.gz NLWVDHAACURECG-OAHLLOKOSA-N 0 0 335.306 3.065 10 10 EGCERN C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1O ZINC001302532677 1383756892 /nfs/dbraw/zinc/75/68/92/1383756892.db2.gz OLMMWIWISCHEAI-NSHDSACASA-N 0 0 343.408 3.314 10 10 EGCERN CC(C)c1nn(C)c2sc(C(=O)NCc3cc(O)ccc3O)cc12 ZINC001303225686 1383788777 /nfs/dbraw/zinc/78/87/77/1383788777.db2.gz NHUFIYDMAHVOMD-UHFFFAOYSA-N 0 0 345.424 3.099 10 10 EGCERN Cc1[nH]nc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1-c1cccnc1 ZINC001303456796 1383799305 /nfs/dbraw/zinc/79/93/05/1383799305.db2.gz MLVBHSZMEGWMEP-UHFFFAOYSA-N 0 0 349.354 3.195 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCc2noc3ccc(F)cc32)cc1 ZINC001171914419 1384680653 /nfs/dbraw/zinc/68/06/53/1384680653.db2.gz ALMQYAMEKNHYIK-UHFFFAOYSA-N 0 0 341.302 3.059 10 10 EGCERN Cc1ccc(Br)nc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175039328 1385184980 /nfs/dbraw/zinc/18/49/80/1385184980.db2.gz XCVYFSKADNUWTH-UHFFFAOYSA-N 0 0 333.185 3.014 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCc3cc(F)c(F)cc3C2)cc1 ZINC001176045616 1385471534 /nfs/dbraw/zinc/47/15/34/1385471534.db2.gz KMCFLGZKJGNLTA-UHFFFAOYSA-N 0 0 344.321 3.326 10 10 EGCERN CN(C)c1ccc(CN(C)CN2CC[C@@H](c3ccccc3)C2=O)cc1 ZINC001320696199 1386694443 /nfs/dbraw/zinc/69/44/43/1386694443.db2.gz FXTFVMSVHIAKKK-FQEVSTJZSA-N 0 0 337.467 3.158 10 10 EGCERN COc1ccc2cc(C(=O)NCc3cccc(Cl)c3O)[nH]c2c1 ZINC001180410202 1386787874 /nfs/dbraw/zinc/78/78/74/1386787874.db2.gz LXHVOBWWIGQQNS-UHFFFAOYSA-N 0 0 330.771 3.466 10 10 EGCERN Cc1oc(C[N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001339118327 1389908923 /nfs/dbraw/zinc/90/89/23/1389908923.db2.gz PBMGJQPBGOOQSV-WAYWQWQTSA-N 0 0 328.412 3.497 10 10 EGCERN CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC001339241160 1389955291 /nfs/dbraw/zinc/95/52/91/1389955291.db2.gz OLVGPXLGIRVFAP-DHCBQETCSA-N 0 0 330.350 3.009 10 10 EGCERN CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC001334057777 1390469238 /nfs/dbraw/zinc/46/92/38/1390469238.db2.gz WNMDKFUALYMGJX-XGACYXMMSA-N 0 0 344.377 3.399 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)NCc1cc(C(F)F)on1 ZINC001347008348 1390992981 /nfs/dbraw/zinc/99/29/81/1390992981.db2.gz DFODRZCAEJXMSA-UHFFFAOYSA-N 0 0 339.342 3.440 10 10 EGCERN CC(C)(C)c1cc(C(=O)NCc2cccc(O)c2O)cc(Cl)n1 ZINC001347542359 1391090344 /nfs/dbraw/zinc/09/03/44/1391090344.db2.gz LLBNUDZARNNLMW-UHFFFAOYSA-N 0 0 334.803 3.374 10 10 EGCERN O=C(NCc1cccc(O)c1O)[C@H](OC1CCCC1)c1ccccc1 ZINC001348047205 1391165196 /nfs/dbraw/zinc/16/51/96/1391165196.db2.gz MTMHVDCYOLZLTF-LJQANCHMSA-N 0 0 341.407 3.415 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(C2CC2)o1 ZINC001351673125 1391668532 /nfs/dbraw/zinc/66/85/32/1391668532.db2.gz IKODPCBPICBYNV-UHFFFAOYSA-N 0 0 325.412 3.424 10 10 EGCERN CN(C)c1ccc(CNC(=O)C(F)(F)c2cc(F)cc(F)c2)cc1 ZINC001352214637 1391772991 /nfs/dbraw/zinc/77/29/91/1391772991.db2.gz CKZOUEWGRSNPJR-UHFFFAOYSA-N 0 0 340.320 3.439 10 10 EGCERN O=C(N[C@@H]1CCOCC12CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC001353379212 1391999052 /nfs/dbraw/zinc/99/90/52/1391999052.db2.gz AORKBHBDIJKTCX-MRXNPFEDSA-N 0 0 347.436 3.392 10 10 EGCERN Cc1cnc(F)c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001353920003 1392108290 /nfs/dbraw/zinc/10/82/90/1392108290.db2.gz KRULXKLVDQMJHU-UHFFFAOYSA-N 0 0 327.403 3.402 10 10 EGCERN Cc1cc[nH]c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354114099 1392121086 /nfs/dbraw/zinc/12/10/86/1392121086.db2.gz SFQWIKFCLUVSNY-UHFFFAOYSA-N 0 0 330.343 3.351 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC001479333810 1392217618 /nfs/dbraw/zinc/21/76/18/1392217618.db2.gz APEFQLVIGABKMR-BXWFABGCSA-N 0 0 345.487 3.209 10 10 EGCERN CC[C@H]1[C@@H](C)CCN1c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694803896 1406069447 /nfs/dbraw/zinc/06/94/47/1406069447.db2.gz WPGCLXFZUUIVAW-GUYCJALGSA-N 0 0 345.466 3.465 10 10 EGCERN C[C@@H]1C[C@@H]1n1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001726485923 1427063549 /nfs/dbraw/zinc/06/35/49/1427063549.db2.gz JEYZYVXMDVHAHA-CJNGLKHVSA-N 0 0 335.411 3.263 10 10 EGCERN CCCN(C)c1nnc(C2CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001745566308 1439792282 /nfs/dbraw/zinc/79/22/82/1439792282.db2.gz WJUCWNLHLMPAKP-UHFFFAOYSA-N 0 0 339.487 3.432 10 10 EGCERN C[C@H]1C[C@@H]1n1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC001762775856 1441378409 /nfs/dbraw/zinc/37/84/09/1441378409.db2.gz JAZWPVOTXJNUJD-DUVNUKRYSA-N 0 0 328.416 3.053 10 10 EGCERN Cc1nc(C(=O)NCCc2ccc(O)c(O)c2)c(-c2ccccc2)o1 ZINC000183973010 235275874 /nfs/dbraw/zinc/27/58/74/235275874.db2.gz WJRNIQNIXCKVLZ-UHFFFAOYSA-N 0 0 338.363 3.034 10 10 EGCERN CN(C)c1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(N)=S)cc1 ZINC000072413267 203219204 /nfs/dbraw/zinc/21/92/04/203219204.db2.gz KGSGJBBLHYDVQT-KRWDZBQOSA-N 0 0 342.443 3.286 10 10 EGCERN Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000101236046 204002549 /nfs/dbraw/zinc/00/25/49/204002549.db2.gz PEGWMPURIUOSMG-CYBMUJFWSA-N 0 0 325.412 3.088 10 10 EGCERN C[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1[O-])NC(=O)OC(C)(C)C ZINC000185979763 455667368 /nfs/dbraw/zinc/66/73/68/455667368.db2.gz GKEDMQDJWUCDHW-VXGBXAGGSA-N 0 0 326.412 3.485 10 10 EGCERN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OC)cc3)C(=N)N12 ZINC000003862535 452785760 /nfs/dbraw/zinc/78/57/60/452785760.db2.gz UEQUMVRZMQNFOI-KRLNTZMLSA-N 0 0 346.437 3.025 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000190767250 455380346 /nfs/dbraw/zinc/38/03/46/455380346.db2.gz HKNYGSMMKBWYCD-UHFFFAOYSA-N 0 0 335.810 3.338 10 10 EGCERN Cc1cc(C(=O)N[C@H]2COc3ccccc32)c(C)n1-c1ccccn1 ZINC000058967819 454247847 /nfs/dbraw/zinc/24/78/47/454247847.db2.gz BYQXUDKTDLKGHR-KRWDZBQOSA-N 0 0 333.391 3.353 10 10 EGCERN O=C(N[C@H]1CCCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000074131996 454534897 /nfs/dbraw/zinc/53/48/97/454534897.db2.gz DSSGWXFHLCENAR-INIZCTEOSA-N 0 0 332.444 3.416 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1[O-] ZINC000092810770 454638221 /nfs/dbraw/zinc/63/82/21/454638221.db2.gz JXAJWSNUTCOQTO-UHFFFAOYSA-N 0 0 336.779 3.057 10 10 EGCERN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000109622046 454832888 /nfs/dbraw/zinc/83/28/88/454832888.db2.gz ITMCQAWTNIFLOC-CHWSQXEVSA-N 0 0 333.334 3.099 10 10 EGCERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(N2CCCCC2)cc1 ZINC000164627811 454886703 /nfs/dbraw/zinc/88/67/03/454886703.db2.gz CWBZGWFQRQOEPS-QAPCUYQASA-N 0 0 325.460 3.454 10 10 EGCERN COc1cc(OC)cc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 ZINC000170620032 454943662 /nfs/dbraw/zinc/94/36/62/454943662.db2.gz XZCQXCXMYXCSPZ-GOSISDBHSA-N 0 0 340.379 3.107 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116117894 455043164 /nfs/dbraw/zinc/04/31/64/455043164.db2.gz LZMNDSBNWPZQEQ-SFHVURJKSA-N 0 0 348.450 3.457 10 10 EGCERN COc1ccc(O)c(CNC(=O)Nc2c[nH]nc2-c2ccccc2)c1 ZINC000179476681 455050078 /nfs/dbraw/zinc/05/00/78/455050078.db2.gz MCXXLYTZDMUYAV-UHFFFAOYSA-N 0 0 338.367 3.113 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179467344 455050433 /nfs/dbraw/zinc/05/04/33/455050433.db2.gz UJNYBLVAMXYOLM-GFCCVEGCSA-N 0 0 327.215 3.128 10 10 EGCERN C[C@H](C1CC1)n1nccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000156409173 455114962 /nfs/dbraw/zinc/11/49/62/455114962.db2.gz RBMQAVMCVNIGMG-GFCCVEGCSA-N 0 0 345.422 3.381 10 10 EGCERN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000180121293 455135538 /nfs/dbraw/zinc/13/55/38/455135538.db2.gz PMMLBVCEZJFNCL-CQSZACIVSA-N 0 0 334.851 3.166 10 10 EGCERN Cc1ccc(C)c([C@@H]2CN(C(=O)Cc3ccc(N)cc3)[C@H](C)CO2)c1 ZINC000237535198 455192759 /nfs/dbraw/zinc/19/27/59/455192759.db2.gz LSTNXZHWDFTGCL-UZLBHIALSA-N 0 0 338.451 3.417 10 10 EGCERN COCC(=O)N1CCc2c1cccc2NCc1cc(C)c(C)cc1O ZINC000184122297 455355281 /nfs/dbraw/zinc/35/52/81/455355281.db2.gz SFAHJORQZURTPC-UHFFFAOYSA-N 0 0 340.423 3.157 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1C[C@H]1C ZINC000266743644 455445995 /nfs/dbraw/zinc/44/59/95/455445995.db2.gz MWGONOZJUYVYGY-MNOVXSKESA-N 0 0 341.249 3.342 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1C[C@@H]1C ZINC000266743646 455446193 /nfs/dbraw/zinc/44/61/93/455446193.db2.gz MWGONOZJUYVYGY-WDEREUQCSA-N 0 0 341.249 3.342 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000175653469 455477791 /nfs/dbraw/zinc/47/77/91/455477791.db2.gz KISXCGQGHOEKFU-MRXNPFEDSA-N 0 0 331.391 3.076 10 10 EGCERN CCN(CC)c1ccc(CN2CCO[C@H](c3cnn(CC)c3)C2)cc1 ZINC000191717008 455512980 /nfs/dbraw/zinc/51/29/80/455512980.db2.gz JIZWGVNWLWMBSQ-FQEVSTJZSA-N 0 0 342.487 3.323 10 10 EGCERN COc1cc(Cl)cc(CNc2cccc3c2OCC[C@H]3O)c1O ZINC000185578454 455580226 /nfs/dbraw/zinc/58/02/26/455580226.db2.gz VCJPYGXQOPPIJM-CQSZACIVSA-N 0 0 335.787 3.482 10 10 EGCERN Oc1ccccc1CN(C[C@H]1CCCO1)c1ccnc(C2CC2)n1 ZINC000271409918 455626461 /nfs/dbraw/zinc/62/64/61/455626461.db2.gz KAWDLTRUQWKRLQ-MRXNPFEDSA-N 0 0 325.412 3.245 10 10 EGCERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000193080377 455741410 /nfs/dbraw/zinc/74/14/10/455741410.db2.gz FGOQMFWPHINJBU-TZMCWYRMSA-N 0 0 327.380 3.125 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@@H](C)c1ccc(F)cc1O ZINC000186589353 455799782 /nfs/dbraw/zinc/79/97/82/455799782.db2.gz ILNFLGBXJQUEMG-LBPRGKRZSA-N 0 0 344.386 3.240 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCOC[C@H]3C)ccc21 ZINC000278405167 455835306 /nfs/dbraw/zinc/83/53/06/455835306.db2.gz DXJCMGXKDZHAHY-FZKQIMNGSA-N 0 0 344.455 3.059 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCOC[C@@H]3C)ccc21 ZINC000278405171 455835500 /nfs/dbraw/zinc/83/55/00/455835500.db2.gz DXJCMGXKDZHAHY-UGSOOPFHSA-N 0 0 344.455 3.059 10 10 EGCERN COc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000272478479 455964780 /nfs/dbraw/zinc/96/47/80/455964780.db2.gz BOTASYZKGQDECC-UHFFFAOYSA-N 0 0 347.411 3.366 10 10 EGCERN CO[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000188080366 455993498 /nfs/dbraw/zinc/99/34/98/455993498.db2.gz IUPUEGWFXNMDCQ-JKSUJKDBSA-N 0 0 333.476 3.146 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000301286349 456082282 /nfs/dbraw/zinc/08/22/82/456082282.db2.gz MUBBCNREBYSEOO-ONYUAGEFSA-N 0 0 336.413 3.111 10 10 EGCERN COCc1cc(NCc2cc(OC)ccc2O)nc(C(C)(C)C)n1 ZINC000301811374 456220916 /nfs/dbraw/zinc/22/09/16/456220916.db2.gz XQGBUQUIIVFOSQ-UHFFFAOYSA-N 0 0 331.416 3.247 10 10 EGCERN CC(C)Oc1nccnc1NCc1ccc(N2CCSCC2)cc1 ZINC000302017240 456269528 /nfs/dbraw/zinc/26/95/28/456269528.db2.gz GBFVBYRDZOJIMQ-UHFFFAOYSA-N 0 0 344.484 3.429 10 10 EGCERN CC1(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1 ZINC000290551594 456362288 /nfs/dbraw/zinc/36/22/88/456362288.db2.gz ZBVZPHIKBJCERX-UHFFFAOYSA-N 0 0 348.462 3.373 10 10 EGCERN COc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)ccc1F ZINC000276171444 456405547 /nfs/dbraw/zinc/40/55/47/456405547.db2.gz CQISMCBFDUFUOX-UHFFFAOYSA-N 0 0 339.388 3.266 10 10 EGCERN O=C(c1cccc(O)c1O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000290691215 456406515 /nfs/dbraw/zinc/40/65/15/456406515.db2.gz PVCJHLKZFWNQAB-ZDUSSCGKSA-N 0 0 343.383 3.116 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCCCc2nccs2)cc1 ZINC000290803523 456432817 /nfs/dbraw/zinc/43/28/17/456432817.db2.gz YXAMTQAQABGRSA-UHFFFAOYSA-N 0 0 346.500 3.421 10 10 EGCERN Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377671226 458508544 /nfs/dbraw/zinc/50/85/44/458508544.db2.gz GIUHCPUWWJFVNO-CQSZACIVSA-N 0 0 336.819 3.442 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000527803228 459741273 /nfs/dbraw/zinc/74/12/73/459741273.db2.gz DLQYLIZVKCDSLK-PUHVVEEASA-N 0 0 328.250 3.365 10 10 EGCERN Cn1ccc2c1cccc2C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000726935962 574611943 /nfs/dbraw/zinc/61/19/43/574611943.db2.gz CVNKOXBQJHLJIP-UHFFFAOYSA-N 0 0 335.407 3.267 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000728979260 574790706 /nfs/dbraw/zinc/79/07/06/574790706.db2.gz DIKNBCXVWGDCPX-QGHHPUGFSA-N 0 0 347.798 3.235 10 10 EGCERN COC(=O)Nc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000728977845 574790862 /nfs/dbraw/zinc/79/08/62/574790862.db2.gz FKJYCXFVEFMOCD-LLVKDONJSA-N 0 0 344.367 3.070 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000732301274 575254018 /nfs/dbraw/zinc/25/40/18/575254018.db2.gz UHWDNXQNOCIPJR-UHFFFAOYSA-N 0 0 342.464 3.369 10 10 EGCERN C[C@@H](NC(=O)N[C@H](C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000733801157 575397946 /nfs/dbraw/zinc/39/79/46/575397946.db2.gz FICUCOMOXICHBP-HZPDHXFCSA-N 0 0 345.487 3.462 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@](C)(O)CCC(C)C ZINC000741090177 576654552 /nfs/dbraw/zinc/65/45/52/576654552.db2.gz XSYIPTAPAIRKLX-IBGZPJMESA-N 0 0 335.492 3.047 10 10 EGCERN CO[C@H](C)CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C ZINC000741092117 576654883 /nfs/dbraw/zinc/65/48/83/576654883.db2.gz VTRDLEGCVVNONX-MRXNPFEDSA-N 0 0 331.460 3.018 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2nc(C)cs2)c1 ZINC000103516453 1293008716 /nfs/dbraw/zinc/00/87/16/1293008716.db2.gz BHXSMDKWZGOSTO-WDEREUQCSA-N 0 0 335.429 3.287 10 10 EGCERN CCCCCCOCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000107463613 1293067070 /nfs/dbraw/zinc/06/70/70/1293067070.db2.gz QQLYTDXZWJFHSW-QGZVFWFLSA-N 0 0 348.487 3.297 10 10 EGCERN CCCCCCOCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000107463611 1293067164 /nfs/dbraw/zinc/06/71/64/1293067164.db2.gz QQLYTDXZWJFHSW-KRWDZBQOSA-N 0 0 348.487 3.297 10 10 EGCERN COc1cc(N(C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000125769254 1293516241 /nfs/dbraw/zinc/51/62/41/1293516241.db2.gz BLAHDWCZCUFJTJ-UHFFFAOYSA-N 0 0 332.356 3.257 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3cc(C)cc(C)n3)CC2)cc1 ZINC000126148093 1293526590 /nfs/dbraw/zinc/52/65/90/1293526590.db2.gz DPMYJRMONWSWRS-UHFFFAOYSA-N 0 0 340.427 3.061 10 10 EGCERN CCCCc1noc([C@@H](C)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000130457714 1293657134 /nfs/dbraw/zinc/65/71/34/1293657134.db2.gz JDNQNMPHFANILQ-CYBMUJFWSA-N 0 0 330.432 3.438 10 10 EGCERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000151389214 1293921620 /nfs/dbraw/zinc/92/16/20/1293921620.db2.gz IODSJJXEPVEPTE-OAHLLOKOSA-N 0 0 341.455 3.231 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cc(F)c(C)cc3F)CC2)cc1 ZINC000159055906 1294224197 /nfs/dbraw/zinc/22/41/97/1294224197.db2.gz GIWHMAQLECFCNG-UHFFFAOYSA-N 0 0 346.377 3.244 10 10 EGCERN COc1cccc(/C(C)=C/C(=O)NCc2cccc(OC)c2O)c1 ZINC000176130988 1294592388 /nfs/dbraw/zinc/59/23/88/1294592388.db2.gz ZWEMZMQYHFLXAR-JLHYYAGUSA-N 0 0 327.380 3.129 10 10 EGCERN COc1ccc(O)c([C@H](C)NCc2noc(-c3ccccc3)n2)c1 ZINC000182445670 1295047133 /nfs/dbraw/zinc/04/71/33/1295047133.db2.gz ZEUHJGDEPSRMGP-LBPRGKRZSA-N 0 0 325.368 3.302 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](OC)C2)cc1F ZINC000191380312 1295675540 /nfs/dbraw/zinc/67/55/40/1295675540.db2.gz XQWWLUWOPVRBTC-HUUCEWRRSA-N 0 0 337.439 3.039 10 10 EGCERN Cc1c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cccc1N(C)C ZINC000194002211 1295932435 /nfs/dbraw/zinc/93/24/35/1295932435.db2.gz ZRWCMUMLHWXWEC-GFCCVEGCSA-N 0 0 343.427 3.225 10 10 EGCERN O=C([C@@H]1CCN(c2ccccc2Cl)C1)N1Cc2cccc(O)c2C1 ZINC000871204359 1296270817 /nfs/dbraw/zinc/27/08/17/1296270817.db2.gz DBYLBAKEKHVZKK-CQSZACIVSA-N 0 0 342.826 3.414 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C(F)F)CC2)c1O ZINC000872269954 1296871889 /nfs/dbraw/zinc/87/18/89/1296871889.db2.gz UVQRGUKZEBTAJR-CYBMUJFWSA-N 0 0 333.762 3.104 10 10 EGCERN O=C(c1cccs1)N1CCOc2ccc(N3CCCC3)cc2C1 ZINC000581789048 1298008964 /nfs/dbraw/zinc/00/89/64/1298008964.db2.gz IFMMXKJICBTJDE-UHFFFAOYSA-N 0 0 328.437 3.383 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([C@@H]2CCOC2)CC1 ZINC000585121869 1298032091 /nfs/dbraw/zinc/03/20/91/1298032091.db2.gz DGRINTUHFWHUFE-GFCCVEGCSA-N 0 0 347.436 3.201 10 10 EGCERN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000724842000 1298350329 /nfs/dbraw/zinc/35/03/29/1298350329.db2.gz JLGGGHNAZUWRJQ-TVQRCGJNSA-N 0 0 346.652 3.419 10 10 EGCERN c1c(CNCc2ccc(N3CCSCC3)cc2)onc1C1CC1 ZINC000876943528 1299079534 /nfs/dbraw/zinc/07/95/34/1299079534.db2.gz QVOPWBGBYBWVQI-UHFFFAOYSA-N 0 0 329.469 3.395 10 10 EGCERN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c1O ZINC000878942157 1300276773 /nfs/dbraw/zinc/27/67/73/1300276773.db2.gz YJMWHTZMDDKRLO-OAHLLOKOSA-N 0 0 348.834 3.067 10 10 EGCERN COC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000886360243 1303447200 /nfs/dbraw/zinc/44/72/00/1303447200.db2.gz SFBDCZTZLNDVRZ-QMTHXVAHSA-N 0 0 334.243 3.230 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888826397 1304291652 /nfs/dbraw/zinc/29/16/52/1304291652.db2.gz IUDLDPMABIJISX-RUIRUUOHSA-N 0 0 336.391 3.044 10 10 EGCERN COC(=O)c1c(CN(C)Cc2ccccn2)c2cc(F)ccc2n1C ZINC000894450570 1308898061 /nfs/dbraw/zinc/89/80/61/1308898061.db2.gz LDBDSESIGMHGGB-UHFFFAOYSA-N 0 0 341.386 3.131 10 10 EGCERN COC(=O)c1c(CN2CCC(F)(F)CC2)c2cc(F)ccc2n1C ZINC000894631224 1308990310 /nfs/dbraw/zinc/99/03/10/1308990310.db2.gz UNNBAGXEZJCRJN-UHFFFAOYSA-N 0 0 340.345 3.335 10 10 EGCERN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000895538155 1309390003 /nfs/dbraw/zinc/39/00/03/1309390003.db2.gz YFRKBJGKZPPPHD-AWEZNQCLSA-N 0 0 325.836 3.111 10 10 EGCERN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000895538156 1309390341 /nfs/dbraw/zinc/39/03/41/1309390341.db2.gz YFRKBJGKZPPPHD-CQSZACIVSA-N 0 0 325.836 3.111 10 10 EGCERN Cc1cnc(F)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000896268899 1309777811 /nfs/dbraw/zinc/77/78/11/1309777811.db2.gz BVJISMFLZYOZEM-OAHLLOKOSA-N 0 0 344.386 3.056 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1c1ncc[nH]1 ZINC000897295580 1310275636 /nfs/dbraw/zinc/27/56/36/1310275636.db2.gz ZTVICTFEADUWTM-JTQLQIEISA-N 0 0 329.381 3.013 10 10 EGCERN CC(C)(C)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1O ZINC000897316019 1310286440 /nfs/dbraw/zinc/28/64/40/1310286440.db2.gz QDWXEMSYGMCLKK-BXUZGUMPSA-N 0 0 349.452 3.182 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([C@@H]2CCCO2)CC1 ZINC000897504551 1310353291 /nfs/dbraw/zinc/35/32/91/1310353291.db2.gz JJISVCWMDJRKFO-HNNXBMFYSA-N 0 0 347.436 3.344 10 10 EGCERN Cn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)c(C2CC2)n1 ZINC000897809010 1310475175 /nfs/dbraw/zinc/47/51/75/1310475175.db2.gz PVSDTLYXISUIQC-UHFFFAOYSA-N 0 0 329.381 3.176 10 10 EGCERN CC(C)O[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898269297 1310654227 /nfs/dbraw/zinc/65/42/27/1310654227.db2.gz GHWLWYGRKRBLLG-GFCCVEGCSA-N 0 0 335.425 3.342 10 10 EGCERN Cc1cc(CC(=O)N2CCC[C@H]2c2nc[nH]n2)c(C)n1-c1ccccc1 ZINC000899108824 1310937678 /nfs/dbraw/zinc/93/76/78/1310937678.db2.gz PDVXHOKXIKODHP-SFHVURJKSA-N 0 0 349.438 3.118 10 10 EGCERN CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCCO1 ZINC000899172488 1310965928 /nfs/dbraw/zinc/96/59/28/1310965928.db2.gz WLMHFPNUCUNSNH-OAHLLOKOSA-N 0 0 335.425 3.390 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000929406667 1328590258 /nfs/dbraw/zinc/59/02/58/1328590258.db2.gz WYWNWLKVLMNZDW-CABCVRRESA-N 0 0 344.377 3.259 10 10 EGCERN COc1cc(N(C)Cc2nc(C(C)C)ns2)cc(OC)c1OC ZINC000929708362 1328674789 /nfs/dbraw/zinc/67/47/89/1328674789.db2.gz UPUFBOCSDXFPEP-UHFFFAOYSA-N 0 0 337.445 3.324 10 10 EGCERN COCCCOc1ccccc1NC(=O)NCc1c(O)cccc1F ZINC000929909519 1328737220 /nfs/dbraw/zinc/73/72/20/1328737220.db2.gz YKRHHQBDCMTXRG-UHFFFAOYSA-N 0 0 348.374 3.268 10 10 EGCERN CN(C)c1ccc(CN(C(=O)Cn2ccc(C(F)F)n2)C2CC2)cc1 ZINC000858342767 1328741439 /nfs/dbraw/zinc/74/14/39/1328741439.db2.gz YQNRENOCVXRSAD-UHFFFAOYSA-N 0 0 348.397 3.078 10 10 EGCERN Cc1cc(CNC(=O)N[C@@H]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000858398312 1328752596 /nfs/dbraw/zinc/75/25/96/1328752596.db2.gz UGBQTYBPINGXGD-IFXJQAMLSA-N 0 0 341.455 3.318 10 10 EGCERN CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc(Cl)c1[O-] ZINC000858590403 1328803088 /nfs/dbraw/zinc/80/30/88/1328803088.db2.gz WFQPKWLRYGTBQV-NFAWXSAZSA-N 0 0 337.807 3.308 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@H](c3cc(C)ccn3)C2)cc1OC ZINC000858615317 1328810905 /nfs/dbraw/zinc/81/09/05/1328810905.db2.gz RZPMZSCGDZMXCO-ZDUSSCGKSA-N 0 0 343.383 3.309 10 10 EGCERN CC[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1OC ZINC000914095116 1319233839 /nfs/dbraw/zinc/23/38/39/1319233839.db2.gz PVHUMZVIRHMVOD-OAHLLOKOSA-N 0 0 332.375 3.490 10 10 EGCERN C/C=C/C[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000858864415 1328879681 /nfs/dbraw/zinc/87/96/81/1328879681.db2.gz YPFHRFCQWFSWIK-JDGPPOGSSA-N 0 0 331.372 3.108 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)[C@@H]2CCOC2)ccc1C ZINC000859264101 1328957312 /nfs/dbraw/zinc/95/73/12/1328957312.db2.gz SZHXUAWUQIKHJL-GOSISDBHSA-N 0 0 340.423 3.076 10 10 EGCERN CC(C)O[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000922611284 1322570315 /nfs/dbraw/zinc/57/03/15/1322570315.db2.gz JZFAMHXLFZKWNX-OAHLLOKOSA-N 0 0 334.243 3.373 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1c2ccccc2CC[C@H]1F ZINC000924028692 1322878033 /nfs/dbraw/zinc/87/80/33/1322878033.db2.gz BUMWFJWVAMXFPZ-NVXWUHKLSA-N 0 0 332.350 3.356 10 10 EGCERN CCN(CC)c1ccc(CN[C@H](C)c2nn(CC)nc2C)cc1F ZINC000925013716 1323245065 /nfs/dbraw/zinc/24/50/65/1323245065.db2.gz MMHCYKHAMOCAPN-CYBMUJFWSA-N 0 0 333.455 3.443 10 10 EGCERN O=C(N[C@@H](c1nccs1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000931557806 1329143510 /nfs/dbraw/zinc/14/35/10/1329143510.db2.gz JBCIGIBJKGMLSX-NSHDSACASA-N 0 0 343.330 3.178 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000927127753 1327880623 /nfs/dbraw/zinc/88/06/23/1327880623.db2.gz JTHFFZYXSMIWDI-HIFRSBDPSA-N 0 0 333.428 3.321 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CCC3(CCC3)O2)c1 ZINC000927730718 1328122918 /nfs/dbraw/zinc/12/29/18/1328122918.db2.gz RWIFVNMFYJZAOQ-KBPBESRZSA-N 0 0 348.443 3.253 10 10 EGCERN CC[C@@H](C)c1nc(C)c(CC(=O)NCc2c(O)cccc2F)c(C)n1 ZINC000928706842 1328403377 /nfs/dbraw/zinc/40/33/77/1328403377.db2.gz WNVIAMBGSLKZEZ-LLVKDONJSA-N 0 0 345.418 3.311 10 10 EGCERN CC(C)Cn1ncc(C(=O)NCc2c(O)cccc2F)c1C1CC1 ZINC000928706156 1328403776 /nfs/dbraw/zinc/40/37/76/1328403776.db2.gz SFZFVUUOPPQDEQ-UHFFFAOYSA-N 0 0 331.391 3.191 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc(C2CCOCC2)cc1 ZINC000928709536 1328406356 /nfs/dbraw/zinc/40/63/56/1328406356.db2.gz JKECFJMDLWPPQS-UHFFFAOYSA-N 0 0 329.371 3.355 10 10 EGCERN O=C(NCc1c(O)cccc1F)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000928712967 1328406928 /nfs/dbraw/zinc/40/69/28/1328406928.db2.gz YVSJYFOMWSBIBF-ZTFRIQLXSA-N 0 0 331.774 3.387 10 10 EGCERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCc3cc(F)ccc32)C1 ZINC000861561544 1329426721 /nfs/dbraw/zinc/42/67/21/1329426721.db2.gz IZPZPAPJZNUERW-OAHLLOKOSA-N 0 0 346.402 3.328 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCCCC(=O)C1 ZINC000862026395 1329455886 /nfs/dbraw/zinc/45/58/86/1329455886.db2.gz MYYIRHNJHMSKAC-AWEZNQCLSA-N 0 0 326.396 3.096 10 10 EGCERN Cc1noc(C(C)C)c1C(=O)NCc1ccc2cccnc2c1O ZINC000862028815 1329456002 /nfs/dbraw/zinc/45/60/02/1329456002.db2.gz LEHPACKMFBCJML-UHFFFAOYSA-N 0 0 325.368 3.290 10 10 EGCERN Cc1cc(CN2C(=O)N[C@@](C)(CCF)C2=O)c(C)n1-c1ccccc1 ZINC000863532305 1329560842 /nfs/dbraw/zinc/56/08/42/1329560842.db2.gz LYLGLWGDLYSQTN-IBGZPJMESA-N 0 0 343.402 3.264 10 10 EGCERN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000864573046 1329627235 /nfs/dbraw/zinc/62/72/35/1329627235.db2.gz DGZOTFRBGOCZHN-CQSZACIVSA-N 0 0 342.414 3.417 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2scnc2C(F)F)cc1 ZINC000864635350 1329632832 /nfs/dbraw/zinc/63/28/32/1329632832.db2.gz XXMNYWGZNPTVNL-UHFFFAOYSA-N 0 0 325.384 3.419 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN[C@@H](c2ncccn2)C2CC2)c1O ZINC000932356891 1329807753 /nfs/dbraw/zinc/80/77/53/1329807753.db2.gz BCPNNDRAKNHJGA-OAHLLOKOSA-N 0 0 331.803 3.279 10 10 EGCERN C[C@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)c1ccccc1O ZINC000866237005 1330083072 /nfs/dbraw/zinc/08/30/72/1330083072.db2.gz GRSGVECVOPMWAL-VIFPVBQESA-N 0 0 326.322 3.440 10 10 EGCERN C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000866413470 1330108744 /nfs/dbraw/zinc/10/87/44/1330108744.db2.gz RVHIANYCJGVYKO-MNOVXSKESA-N 0 0 347.286 3.195 10 10 EGCERN CCN(C)c1ccc([C@@H](C)NCc2nnc(C3CCOCC3)[nH]2)cc1 ZINC000866440722 1330113056 /nfs/dbraw/zinc/11/30/56/1330113056.db2.gz HGPOSPWQPFCVNU-CQSZACIVSA-N 0 0 343.475 3.006 10 10 EGCERN C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000866495769 1330118707 /nfs/dbraw/zinc/11/87/07/1330118707.db2.gz HUPIBJLDZRRTFP-VIFPVBQESA-N 0 0 339.226 3.028 10 10 EGCERN CN(Cc1ccccc1O)C(=O)[C@H]1c2ccccc2C(=O)OC1(C)C ZINC000866596589 1330131328 /nfs/dbraw/zinc/13/13/28/1330131328.db2.gz HRDGUFMGFXFDGN-QGZVFWFLSA-N 0 0 339.391 3.083 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000866622956 1330134177 /nfs/dbraw/zinc/13/41/77/1330134177.db2.gz KNKLVPDHMMPABA-DYVFJYSZSA-N 0 0 333.428 3.321 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000866622957 1330134300 /nfs/dbraw/zinc/13/43/00/1330134300.db2.gz KNKLVPDHMMPABA-GUYCJALGSA-N 0 0 333.428 3.321 10 10 EGCERN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CCO)C2CCCC2)c1[O-] ZINC001198148449 1368968244 /nfs/dbraw/zinc/96/82/44/1368968244.db2.gz ZALHHPDLVIQPRY-MRXNPFEDSA-N 0 0 325.836 3.279 10 10 EGCERN Cc1cc(C(=O)CN2CC[C@]23CCOC3)c(C)n1-c1cccc(F)c1 ZINC001325459431 1387981095 /nfs/dbraw/zinc/98/10/95/1387981095.db2.gz NRFZQRAOHMTGSX-HXUWFJFHSA-N 0 0 342.414 3.281 10 10 EGCERN Cc1cc(C(=O)N(C)S(C)(=O)=O)c(C)n1-c1cccc(C(C)C)c1 ZINC001116222014 1370863416 /nfs/dbraw/zinc/86/34/16/1370863416.db2.gz RGMHAMVOJYPHEV-UHFFFAOYSA-N 0 0 348.468 3.249 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2C[C@@](C)(O)C2)c1 ZINC001118034023 1371124324 /nfs/dbraw/zinc/12/43/24/1371124324.db2.gz URFKUQCEOXUZMT-QGGXVJLZSA-N 0 0 332.831 3.391 10 10 EGCERN CCOc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001124550005 1372711639 /nfs/dbraw/zinc/71/16/39/1372711639.db2.gz VAWJWMWVKPBIBF-UHFFFAOYSA-N 0 0 339.439 3.353 10 10 EGCERN CCCCCCO[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001127188792 1373101113 /nfs/dbraw/zinc/10/11/13/1373101113.db2.gz CIHLPHNAJDWBET-QGZVFWFLSA-N 0 0 348.487 3.329 10 10 EGCERN CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)/C=C\c2cn(C)cn2)cc1 ZINC001127276278 1373111142 /nfs/dbraw/zinc/11/11/42/1373111142.db2.gz RFLNTCCJAAJOBM-WDZFZDKYSA-N 0 0 349.438 3.061 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn2c1CCCC2 ZINC001136025402 1377303304 /nfs/dbraw/zinc/30/33/04/1377303304.db2.gz IVLUEELIFJXFPJ-UHFFFAOYSA-N 0 0 338.455 3.092 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC12CCOCC2 ZINC001136025675 1377303346 /nfs/dbraw/zinc/30/33/46/1377303346.db2.gz UNXMJBRBKNXYKL-GOSISDBHSA-N 0 0 328.456 3.062 10 10 EGCERN C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136366917 1377383856 /nfs/dbraw/zinc/38/38/56/1377383856.db2.gz CDGGUKWWRSIVPN-NSHDSACASA-N 0 0 344.346 3.185 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCCOC2CCCCCC2)cc1 ZINC001136805765 1377425079 /nfs/dbraw/zinc/42/50/79/1377425079.db2.gz RXDLLGKNCNCSGL-UHFFFAOYSA-N 0 0 332.404 3.318 10 10 EGCERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nc(C(C)(C)C)no1 ZINC001137113802 1377481062 /nfs/dbraw/zinc/48/10/62/1377481062.db2.gz XJGYBBYMHCLJFK-VIFPVBQESA-N 0 0 344.375 3.021 10 10 EGCERN CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C(=O)OC ZINC001137170488 1377490322 /nfs/dbraw/zinc/49/03/22/1377490322.db2.gz SHOLVUYFQFUMFQ-MRXNPFEDSA-N 0 0 348.830 3.429 10 10 EGCERN CCc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)no1 ZINC001137343145 1377525708 /nfs/dbraw/zinc/52/57/08/1377525708.db2.gz BTLPTIOAQLFRKT-UHFFFAOYSA-N 0 0 326.352 3.378 10 10 EGCERN O=C(NCc1ccccc1O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001137471290 1377553941 /nfs/dbraw/zinc/55/39/41/1377553941.db2.gz FKVBJEVIYCOZRH-UHFFFAOYSA-N 0 0 340.257 3.249 10 10 EGCERN Cc1cccc([C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccn2)c1 ZINC001138009269 1377664007 /nfs/dbraw/zinc/66/40/07/1377664007.db2.gz RXNWDUAVBKYPBN-NRFANRHFSA-N 0 0 348.402 3.250 10 10 EGCERN O=C(C1=CC(=O)CS1)N(CCc1ccccn1)Cc1cccnc1 ZINC001139627770 1377922202 /nfs/dbraw/zinc/92/22/02/1377922202.db2.gz AYXJADOPCHDWGE-UHFFFAOYSA-N 0 0 339.420 3.129 10 10 EGCERN O=C(Cc1nc(C2CC2)cs1)NCCCSc1nccs1 ZINC001144321867 1378716757 /nfs/dbraw/zinc/71/67/57/1378716757.db2.gz BNGURHUQEOTVGF-UHFFFAOYSA-N 0 0 339.511 3.318 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(C2OCCO2)cc1 ZINC001146231287 1378799677 /nfs/dbraw/zinc/79/96/77/1378799677.db2.gz FAGZYTHICRIWSI-UHFFFAOYSA-N 0 0 333.771 3.021 10 10 EGCERN Cc1nn(C)c2sc(C(=O)NCc3cc(Cl)ccc3O)cc12 ZINC001146231267 1378800034 /nfs/dbraw/zinc/80/00/34/1378800034.db2.gz DSRSREXGRNNUGS-UHFFFAOYSA-N 0 0 335.816 3.232 10 10 EGCERN Cc1nc(C)c(CNC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001148205078 1379133406 /nfs/dbraw/zinc/13/34/06/1379133406.db2.gz FGBKPRWVDGOMDZ-UHFFFAOYSA-N 0 0 334.422 3.316 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2ncc3ccccc3c2O)c1 ZINC001150542856 1379565159 /nfs/dbraw/zinc/56/51/59/1379565159.db2.gz FTWDXRCMFXTRKO-NSHDSACASA-N 0 0 338.363 3.146 10 10 EGCERN Cc1cc(CNC(=O)c2cccc(O)c2O)c(C)n1-c1ccccc1 ZINC001151152573 1379668444 /nfs/dbraw/zinc/66/84/44/1379668444.db2.gz CTVDEAMDASGATQ-UHFFFAOYSA-N 0 0 336.391 3.435 10 10 EGCERN CC[C@@H](C)c1ccccc1OCC(=O)NCc1cc(O)ccc1O ZINC001153879323 1380148335 /nfs/dbraw/zinc/14/83/35/1380148335.db2.gz KCRXFHOKWYQILR-CYBMUJFWSA-N 0 0 329.396 3.307 10 10 EGCERN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cc(O)ccc1O ZINC001153879478 1380148436 /nfs/dbraw/zinc/14/84/36/1380148436.db2.gz POKNCXHPIZIUSP-UHFFFAOYSA-N 0 0 335.787 3.225 10 10 EGCERN Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2cc(O)ccc2O)c1 ZINC001153879680 1380148437 /nfs/dbraw/zinc/14/84/37/1380148437.db2.gz UPIJWCQHTWRKOI-NSHDSACASA-N 0 0 335.787 3.143 10 10 EGCERN CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001156906472 1380722963 /nfs/dbraw/zinc/72/29/63/1380722963.db2.gz JRWCKKXKLFOAHY-UHFFFAOYSA-N 0 0 332.310 3.399 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001328185263 1388686326 /nfs/dbraw/zinc/68/63/26/1388686326.db2.gz OLBFBYFCGMYJDN-UPJWGTAASA-N 0 0 326.362 3.189 10 10 EGCERN Nc1c(F)cc(Cl)cc1C(=O)NCc1cccc(Cl)c1O ZINC001159041511 1381536823 /nfs/dbraw/zinc/53/68/23/1381536823.db2.gz PZVFFRXYKBFLAU-UHFFFAOYSA-N 0 0 329.158 3.350 10 10 EGCERN CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC001159041558 1381537755 /nfs/dbraw/zinc/53/77/55/1381537755.db2.gz RXGMMDQTJYRFRA-ZDUSSCGKSA-N 0 0 341.835 3.276 10 10 EGCERN Cc1ccc2[nH]cc(CCNC(=O)/C=C\c3ccc(O)c(O)c3)c2c1 ZINC001159213906 1381732270 /nfs/dbraw/zinc/73/22/70/1381732270.db2.gz DFYVBHLNWJJYIZ-DAXSKMNVSA-N 0 0 336.391 3.260 10 10 EGCERN O=C(c1cccc(O)c1O)N(Cc1cccs1)Cc1ccncc1 ZINC001159251246 1381743162 /nfs/dbraw/zinc/74/31/62/1381743162.db2.gz MBDUAONOOYXLEJ-UHFFFAOYSA-N 0 0 340.404 3.397 10 10 EGCERN COC(=O)c1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)CCC2 ZINC001289078576 1381975789 /nfs/dbraw/zinc/97/57/89/1381975789.db2.gz XBJWAZPYLGVADM-YFHOEESVSA-N 0 0 336.391 3.169 10 10 EGCERN O=C(c1cnn(C(F)F)c1)N(Cc1ccco1)Cc1ccccc1O ZINC001294670826 1382483227 /nfs/dbraw/zinc/48/32/27/1382483227.db2.gz CHSFUUUAJHLFSO-UHFFFAOYSA-N 0 0 347.321 3.419 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cnc(-c2ccccn2)nc1 ZINC001294681406 1382483556 /nfs/dbraw/zinc/48/35/56/1382483556.db2.gz IGGLFXHOMKQWGW-UHFFFAOYSA-N 0 0 348.406 3.297 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cc4c(C)cccn4c3)CC2)cc1 ZINC001294755932 1382492734 /nfs/dbraw/zinc/49/27/34/1382492734.db2.gz PGTYALHBPOXFQX-UHFFFAOYSA-N 0 0 349.434 3.219 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C1(c2ccccc2F)CC1 ZINC001162607095 1382806455 /nfs/dbraw/zinc/80/64/55/1382806455.db2.gz HVHXVMLVCZPRBW-UHFFFAOYSA-N 0 0 336.366 3.428 10 10 EGCERN C[C@H](Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1nc[nH]n1 ZINC001162967776 1382930672 /nfs/dbraw/zinc/93/06/72/1382930672.db2.gz OXOZDODTFDUEJU-NSHDSACASA-N 0 0 337.339 3.117 10 10 EGCERN Cc1cc(C(=O)NC2CN(C(C)C)C2)c(C)n1-c1ccccc1C ZINC001296602268 1383037030 /nfs/dbraw/zinc/03/70/30/1383037030.db2.gz YXUBSGMAZXSWIB-UHFFFAOYSA-N 0 0 325.456 3.225 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cn(C)nc2C)c1 ZINC001166048723 1383381643 /nfs/dbraw/zinc/38/16/43/1383381643.db2.gz VRLFFZMZEVTEAO-UHFFFAOYSA-N 0 0 336.395 3.201 10 10 EGCERN Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)c(O)c1O ZINC001299834461 1383631505 /nfs/dbraw/zinc/63/15/05/1383631505.db2.gz QUCKVPRGDYECHT-KPZWWZAWSA-N 0 0 345.370 3.148 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)C(=O)c1ccc2c(c1)CCC2 ZINC001300402018 1383663149 /nfs/dbraw/zinc/66/31/49/1383663149.db2.gz WGXBRZUYFOUMLF-UHFFFAOYSA-N 0 0 329.783 3.033 10 10 EGCERN CC(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001306980680 1383929372 /nfs/dbraw/zinc/92/93/72/1383929372.db2.gz ZFKKPDVCJXBDNP-KRWDZBQOSA-N 0 0 328.368 3.255 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1cc(=O)cc[nH]1 ZINC001307138224 1383944328 /nfs/dbraw/zinc/94/43/28/1383944328.db2.gz XNEYIPFPDPBMHO-UHFFFAOYSA-N 0 0 349.346 3.126 10 10 EGCERN C[C@@H]1C[C@@H]1N(CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC001307838300 1384039955 /nfs/dbraw/zinc/03/99/55/1384039955.db2.gz TUABEGSCRXXHBZ-UZLBHIALSA-N 0 0 337.467 3.284 10 10 EGCERN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCN1CCOC[C@@H]1C ZINC001307864040 1384044851 /nfs/dbraw/zinc/04/48/51/1384044851.db2.gz LXELLYYCSNWMPU-WMZOPIPTSA-N 0 0 332.488 3.051 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(C)[C@@H]3C(C)C)C2)cc1 ZINC001312995537 1384385068 /nfs/dbraw/zinc/38/50/68/1384385068.db2.gz WOUOMFJQTQXEPX-YJBOKZPZSA-N 0 0 345.487 3.350 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCCc2cnc3ccccc3c2)c1 ZINC001313259433 1384405544 /nfs/dbraw/zinc/40/55/44/1384405544.db2.gz FYQKTBWYRGVACC-UHFFFAOYSA-N 0 0 335.407 3.291 10 10 EGCERN C[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1[N+](=O)[O-] ZINC001313350271 1384412447 /nfs/dbraw/zinc/41/24/47/1384412447.db2.gz CWJFZOJDAMPMOO-NSHDSACASA-N 0 0 347.346 3.042 10 10 EGCERN C[C@H](NC(=O)c1cccc(Nc2cnccn2)c1)c1ccccc1O ZINC001171730979 1384617515 /nfs/dbraw/zinc/61/75/15/1384617515.db2.gz VHENZXNISGZYCA-ZDUSSCGKSA-N 0 0 334.379 3.417 10 10 EGCERN COc1ncc(C(=O)NCc2cccc(Cl)c2O)cc1Cl ZINC001180410913 1386788538 /nfs/dbraw/zinc/78/85/38/1386788538.db2.gz VJDYMQXWSLHSCB-UHFFFAOYSA-N 0 0 327.167 3.033 10 10 EGCERN C[C@@H](NC(=O)N(C)C[C@]12CCC[C@H]1OCC2)c1ccc(N(C)C)cc1 ZINC001340206520 1390249657 /nfs/dbraw/zinc/24/96/57/1390249657.db2.gz UIEXLTVBWPWCEQ-XFQXTVEOSA-N 0 0 345.487 3.414 10 10 EGCERN CN(C)c1ccc(/C=C/CN[C@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC001334910007 1390618732 /nfs/dbraw/zinc/61/87/32/1390618732.db2.gz WUPJQPHXBSLESS-DWTRPJMMSA-N 0 0 338.377 3.393 10 10 EGCERN CC/C=C\[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC001345070981 1390835113 /nfs/dbraw/zinc/83/51/13/1390835113.db2.gz CNUZZLWWRMHRGS-RLXIPRIJSA-N 0 0 342.443 3.030 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Cc1cccc2nsnc21 ZINC001346682127 1390969316 /nfs/dbraw/zinc/96/93/16/1390969316.db2.gz YDPJHDJRNZOYNW-UHFFFAOYSA-N 0 0 341.436 3.378 10 10 EGCERN CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC001348173892 1391182342 /nfs/dbraw/zinc/18/23/42/1391182342.db2.gz YSXCYDGAYRTELZ-LBPRGKRZSA-N 0 0 333.457 3.425 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001350491119 1391470664 /nfs/dbraw/zinc/47/06/64/1391470664.db2.gz XXJJPJAIOSTQHO-VNQPRFMTSA-N 0 0 337.414 3.294 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C\c1cncc(F)c1 ZINC001351671909 1391667750 /nfs/dbraw/zinc/66/77/50/1391667750.db2.gz BHDXGBBVZBWLCA-TWGQIWQCSA-N 0 0 339.414 3.493 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cnn(CC3CC3)c2)cc1 ZINC001355016851 1392185959 /nfs/dbraw/zinc/18/59/59/1392185959.db2.gz ZXAUGWSAHWHHKE-UHFFFAOYSA-N 0 0 326.444 3.069 10 10 EGCERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001479212208 1392198302 /nfs/dbraw/zinc/19/83/02/1392198302.db2.gz DEFVQBWEKVTUBB-NWDGAFQWSA-N 0 0 329.356 3.422 10 10 EGCERN CC[C@@]1(C)CC[C@@H](Cn2c(C)nnc2N(C)Cc2ccccc2O)O1 ZINC001497480729 1396764000 /nfs/dbraw/zinc/76/40/00/1396764000.db2.gz KSSJGJDIMZAKFB-LPHOPBHVSA-N 0 0 344.459 3.276 10 10 EGCERN CCCCN(C)c1nnc(CC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001695192389 1406083422 /nfs/dbraw/zinc/08/34/22/1406083422.db2.gz HXDTZEMNFSCZGY-UHFFFAOYSA-N 0 0 333.455 3.330 10 10 EGCERN COC[C@H](C)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC001712137600 1417486244 /nfs/dbraw/zinc/48/62/44/1417486244.db2.gz ATSJUSWKZMAQJW-OAHLLOKOSA-N 0 0 346.475 3.101 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001761698475 1441373153 /nfs/dbraw/zinc/37/31/53/1441373153.db2.gz WLDAHRFXLBTEJX-HOCLYGCPSA-N 0 0 341.503 3.492 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCC[C@@H]1CCCCO1 ZINC001762515742 1441375987 /nfs/dbraw/zinc/37/59/87/1441375987.db2.gz JDAMFHBAXATKHV-KRWDZBQOSA-N 0 0 344.459 3.278 10 10 EGCERN CSCCCCCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001770554151 1441412418 /nfs/dbraw/zinc/41/24/18/1441412418.db2.gz DDPZDKHVTJQMGT-UHFFFAOYSA-N 0 0 334.489 3.462 10 10 EGCERN Cc1cc(CNC(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC000021881182 202073772 /nfs/dbraw/zinc/07/37/72/202073772.db2.gz PLJGQVKTWVSSCK-GOSISDBHSA-N 0 0 345.418 3.211 10 10 EGCERN Cc1nc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000048234802 132426566 /nfs/dbraw/zinc/42/65/66/132426566.db2.gz FCZZWEQGTCIFMG-BETUJISGSA-N 0 0 349.475 3.494 10 10 EGCERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cccnc1 ZINC000174071338 455356444 /nfs/dbraw/zinc/35/64/44/455356444.db2.gz FVQWGUKANPMALH-CRAIPNDOSA-N 0 0 340.423 3.099 10 10 EGCERN Cc1cc(C(=O)O[C@@H](C)C(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000016047197 453592864 /nfs/dbraw/zinc/59/28/64/453592864.db2.gz MPLWKKIFLAASQG-HNNXBMFYSA-N 0 0 328.412 3.164 10 10 EGCERN CCOC(=O)CCCCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000040139489 453948227 /nfs/dbraw/zinc/94/82/27/453948227.db2.gz HYCPAEIOQGTRGP-UHFFFAOYSA-N 0 0 349.475 3.065 10 10 EGCERN COc1ccc(N2CCN(Cc3ncc(C(C)(C)C)o3)CC2)cc1 ZINC000041646418 453975357 /nfs/dbraw/zinc/97/53/57/453975357.db2.gz AZDVYWHCAUMBJV-UHFFFAOYSA-N 0 0 329.444 3.303 10 10 EGCERN Cc1nc([C@@H](C)NC(=O)NCCCSc2nccs2)cs1 ZINC000089709058 454181474 /nfs/dbraw/zinc/18/14/74/454181474.db2.gz YZUCPMYSDOTUDS-SECBINFHSA-N 0 0 342.515 3.451 10 10 EGCERN COc1ccc(CC(=O)NC(C)(C)c2ccc(OC)cc2O)cc1 ZINC000089761855 454191827 /nfs/dbraw/zinc/19/18/27/454191827.db2.gz PITFNOWRDSSUPN-UHFFFAOYSA-N 0 0 329.396 3.003 10 10 EGCERN Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c(O)c1O ZINC000177674230 454890488 /nfs/dbraw/zinc/89/04/88/454890488.db2.gz AGAFJFAUFDSPLB-HNNXBMFYSA-N 0 0 347.798 3.273 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccsc3)C2)c1O ZINC000126459028 454895472 /nfs/dbraw/zinc/89/54/72/454895472.db2.gz QEBZULXCKBVMGR-MRXNPFEDSA-N 0 0 335.400 3.369 10 10 EGCERN COc1ccc(N(CC(=O)NC(C)(C)C)Cc2ccco2)cc1F ZINC000150865386 454904801 /nfs/dbraw/zinc/90/48/01/454904801.db2.gz ARYFEILOFKKFLK-UHFFFAOYSA-N 0 0 334.391 3.349 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCCCc2ccccn2)cc1 ZINC000179180551 455017456 /nfs/dbraw/zinc/01/74/56/455017456.db2.gz YLHGQIDCZKTUSL-UHFFFAOYSA-N 0 0 340.471 3.360 10 10 EGCERN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)c1cccnc1 ZINC000115638507 455023674 /nfs/dbraw/zinc/02/36/74/455023674.db2.gz BQQYMNGDTFRVCF-HNNXBMFYSA-N 0 0 326.444 3.440 10 10 EGCERN COc1cccc(/C(C)=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183418066 455290214 /nfs/dbraw/zinc/29/02/14/455290214.db2.gz PVXGIUNJUGVALQ-SSUFTNFISA-N 0 0 341.407 3.257 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1O ZINC000189511323 455211737 /nfs/dbraw/zinc/21/17/37/455211737.db2.gz HHVKWFPIVKSNNW-LLVKDONJSA-N 0 0 346.406 3.026 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccccc1F ZINC000183449319 455293832 /nfs/dbraw/zinc/29/38/32/455293832.db2.gz SPVIPRRPJXXXOE-LBPRGKRZSA-N 0 0 331.387 3.262 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000245483492 455311556 /nfs/dbraw/zinc/31/15/56/455311556.db2.gz FOOGZOCKXQGDNX-BWTSREIZSA-N 0 0 328.456 3.170 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2cccnc2)cc1F ZINC000174729295 455412775 /nfs/dbraw/zinc/41/27/75/455412775.db2.gz RCAWCQZBAGWWIC-AWEZNQCLSA-N 0 0 329.419 3.487 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247282051 455582908 /nfs/dbraw/zinc/58/29/08/455582908.db2.gz YQHRCTSMHBSJDX-CHWSQXEVSA-N 0 0 334.268 3.405 10 10 EGCERN C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000185663456 455591594 /nfs/dbraw/zinc/59/15/94/455591594.db2.gz AFJVTCRSFSBTPI-LDYMZIIASA-N 0 0 327.215 3.476 10 10 EGCERN C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192634759 455658501 /nfs/dbraw/zinc/65/85/01/455658501.db2.gz OXSOMYACFGGRGT-WDEREUQCSA-N 0 0 333.259 3.070 10 10 EGCERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000248574787 455721222 /nfs/dbraw/zinc/72/12/22/455721222.db2.gz UNAWWHSKQVHUAH-MRVWCRGKSA-N 0 0 331.437 3.319 10 10 EGCERN CO[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000293481657 455788168 /nfs/dbraw/zinc/78/81/68/455788168.db2.gz VPFAISOCPGPDEG-ZHALLVOQSA-N 0 0 347.455 3.105 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1F ZINC000187514847 455919308 /nfs/dbraw/zinc/91/93/08/455919308.db2.gz RKVIPBWYSLBVMK-QGPMSJSTSA-N 0 0 349.450 3.039 10 10 EGCERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cn[nH]c1 ZINC000270337427 455931834 /nfs/dbraw/zinc/93/18/34/455931834.db2.gz NCKVKVXLIFLZMF-HNNXBMFYSA-N 0 0 341.459 3.303 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000270344485 455933309 /nfs/dbraw/zinc/93/33/09/455933309.db2.gz OIXBZKBZRWJWPU-AWEZNQCLSA-N 0 0 329.448 3.157 10 10 EGCERN CCOc1cccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1O ZINC000272504801 455973884 /nfs/dbraw/zinc/97/38/84/455973884.db2.gz HUSYZFKSLPMMJZ-UHFFFAOYSA-N 0 0 347.411 3.453 10 10 EGCERN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000273388037 456227513 /nfs/dbraw/zinc/22/75/13/456227513.db2.gz KBRPMPUSRDFIOQ-RYUDHWBXSA-N 0 0 344.367 3.483 10 10 EGCERN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(N3CCCC3)nc2)c1 ZINC000273505162 456234669 /nfs/dbraw/zinc/23/46/69/456234669.db2.gz QVTCDRKJJQGUDZ-CYBMUJFWSA-N 0 0 341.411 3.347 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000275891738 456343060 /nfs/dbraw/zinc/34/30/60/456343060.db2.gz JCKZXSFQTYEJCG-UAPYVXQJSA-N 0 0 326.440 3.470 10 10 EGCERN O=C(NCCCc1nccs1)NCc1ccc(N2CCCC2)cc1 ZINC000290636949 456390764 /nfs/dbraw/zinc/39/07/64/456390764.db2.gz HPBSQPLPOZESCV-UHFFFAOYSA-N 0 0 344.484 3.175 10 10 EGCERN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000291194237 456560458 /nfs/dbraw/zinc/56/04/58/456560458.db2.gz GWAHYDXGBLLFOM-LJQANCHMSA-N 0 0 331.843 3.490 10 10 EGCERN CC1(C)CC(=O)c2cc(NC(=O)NCc3ccccc3O)ccc2O1 ZINC000376591400 458347156 /nfs/dbraw/zinc/34/71/56/458347156.db2.gz CSOBJHWBDMFRDX-UHFFFAOYSA-N 0 0 340.379 3.458 10 10 EGCERN Cc1cc(Cl)cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000372921880 458349344 /nfs/dbraw/zinc/34/93/44/458349344.db2.gz LAXCUNJJGPFTNS-OAHLLOKOSA-N 0 0 328.803 3.351 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000377405486 458499494 /nfs/dbraw/zinc/49/94/94/458499494.db2.gz UKTPHHPIGSGVPX-SJLPKXTDSA-N 0 0 328.368 3.310 10 10 EGCERN CCOC[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000494749603 458741339 /nfs/dbraw/zinc/74/13/39/458741339.db2.gz RQAQHWYOEIDMHD-ZDUSSCGKSA-N 0 0 332.444 3.059 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCc3nc(C(C)C)ncc3C2)c1O ZINC000527619272 459672981 /nfs/dbraw/zinc/67/29/81/459672981.db2.gz IZUAFZHBDUZWRB-UHFFFAOYSA-N 0 0 343.402 3.206 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000527735467 459719065 /nfs/dbraw/zinc/71/90/65/459719065.db2.gz CQSCWLAHCMZCHI-LBPRGKRZSA-N 0 0 328.250 3.369 10 10 EGCERN O=C(NCc1ccccc1O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528299842 459802381 /nfs/dbraw/zinc/80/23/81/459802381.db2.gz XQTUBARKHPCVJN-XOKHGSTOSA-N 0 0 328.799 3.183 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cnoc2)CCCC1 ZINC000649668363 461260438 /nfs/dbraw/zinc/26/04/38/461260438.db2.gz VBCCWYPFMIZRPP-UHFFFAOYSA-N 0 0 325.368 3.155 10 10 EGCERN C[C@H]1CCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc2S1 ZINC000665859378 461313766 /nfs/dbraw/zinc/31/37/66/461313766.db2.gz SEADZBUXNCZWTJ-NSHDSACASA-N 0 0 339.420 3.107 10 10 EGCERN COc1ccc(N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000057350689 536699635 /nfs/dbraw/zinc/69/96/35/536699635.db2.gz OGPPVMLHZPPSSI-HNNXBMFYSA-N 0 0 341.411 3.487 10 10 EGCERN Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)sc2nccn12 ZINC000270647471 547343035 /nfs/dbraw/zinc/34/30/35/547343035.db2.gz ATFDRORPEJZPPD-UHFFFAOYSA-N 0 0 340.452 3.234 10 10 EGCERN O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cccc(Br)c1[O-] ZINC000728782434 574770827 /nfs/dbraw/zinc/77/08/27/574770827.db2.gz ODQKIZUDFOPNFE-CYBMUJFWSA-N 0 0 349.228 3.423 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000728950338 574789500 /nfs/dbraw/zinc/78/95/00/574789500.db2.gz LDOLGSGBEULOSE-VUCTXSBTSA-N 0 0 326.396 3.317 10 10 EGCERN Cc1cc(C(=O)OC[C@@H]2COCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000729099467 574813902 /nfs/dbraw/zinc/81/39/02/574813902.db2.gz FCOPDGBXIQYAOT-INIZCTEOSA-N 0 0 349.814 3.320 10 10 EGCERN C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000757659339 574968975 /nfs/dbraw/zinc/96/89/75/574968975.db2.gz YJBYDRKADSUCDD-ZJUUUORDSA-N 0 0 332.213 3.371 10 10 EGCERN COC(=O)c1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)c(C)o1 ZINC000741794953 575433373 /nfs/dbraw/zinc/43/33/73/575433373.db2.gz FTTVKZDBGYQIJU-UHFFFAOYSA-N 0 0 349.383 3.037 10 10 EGCERN Cc1cc(C(=O)COC(=O)C2=COCC2)c(C)n1-c1ccc(F)cc1 ZINC000734194357 575455309 /nfs/dbraw/zinc/45/53/09/575455309.db2.gz VYKGKVPIWJAXBM-UHFFFAOYSA-N 0 0 343.354 3.263 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000734407312 575481556 /nfs/dbraw/zinc/48/15/56/575481556.db2.gz MLNGITBAYMNLBY-SFHVURJKSA-N 0 0 344.842 3.334 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N(C[C@H](C)OC)C(C)C)cc1 ZINC000741079709 576653482 /nfs/dbraw/zinc/65/34/82/576653482.db2.gz NZGSDWLANLSDDQ-INIZCTEOSA-N 0 0 335.492 3.488 10 10 EGCERN Oc1ccc2c(c1CNC(=S)NCc1ccccc1)CCCC2 ZINC000741877048 576730508 /nfs/dbraw/zinc/73/05/08/576730508.db2.gz WDUZFQYRRLAAQY-UHFFFAOYSA-N 0 0 326.465 3.435 10 10 EGCERN Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000742468270 576786210 /nfs/dbraw/zinc/78/62/10/576786210.db2.gz BCLDCSISHFNXGM-QGZVFWFLSA-N 0 0 340.471 3.368 10 10 EGCERN COC[C@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000103615528 1293010436 /nfs/dbraw/zinc/01/04/36/1293010436.db2.gz ZWCHYBXETCJZDW-GUYCJALGSA-N 0 0 344.411 3.149 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000131589166 1293694779 /nfs/dbraw/zinc/69/47/79/1293694779.db2.gz PDVDOBPLWMPINF-NVXWUHKLSA-N 0 0 330.378 3.451 10 10 EGCERN COc1ccc(N(C)Cc2noc(-c3ccccc3)n2)c(OC)c1 ZINC000131896870 1293703559 /nfs/dbraw/zinc/70/35/59/1293703559.db2.gz FUTATVLKTRIDRQ-UHFFFAOYSA-N 0 0 325.368 3.390 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000176513354 1294611325 /nfs/dbraw/zinc/61/13/25/1294611325.db2.gz QNNAWJKZHCSTDU-ROUUACIJSA-N 0 0 325.456 3.394 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)[C@@H](C)OC)c2C)cc1 ZINC000190397558 1295587879 /nfs/dbraw/zinc/58/78/79/1295587879.db2.gz QQKVWCQNFBLUND-DZGCQCFKSA-N 0 0 330.428 3.256 10 10 EGCERN CO[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000870709926 1296034984 /nfs/dbraw/zinc/03/49/84/1296034984.db2.gz WZFPAUBQEXXIPM-CZUORRHYSA-N 0 0 327.428 3.129 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871328762 1296352763 /nfs/dbraw/zinc/35/27/63/1296352763.db2.gz LJDYGIMFODRUHD-GQSKFBFOSA-N 0 0 331.412 3.061 10 10 EGCERN Cn1ncc(Br)c1COc1ccc(N2CCCC2)cc1 ZINC000871736463 1296509841 /nfs/dbraw/zinc/50/98/41/1296509841.db2.gz LZITZVACFHETEY-UHFFFAOYSA-N 0 0 336.233 3.362 10 10 EGCERN CC1(C)OC(=O)c2ccccc2[C@@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000872171367 1296793788 /nfs/dbraw/zinc/79/37/88/1296793788.db2.gz SFADQLOYNJTWER-QGZVFWFLSA-N 0 0 349.390 3.324 10 10 EGCERN CN(C)c1ccc2c(c1)CN(C(=O)C1(c3ccccc3)CC1)CCO2 ZINC000581789633 1298008602 /nfs/dbraw/zinc/00/86/02/1298008602.db2.gz BDKXXQKUMLOVMZ-UHFFFAOYSA-N 0 0 336.435 3.205 10 10 EGCERN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CCOCC1 ZINC000708141145 1298238348 /nfs/dbraw/zinc/23/83/48/1298238348.db2.gz QHLHTWOCHDCFBX-UHFFFAOYSA-N 0 0 334.641 3.419 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1O ZINC000875932917 1298523072 /nfs/dbraw/zinc/52/30/72/1298523072.db2.gz RMOQXKIPAVPUJG-XCRHUMRWSA-N 0 0 326.396 3.283 10 10 EGCERN Oc1cc(Br)ccc1CN1CCc2nc[nH]c2C12CCC2 ZINC000895068555 1309177680 /nfs/dbraw/zinc/17/76/80/1309177680.db2.gz FKVUKRQDBLDKKR-UHFFFAOYSA-N 0 0 348.244 3.315 10 10 EGCERN COc1c([O-])c(C[NH2+]CC[C@@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000895545989 1309394995 /nfs/dbraw/zinc/39/49/95/1309394995.db2.gz WHFNUJHECJMALY-NSHDSACASA-N 0 0 330.331 3.224 10 10 EGCERN O=C(NC[C@@H]1CC1(Cl)Cl)c1cc2cc(O)c(O)cc2s1 ZINC000895633618 1309436955 /nfs/dbraw/zinc/43/69/55/1309436955.db2.gz GAZSSBFBWMSSSV-ZETCQYMHSA-N 0 0 332.208 3.236 10 10 EGCERN CC1(C)CO[C@@H](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000896270074 1309778692 /nfs/dbraw/zinc/77/86/92/1309778692.db2.gz NQYKRNZFXDUGBL-IRXDYDNUSA-N 0 0 347.455 3.105 10 10 EGCERN Cc1noc(C)c1C[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896498302 1309886976 /nfs/dbraw/zinc/88/69/76/1309886976.db2.gz YUPNYFWQDGCPNJ-QMMMGPOBSA-N 0 0 346.408 3.278 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@H]1c1ncon1 ZINC000896846279 1310048594 /nfs/dbraw/zinc/04/85/94/1310048594.db2.gz AUKGXTKTOHPQPN-JTQLQIEISA-N 0 0 345.380 3.063 10 10 EGCERN CC(C)CO[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896971731 1310112579 /nfs/dbraw/zinc/11/25/79/1310112579.db2.gz BLWXAJPMMYBFGV-GFCCVEGCSA-N 0 0 335.425 3.200 10 10 EGCERN CCOC1CC2(C1)CCN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC000897748134 1310453990 /nfs/dbraw/zinc/45/39/90/1310453990.db2.gz UBHNUAPYEDKGRS-UHFFFAOYSA-N 0 0 347.436 3.344 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000897891961 1310507751 /nfs/dbraw/zinc/50/77/51/1310507751.db2.gz AFUVIUQNSXWBEW-JHJVBQTASA-N 0 0 347.436 3.078 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000897891964 1310508410 /nfs/dbraw/zinc/50/84/10/1310508410.db2.gz AFUVIUQNSXWBEW-YNEHKIRRSA-N 0 0 347.436 3.078 10 10 EGCERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](CO)CC(C)(C)C ZINC000897914279 1310515066 /nfs/dbraw/zinc/51/50/66/1310515066.db2.gz IZYFLQVTQAHITR-LLVKDONJSA-N 0 0 337.441 3.182 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000898685949 1310822359 /nfs/dbraw/zinc/82/23/59/1310822359.db2.gz KAZACBXIDBBNHZ-QFBILLFUSA-N 0 0 344.455 3.273 10 10 EGCERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCOC1 ZINC000899222803 1310985601 /nfs/dbraw/zinc/98/56/01/1310985601.db2.gz NTNNUORQDYVURJ-JQWIXIFHSA-N 0 0 335.425 3.248 10 10 EGCERN COc1cc(N(C)CCSc2ccncc2)cc(OC)c1OC ZINC000929706401 1328673457 /nfs/dbraw/zinc/67/34/57/1328673457.db2.gz AWMYFOXFIUFIBR-UHFFFAOYSA-N 0 0 334.441 3.336 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858082554 1328677533 /nfs/dbraw/zinc/67/75/33/1328677533.db2.gz HHZIAGIFFIAABS-AWEZNQCLSA-N 0 0 330.409 3.020 10 10 EGCERN CCCc1ncc(CNCc2c(O)cccc2Br)o1 ZINC000858174146 1328703456 /nfs/dbraw/zinc/70/34/56/1328703456.db2.gz NIHZQXDRDRUNQM-UHFFFAOYSA-N 0 0 325.206 3.385 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@H]2COc3c2ccc(C)c3C)c1 ZINC000858188062 1328707731 /nfs/dbraw/zinc/70/77/31/1328707731.db2.gz QTQKDFLJWGJSBW-INIZCTEOSA-N 0 0 326.396 3.250 10 10 EGCERN Cc1cc(CNC(=O)N[C@H](C)c2cn[nH]c2)c(C)n1-c1ccccc1 ZINC000858325989 1328737035 /nfs/dbraw/zinc/73/70/35/1328737035.db2.gz SNWXDZYIAXONGY-CQSZACIVSA-N 0 0 337.427 3.378 10 10 EGCERN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2nccnc2F)C1 ZINC000858405859 1328754031 /nfs/dbraw/zinc/75/40/31/1328754031.db2.gz STJDALFEFYSWQY-ZDUSSCGKSA-N 0 0 336.798 3.051 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000858464197 1328768139 /nfs/dbraw/zinc/76/81/39/1328768139.db2.gz IXDSERIHAMZAGI-YOEHRIQHSA-N 0 0 346.471 3.236 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@H]1CCCOC1 ZINC000858543254 1328792550 /nfs/dbraw/zinc/79/25/50/1328792550.db2.gz HJYIIJSAEBTQDD-DLBZAZTESA-N 0 0 347.503 3.108 10 10 EGCERN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCC(C)(C)C2CC2)c1 ZINC000914153861 1319255000 /nfs/dbraw/zinc/25/50/00/1319255000.db2.gz MYTYVKOUQOTIEH-LBPRGKRZSA-N 0 0 341.473 3.208 10 10 EGCERN C[C@H](NC(=O)[C@H]1CCCC12CC2)c1ccc(N2CCOCC2)cc1 ZINC000858786508 1328860603 /nfs/dbraw/zinc/86/06/03/1328860603.db2.gz RESBTFWBQHJZAM-MAUKXSAKSA-N 0 0 328.456 3.281 10 10 EGCERN Cc1nc2sccn2c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000860243651 1329182156 /nfs/dbraw/zinc/18/21/56/1329182156.db2.gz SRXZXSMASAFYIB-UHFFFAOYSA-N 0 0 341.436 3.219 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC(C)(C)[C@@H](C)O)ccc1C ZINC000860516537 1329326161 /nfs/dbraw/zinc/32/61/61/1329326161.db2.gz DHVQZTKAJGIQKJ-OAHLLOKOSA-N 0 0 342.439 3.104 10 10 EGCERN C[C@H]([NH2+]CCOC1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000927078153 1327848087 /nfs/dbraw/zinc/84/80/87/1327848087.db2.gz GDLHPBMWPYCLDL-NSHDSACASA-N 0 0 333.350 3.257 10 10 EGCERN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000927924281 1328156096 /nfs/dbraw/zinc/15/60/96/1328156096.db2.gz UNGXYLNTCGKMAH-OAHLLOKOSA-N 0 0 337.423 3.002 10 10 EGCERN Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1c(O)cccc1F ZINC000928707825 1328404902 /nfs/dbraw/zinc/40/49/02/1328404902.db2.gz CMQMKDRKMUVBHA-UHFFFAOYSA-N 0 0 342.374 3.095 10 10 EGCERN COc1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(O)c1 ZINC000861490559 1329421674 /nfs/dbraw/zinc/42/16/74/1329421674.db2.gz WPWGBAIDGPTESS-BPQIPLTHSA-N 0 0 343.810 3.256 10 10 EGCERN CO[C@H]1C[C@@H](N(C)C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000861664616 1329434967 /nfs/dbraw/zinc/43/49/67/1329434967.db2.gz CMLQPUMJCFBOKT-KDURUIRLSA-N 0 0 340.423 3.156 10 10 EGCERN Cc1cc(C)n([C@@H](C)CC(=O)NCc2ccc3cccnc3c2O)n1 ZINC000862028704 1329455952 /nfs/dbraw/zinc/45/59/52/1329455952.db2.gz IJHVMVSWGJHXBK-AWEZNQCLSA-N 0 0 338.411 3.021 10 10 EGCERN C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc2cccnc2c1O ZINC000862027764 1329455991 /nfs/dbraw/zinc/45/59/91/1329455991.db2.gz DXHGNMPWUQMKDA-XJKSGUPXSA-N 0 0 328.412 3.152 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](CCF)C1 ZINC000863078200 1329527989 /nfs/dbraw/zinc/52/79/89/1329527989.db2.gz SQSOWMHEIIHVFB-AWEZNQCLSA-N 0 0 336.432 3.356 10 10 EGCERN Cc1nnc(NNC(=S)Nc2c(Cl)ccc(C)c2Cl)n1C ZINC000863206696 1329534413 /nfs/dbraw/zinc/53/44/13/1329534413.db2.gz VKWCVLQLBHLODO-UHFFFAOYSA-N 0 0 345.259 3.052 10 10 EGCERN CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000863543558 1329561890 /nfs/dbraw/zinc/56/18/90/1329561890.db2.gz QTFSVUBNBMXSGU-AQUOVQTQSA-N 0 0 331.229 3.085 10 10 EGCERN COc1ccc([C@@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)cc1F ZINC000863694369 1329575912 /nfs/dbraw/zinc/57/59/12/1329575912.db2.gz LDWLWDHDUHIWGM-CYBMUJFWSA-N 0 0 345.370 3.184 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@]12C[C@H]1CCCC2 ZINC000864919573 1329651500 /nfs/dbraw/zinc/65/15/00/1329651500.db2.gz ZQUPNWCFLKEZOQ-VQIMIIECSA-N 0 0 330.497 3.436 10 10 EGCERN CCOC1CC2(C[C@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000865032210 1329663346 /nfs/dbraw/zinc/66/33/46/1329663346.db2.gz USPYJXQYURINGR-SCCNAQOGSA-N 0 0 342.483 3.498 10 10 EGCERN CN(C)c1ccc(CNC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cc1F ZINC000865051613 1329665439 /nfs/dbraw/zinc/66/54/39/1329665439.db2.gz PPSDJCCUDGTDAM-XYPWUTKMSA-N 0 0 346.446 3.293 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)O1 ZINC000865604090 1329718817 /nfs/dbraw/zinc/71/88/17/1329718817.db2.gz REMQQLVWHDVKDN-JTDSTZFVSA-N 0 0 330.472 3.353 10 10 EGCERN CN(C(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccnc1 ZINC000865763559 1329736156 /nfs/dbraw/zinc/73/61/56/1329736156.db2.gz JLBFLRJVANBFKL-BOLDSZDNSA-N 0 0 345.443 3.248 10 10 EGCERN COc1ccc(N2CC[C@H](CNc3ncc(F)cc3[N+](=O)[O-])C2)cc1 ZINC000865888077 1329749097 /nfs/dbraw/zinc/74/90/97/1329749097.db2.gz GSEBVXQQFRUSFV-GFCCVEGCSA-N 0 0 346.362 3.076 10 10 EGCERN COc1ccc(N2CC[C@H](CNc3cccc(C(C)=O)n3)C2)cc1 ZINC000865887745 1329749132 /nfs/dbraw/zinc/74/91/32/1329749132.db2.gz BUKVTQUOCVLWDC-OAHLLOKOSA-N 0 0 325.412 3.231 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3cccnc3)C2)cc1OC ZINC000866017822 1329759519 /nfs/dbraw/zinc/75/95/19/1329759519.db2.gz GPDWLCOKUZKAHR-CQSZACIVSA-N 0 0 343.383 3.391 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN[C@H](c2ncccn2)C2CC2)c1O ZINC000932356888 1329807710 /nfs/dbraw/zinc/80/77/10/1329807710.db2.gz BCPNNDRAKNHJGA-HNNXBMFYSA-N 0 0 331.803 3.279 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCC2([C@H]3CCCCO3)CCC2)cc1 ZINC000866092319 1330064787 /nfs/dbraw/zinc/06/47/87/1330064787.db2.gz IAIGUPQXKFVPLL-GOSISDBHSA-N 0 0 345.487 3.291 10 10 EGCERN C[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000866516259 1330120899 /nfs/dbraw/zinc/12/08/99/1330120899.db2.gz BSRPYKVASHZOBJ-XNRPHZJLSA-N 0 0 349.427 3.187 10 10 EGCERN COc1cccc(CNC(=O)[C@@H](C)CC(=O)c2ccc(F)cc2)c1O ZINC000866764278 1330147715 /nfs/dbraw/zinc/14/77/15/1330147715.db2.gz RUNJKTOCTCBVCK-LBPRGKRZSA-N 0 0 345.370 3.065 10 10 EGCERN CCC(C)(C)CCS(=O)(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000866842159 1330151418 /nfs/dbraw/zinc/15/14/18/1330151418.db2.gz SILVAFTXMJPTNC-GFCCVEGCSA-N 0 0 329.462 3.208 10 10 EGCERN C[C@H](NC(=O)c1cc(C(F)(F)F)ncn1)c1ccc(N(C)C)cc1 ZINC000867504191 1330206378 /nfs/dbraw/zinc/20/63/78/1330206378.db2.gz FWRLLZKNAGNBHP-JTQLQIEISA-N 0 0 338.333 3.052 10 10 EGCERN O=S(=O)(Cc1ccc(C(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC000867690236 1330215216 /nfs/dbraw/zinc/21/52/16/1330215216.db2.gz DWPFEHUUOKFTRG-UHFFFAOYSA-N 0 0 339.363 3.175 10 10 EGCERN CC(C)Oc1ncccc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868104250 1330249557 /nfs/dbraw/zinc/24/95/57/1330249557.db2.gz MBEJVXPOXJYVRD-ZDUSSCGKSA-N 0 0 329.400 3.135 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccccc1O ZINC000868455618 1330282062 /nfs/dbraw/zinc/28/20/62/1330282062.db2.gz KYEPSUBHSWZHLY-MMMKDXCPSA-N 0 0 338.498 3.132 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)c1ccncc1 ZINC000868890312 1330367962 /nfs/dbraw/zinc/36/79/62/1330367962.db2.gz QTMNVKYZMXWISF-CVEARBPZSA-N 0 0 325.456 3.307 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)c1ccncc1 ZINC000868890313 1330368086 /nfs/dbraw/zinc/36/80/86/1330368086.db2.gz QTMNVKYZMXWISF-HOTGVXAUSA-N 0 0 325.456 3.307 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000869003100 1330392837 /nfs/dbraw/zinc/39/28/37/1330392837.db2.gz MOJLFBLKAVMFJV-MJGOQNOKSA-N 0 0 345.487 3.065 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)c3coc(SC)c3)C2)cc1 ZINC000869227899 1330442571 /nfs/dbraw/zinc/44/25/71/1330442571.db2.gz CQJGCYSVSUHGES-ZDUSSCGKSA-N 0 0 332.425 3.019 10 10 EGCERN Cc1ccc(O)c(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000869410620 1330485569 /nfs/dbraw/zinc/48/55/69/1330485569.db2.gz NDTNTGOEWUQSDL-UHFFFAOYSA-N 0 0 340.379 3.347 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(CO)cc1 ZINC001123435406 1372466812 /nfs/dbraw/zinc/46/68/12/1372466812.db2.gz VQZRNNLBOLQDNR-UHFFFAOYSA-N 0 0 325.412 3.101 10 10 EGCERN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1-c1cnn(C)c1 ZINC001124552780 1372711449 /nfs/dbraw/zinc/71/14/49/1372711449.db2.gz KRJAZIOPAKVJKW-UHFFFAOYSA-N 0 0 348.450 3.392 10 10 EGCERN O=C(CCc1cncs1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001126783245 1373022494 /nfs/dbraw/zinc/02/24/94/1373022494.db2.gz HEVXWZVHZKDODF-UHFFFAOYSA-N 0 0 349.419 3.424 10 10 EGCERN Cc1cc(CC(=O)N[C@]2(C)CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC001127890904 1373196816 /nfs/dbraw/zinc/19/68/16/1373196816.db2.gz RBHVDCKKYFZNMY-OXQOHEQNSA-N 0 0 326.440 3.320 10 10 EGCERN CCC[C@@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OCC ZINC001230195758 1375964744 /nfs/dbraw/zinc/96/47/44/1375964744.db2.gz QMBNFPZWKCSTFT-APWZRJJASA-N 0 0 349.519 3.496 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Cc2ccncc2)cc1 ZINC001135361648 1377053373 /nfs/dbraw/zinc/05/33/73/1377053373.db2.gz IJBQIFTZCWADBH-UHFFFAOYSA-N 0 0 334.375 3.265 10 10 EGCERN COCCN(Cc1ccco1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136168739 1377360218 /nfs/dbraw/zinc/36/02/18/1377360218.db2.gz LQZBQHWKUHHLGH-UHFFFAOYSA-N 0 0 347.392 3.194 10 10 EGCERN CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001136705349 1377416336 /nfs/dbraw/zinc/41/63/36/1377416336.db2.gz JJPJDEDNVPEBKR-ZMBJWTFHSA-N 0 0 330.472 3.256 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCc3ccc(F)cc32)cc1 ZINC001136722451 1377417670 /nfs/dbraw/zinc/41/76/70/1377417670.db2.gz CADLJKULYZRHEF-HNNXBMFYSA-N 0 0 326.331 3.405 10 10 EGCERN Cc1csc([C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C2CC2)n1 ZINC001136972271 1377448016 /nfs/dbraw/zinc/44/80/16/1377448016.db2.gz GWKNMPRJHBPZCN-CYBMUJFWSA-N 0 0 343.412 3.495 10 10 EGCERN COc1ccc(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1F ZINC001137379778 1377535610 /nfs/dbraw/zinc/53/56/10/1377535610.db2.gz RMXNMEGLMUWWRB-UHFFFAOYSA-N 0 0 330.319 3.273 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)c1cc2c(ccnc2Cl)s1 ZINC001137464833 1377552015 /nfs/dbraw/zinc/55/20/15/1377552015.db2.gz RYEOBMNRAJEFSF-UHFFFAOYSA-N 0 0 348.811 3.333 10 10 EGCERN O=C(Nc1cc(C(F)(F)F)[nH]n1)c1cc2cc(O)c(O)cc2s1 ZINC001137716765 1377604864 /nfs/dbraw/zinc/60/48/64/1377604864.db2.gz SDKLURMKROQZMQ-UHFFFAOYSA-N 0 0 343.286 3.307 10 10 EGCERN Cc1ccc(Br)cc1C(=O)NCc1ccc(O)cc1O ZINC001142534113 1378454462 /nfs/dbraw/zinc/45/44/62/1378454462.db2.gz ZQQDLQWICOUGIA-UHFFFAOYSA-N 0 0 336.185 3.099 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(C=O)c[nH]c2c1 ZINC001146198164 1378793552 /nfs/dbraw/zinc/79/35/52/1378793552.db2.gz WGIDUPFKOCSYBR-UHFFFAOYSA-N 0 0 335.407 3.285 10 10 EGCERN Cc1cc(CC(=O)NC[C@H](O)c2ccccc2)c(C)n1-c1ccccc1 ZINC001150081536 1379491550 /nfs/dbraw/zinc/49/15/50/1379491550.db2.gz LBRVECSLVRUATK-NRFANRHFSA-N 0 0 348.446 3.486 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC001150710733 1379599378 /nfs/dbraw/zinc/59/93/78/1379599378.db2.gz DWAYIRSIGLGVPE-UHFFFAOYSA-N 0 0 341.382 3.485 10 10 EGCERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001151153160 1379668199 /nfs/dbraw/zinc/66/81/99/1379668199.db2.gz HZFZJKYGEOGHLQ-NIKGAXFTSA-N 0 0 326.440 3.381 10 10 EGCERN CC1=NO[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 ZINC001155725991 1380487760 /nfs/dbraw/zinc/48/77/60/1380487760.db2.gz AIHPLKOYMCQZLW-YVEFUNNKSA-N 0 0 349.862 3.357 10 10 EGCERN COC(=O)c1cccc2c1CCN2C(=O)c1ccccc1-c1cn[nH]c1 ZINC001156979176 1380741948 /nfs/dbraw/zinc/74/19/48/1380741948.db2.gz UIZFWCMEXPLIQU-UHFFFAOYSA-N 0 0 347.374 3.066 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1cnc2ccccc2n1 ZINC001157037721 1380755966 /nfs/dbraw/zinc/75/59/66/1380755966.db2.gz WGLCKDIEHITSJE-UHFFFAOYSA-N 0 0 329.359 3.419 10 10 EGCERN Cn1nc2c(c1C(=O)NCc1c(O)ccc3ccccc31)CCCC2 ZINC001157042114 1380759105 /nfs/dbraw/zinc/75/91/05/1380759105.db2.gz XRGXXHCUQIPLBN-UHFFFAOYSA-N 0 0 335.407 3.088 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(OC2CCCC2)cc1 ZINC001157507486 1380950265 /nfs/dbraw/zinc/95/02/65/1380950265.db2.gz HNOBSBLJCUGDCR-UHFFFAOYSA-N 0 0 341.407 3.278 10 10 EGCERN COc1cc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1OC ZINC001290068484 1382055065 /nfs/dbraw/zinc/05/50/65/1382055065.db2.gz PPXIABAUJCHPDV-UHFFFAOYSA-N 0 0 342.355 3.427 10 10 EGCERN CCc1[nH]c(=O)c(C(=O)NCCCSc2nccs2)cc1C ZINC001292996925 1382242509 /nfs/dbraw/zinc/24/25/09/1382242509.db2.gz IZSVXXLTIHRYSL-UHFFFAOYSA-N 0 0 337.470 3.027 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Br)c(F)c1 ZINC001293422120 1382286247 /nfs/dbraw/zinc/28/62/47/1382286247.db2.gz JLGHBZGPQWTTCF-UHFFFAOYSA-N 0 0 340.148 3.181 10 10 EGCERN CCOC(=O)c1c(NC(=O)c2cccc(O)c2O)sc(C)c1CC ZINC001293887268 1382385562 /nfs/dbraw/zinc/38/55/62/1382385562.db2.gz WXHSWXBDGGRPKW-UHFFFAOYSA-N 0 0 349.408 3.459 10 10 EGCERN CO[C@H](CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(C)C ZINC001294016707 1382407551 /nfs/dbraw/zinc/40/75/51/1382407551.db2.gz KPONDAVUQUKYHL-LJQANCHMSA-N 0 0 342.439 3.307 10 10 EGCERN CCCCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001294269245 1382433514 /nfs/dbraw/zinc/43/35/14/1382433514.db2.gz NJCBTTQIJMRGET-UHFFFAOYSA-N 0 0 337.427 3.482 10 10 EGCERN O=C(COc1ccsn1)N(Cc1ccco1)Cc1ccccc1O ZINC001294673835 1382482927 /nfs/dbraw/zinc/48/29/27/1382482927.db2.gz IMJJSBTWCIBRNT-UHFFFAOYSA-N 0 0 344.392 3.050 10 10 EGCERN COc1ccc(N2CCN(C(=O)C3=CCC(C)(C)CC3)CC2)cc1 ZINC001294756050 1382492421 /nfs/dbraw/zinc/49/24/21/1382492421.db2.gz QBWFCXHMUDTZJZ-UHFFFAOYSA-N 0 0 328.456 3.480 10 10 EGCERN Cc1cc(C(=O)NCc2ccnc(Cl)c2)c(C)n1-c1ccccn1 ZINC001161761303 1382497311 /nfs/dbraw/zinc/49/73/11/1382497311.db2.gz FBNVPUYKYCINMN-UHFFFAOYSA-N 0 0 340.814 3.468 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1nc(-c2ccccc2)cs1 ZINC001162278973 1382718993 /nfs/dbraw/zinc/71/89/93/1382718993.db2.gz PKYRATFTKWQFID-UHFFFAOYSA-N 0 0 326.377 3.151 10 10 EGCERN O=C(NCc1ccc(O)cc1O)C1(c2ccncc2)CC2(CCC2)C1 ZINC001162286901 1382722609 /nfs/dbraw/zinc/72/26/09/1382722609.db2.gz YZERKGXGLLNERT-UHFFFAOYSA-N 0 0 338.407 3.011 10 10 EGCERN CO[C@](C)(C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001162612453 1382808735 /nfs/dbraw/zinc/80/87/35/1382808735.db2.gz JOBSXLMCSAMXLS-FQEVSTJZSA-N 0 0 336.391 3.118 10 10 EGCERN CC(C)n1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1Cl ZINC001328740269 1388837027 /nfs/dbraw/zinc/83/70/27/1388837027.db2.gz IIMKFMMOTCZQFG-UHFFFAOYSA-N 0 0 338.814 3.253 10 10 EGCERN Cc1nn(-c2ccccc2)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001165498331 1383303362 /nfs/dbraw/zinc/30/33/62/1383303362.db2.gz LVRUKRWKTTXYGA-UHFFFAOYSA-N 0 0 341.798 3.470 10 10 EGCERN Cc1cc(CC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001165629451 1383317231 /nfs/dbraw/zinc/31/72/31/1383317231.db2.gz SRMVFGLGUNJHOZ-HUUCEWRRSA-N 0 0 338.451 3.320 10 10 EGCERN CN(C)c1ccc(Cn2c(CC3CC3)nnc2N(C)C2CC2)cc1F ZINC001298059876 1383346913 /nfs/dbraw/zinc/34/69/13/1383346913.db2.gz CJMBBOFJQHRDMF-UHFFFAOYSA-N 0 0 343.450 3.083 10 10 EGCERN CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1ccc(O)cc1O ZINC001299574015 1383573646 /nfs/dbraw/zinc/57/36/46/1383573646.db2.gz NMVCQJAFDRATNI-UHFFFAOYSA-N 0 0 335.787 3.225 10 10 EGCERN CC(C)Oc1cccc(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC001299721154 1383622731 /nfs/dbraw/zinc/62/27/31/1383622731.db2.gz DMEIAXHXFOYILC-UHFFFAOYSA-N 0 0 337.379 3.053 10 10 EGCERN COc1ccc(C(=O)NCc2cc(C)ccc2O)cc1OC(F)F ZINC001301046757 1383692170 /nfs/dbraw/zinc/69/21/70/1383692170.db2.gz JYKDRGUQLICQSL-UHFFFAOYSA-N 0 0 337.322 3.241 10 10 EGCERN CCCc1c(C(=O)N[C@H](C)c2ccccc2O)[nH]c(C)c1C(=O)OC ZINC001302530212 1383757035 /nfs/dbraw/zinc/75/70/35/1383757035.db2.gz FXTQTIBQCVGYRE-LLVKDONJSA-N 0 0 344.411 3.259 10 10 EGCERN C[C@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCOC2(CCC2)C1 ZINC001303775989 1383813782 /nfs/dbraw/zinc/81/37/82/1383813782.db2.gz USHGKLHSSHDXHR-KRWDZBQOSA-N 0 0 344.415 3.318 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001304817129 1383856726 /nfs/dbraw/zinc/85/67/26/1383856726.db2.gz KAEXGNAMDQVQNG-KBPBESRZSA-N 0 0 345.466 3.322 10 10 EGCERN CCc1nnc(N2CCC[C@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001306174463 1383883090 /nfs/dbraw/zinc/88/30/90/1383883090.db2.gz UAGHKXWVPUVMRS-OAHLLOKOSA-N 0 0 339.487 3.260 10 10 EGCERN C[C@H]1CCC[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001313028596 1384388567 /nfs/dbraw/zinc/38/85/67/1384388567.db2.gz JTJXLTPHWNKCNL-LPHOPBHVSA-N 0 0 345.487 3.386 10 10 EGCERN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccc2[nH]c(=O)oc2c1 ZINC001313091855 1384395197 /nfs/dbraw/zinc/39/51/97/1384395197.db2.gz XCRYYCDBNLUGLE-GHMZBOCLSA-N 0 0 341.367 3.360 10 10 EGCERN C=C/C=C\CCNC(=O)NCc1cccc(Br)c1O ZINC001313230298 1384403900 /nfs/dbraw/zinc/40/39/00/1384403900.db2.gz XAHNGNLSBNOEKX-ARJAWSKDSA-N 0 0 325.206 3.086 10 10 EGCERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC001313240979 1384404710 /nfs/dbraw/zinc/40/47/10/1384404710.db2.gz DEFVQBWEKVTUBB-NEPJUHHUSA-N 0 0 329.356 3.422 10 10 EGCERN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001171717402 1384612071 /nfs/dbraw/zinc/61/20/71/1384612071.db2.gz RVLHDEFBLONMKD-LLVKDONJSA-N 0 0 332.381 3.270 10 10 EGCERN CCOC(=O)Cc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001335862691 1388954438 /nfs/dbraw/zinc/95/44/38/1388954438.db2.gz YQPKEJLHVOCQQI-UHFFFAOYSA-N 0 0 340.379 3.046 10 10 EGCERN CCOc1ccc(N2CCN(c3ncnc4ccccc43)CC2)cc1 ZINC001319701877 1386259214 /nfs/dbraw/zinc/25/92/14/1386259214.db2.gz RFZPOLUUJPWRDZ-UHFFFAOYSA-N 0 0 334.423 3.355 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1cnn2cccc(Cl)c12 ZINC001180421312 1386791913 /nfs/dbraw/zinc/79/19/13/1386791913.db2.gz ZTZPUNQLSWXTSJ-UHFFFAOYSA-N 0 0 336.178 3.277 10 10 EGCERN O=C(c1c(F)ccc(O)c1O)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001182911941 1387244775 /nfs/dbraw/zinc/24/47/75/1387244775.db2.gz ZWKRIPUQVHYNNQ-UHFFFAOYSA-N 0 0 335.762 3.205 10 10 EGCERN CC1(C)CCCN1c1nnc(C2SC=CC2=O)n1C[C@@H]1CCOC1 ZINC001344469386 1390793248 /nfs/dbraw/zinc/79/32/48/1390793248.db2.gz LCAGLKDMGQLBEV-LBPRGKRZSA-N 0 0 348.472 3.128 10 10 EGCERN COC(=O)c1sccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001349456486 1391332339 /nfs/dbraw/zinc/33/23/39/1391332339.db2.gz SWFJIJLGPUCLGV-LLVKDONJSA-N 0 0 332.425 3.092 10 10 EGCERN CN(Cc1ccns1)c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001350547669 1391478648 /nfs/dbraw/zinc/47/86/48/1391478648.db2.gz MPLKYNNRVUGUGH-UHFFFAOYSA-N 0 0 347.469 3.215 10 10 EGCERN COCC[C@@H]1CCN(C(=O)/C=C(\C)c2cnccn2)c2ccccc21 ZINC001350942067 1391564543 /nfs/dbraw/zinc/56/45/43/1391564543.db2.gz QALDKRBYWRYHRI-MDJJKAFGSA-N 0 0 337.423 3.437 10 10 EGCERN COc1cccc(C(F)(F)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001353505300 1392026026 /nfs/dbraw/zinc/02/60/26/1392026026.db2.gz YLTLCTGHLLXUCY-UHFFFAOYSA-N 0 0 334.366 3.169 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492800698 1396324402 /nfs/dbraw/zinc/32/44/02/1396324402.db2.gz JSUFBEABKLCHKW-QWHCGFSZSA-N 0 0 331.439 3.075 10 10 EGCERN CCc1nnc(N2CC[C@H](CC)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694686391 1406063146 /nfs/dbraw/zinc/06/31/46/1406063146.db2.gz FYBVETIGRDRUDH-AWEZNQCLSA-N 0 0 345.466 3.330 10 10 EGCERN CCOCC(C)(C)Cn1c(CC)nnc1N(C)Cc1ccccc1O ZINC001696229170 1406109411 /nfs/dbraw/zinc/10/94/11/1406109411.db2.gz SFNRGCKZTHTMDH-UHFFFAOYSA-N 0 0 346.475 3.245 10 10 EGCERN CCc1nnc(N(C)CCC2CC2)n1Cc1ccc(N(C)C)cc1C ZINC001709045038 1417417581 /nfs/dbraw/zinc/41/75/81/1417417581.db2.gz GYRLBCGOYXQNDV-UHFFFAOYSA-N 0 0 341.503 3.500 10 10 EGCERN CCc1nnc(N2CCCC2(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709122282 1417425980 /nfs/dbraw/zinc/42/59/80/1417425980.db2.gz XUGJQCPWZDMMHZ-UHFFFAOYSA-N 0 0 345.466 3.473 10 10 EGCERN CCCCn1c(C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001709620520 1417444067 /nfs/dbraw/zinc/44/40/67/1417444067.db2.gz VNKGQTSAIRICNV-UHFFFAOYSA-N 0 0 343.475 3.112 10 10 EGCERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1[C@H]1C[C@H]1C ZINC001726354552 1427047930 /nfs/dbraw/zinc/04/79/30/1427047930.db2.gz JZXJYLBCKKMUIB-KDOFPFPSSA-N 0 0 325.460 3.404 10 10 EGCERN CC(C)c1nnc(N(C)C2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001750605616 1440107062 /nfs/dbraw/zinc/10/70/62/1440107062.db2.gz FCSZKLKAYLZYES-UHFFFAOYSA-N 0 0 331.439 3.254 10 10 EGCERN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccco3)C(=N)N12 ZINC000032945421 202244067 /nfs/dbraw/zinc/24/40/67/202244067.db2.gz WIYSTCSTAXMICM-JZSRCMMISA-N 0 0 334.426 3.245 10 10 EGCERN COc1ccc(N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000057350691 132199669 /nfs/dbraw/zinc/19/96/69/132199669.db2.gz OGPPVMLHZPPSSI-OAHLLOKOSA-N 0 0 341.411 3.487 10 10 EGCERN CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000527958843 312984352 /nfs/dbraw/zinc/98/43/52/312984352.db2.gz XAZHKCPJCKLCDH-MELADBBJSA-N 0 0 334.243 3.280 10 10 EGCERN CC(C)N(C[C@H](O)c1ccc(O)c(O)c1)C(=O)Nc1ccccc1 ZINC000095445334 454214061 /nfs/dbraw/zinc/21/40/61/454214061.db2.gz CKPVBTFCEBTTMJ-KRWDZBQOSA-N 0 0 330.384 3.074 10 10 EGCERN O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1c1cccnc1 ZINC000096034881 454264993 /nfs/dbraw/zinc/26/49/93/454264993.db2.gz UIHKNJYHMWDDLR-ZSOIEALJSA-N 0 0 338.417 3.135 10 10 EGCERN Cc1ccc(C)n1-c1cnn(CC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000078991384 454351656 /nfs/dbraw/zinc/35/16/56/454351656.db2.gz GAHVIZLHHLMWJG-UHFFFAOYSA-N 0 0 326.375 3.377 10 10 EGCERN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@]2(C)CCCO2)cc1 ZINC000132742268 454361923 /nfs/dbraw/zinc/36/19/23/454361923.db2.gz XVQVDAGXHOIVIV-MRXNPFEDSA-N 0 0 344.377 3.213 10 10 EGCERN CC(C)(C)C(=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000048546108 454496295 /nfs/dbraw/zinc/49/62/95/454496295.db2.gz AMXXCDQBFBSOEV-UHFFFAOYSA-N 0 0 335.359 3.016 10 10 EGCERN CCCOc1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)c(O)c1 ZINC000093457947 454716160 /nfs/dbraw/zinc/71/61/60/454716160.db2.gz KYLPBTADKGLNEO-FQEVSTJZSA-N 0 0 343.423 3.460 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1[O-] ZINC000093690934 454729564 /nfs/dbraw/zinc/72/95/64/454729564.db2.gz WYEVRMVYVBUBML-CQSZACIVSA-N 0 0 349.774 3.002 10 10 EGCERN Cc1nc([C@H](NCc2cccc(C)c2O)c2ccccc2F)no1 ZINC000182243407 455469581 /nfs/dbraw/zinc/46/95/81/455469581.db2.gz CWCPHJURJGCBAI-MRXNPFEDSA-N 0 0 327.359 3.410 10 10 EGCERN CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)c1ccc(N(C)C)cc1 ZINC000167811646 454924113 /nfs/dbraw/zinc/92/41/13/454924113.db2.gz CKEFKEFPZPJMEZ-IAGOWNOFSA-N 0 0 327.476 3.482 10 10 EGCERN CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000191565211 455498264 /nfs/dbraw/zinc/49/82/64/455498264.db2.gz DVOGWRXQCLOTEO-JTQLQIEISA-N 0 0 338.404 3.058 10 10 EGCERN CC(C)(C)SCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117975460 455097230 /nfs/dbraw/zinc/09/72/30/455097230.db2.gz LJJOMOTVTZGTAK-OAHLLOKOSA-N 0 0 337.485 3.432 10 10 EGCERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000172193390 455134295 /nfs/dbraw/zinc/13/42/95/455134295.db2.gz DFMKQVROCQVLSE-INIZCTEOSA-N 0 0 345.487 3.243 10 10 EGCERN COc1cc(O)c(CN2C[C@H](C)OC[C@@H]2c2ccccc2)cc1OC ZINC000245548768 455327845 /nfs/dbraw/zinc/32/78/45/455327845.db2.gz YJNIQMVLIBTOAD-WMLDXEAASA-N 0 0 343.423 3.371 10 10 EGCERN Cc1ncc(CNC(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000266546264 455430598 /nfs/dbraw/zinc/43/05/98/455430598.db2.gz MPSVJEJTKBCTJU-UHFFFAOYSA-N 0 0 331.441 3.035 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3csc(Cl)c3)CC2)cc1 ZINC000191798601 455521490 /nfs/dbraw/zinc/52/14/90/455521490.db2.gz DIMIQFRATPQTGS-UHFFFAOYSA-N 0 0 336.844 3.373 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246931876 455536113 /nfs/dbraw/zinc/53/61/13/455536113.db2.gz SAZMYUVAGQSEDE-CGTJXYLNSA-N 0 0 344.455 3.271 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247301208 455585182 /nfs/dbraw/zinc/58/51/82/455585182.db2.gz HVUAVASGBTVWIN-WDYCEAGBSA-N 0 0 344.455 3.028 10 10 EGCERN Cc1ccc(O)c([C@@H](C)Nc2cccc3c2CCN3S(C)(=O)=O)c1 ZINC000186656909 455813807 /nfs/dbraw/zinc/81/38/07/455813807.db2.gz FYPAKOBDCYZYBS-CYBMUJFWSA-N 0 0 346.452 3.196 10 10 EGCERN CCOc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278537359 455838745 /nfs/dbraw/zinc/83/87/45/455838745.db2.gz WKICOMQLSBJPCJ-UHFFFAOYSA-N 0 0 346.383 3.040 10 10 EGCERN CC1(C)CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)O1 ZINC000279048855 455857205 /nfs/dbraw/zinc/85/72/05/455857205.db2.gz RHPZCXCETUUOEY-CQSZACIVSA-N 0 0 336.395 3.292 10 10 EGCERN CCc1csc([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)n1 ZINC000187093041 455869954 /nfs/dbraw/zinc/86/99/54/455869954.db2.gz ZZGKRQWHRFSVET-LLVKDONJSA-N 0 0 332.425 3.137 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3cn[nH]c3)ccc21 ZINC000270206048 455902353 /nfs/dbraw/zinc/90/23/53/455902353.db2.gz JRKCQUQCPTWVGN-CYBMUJFWSA-N 0 0 340.427 3.119 10 10 EGCERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cn[nH]c1 ZINC000270337431 455931967 /nfs/dbraw/zinc/93/19/67/455931967.db2.gz NCKVKVXLIFLZMF-OAHLLOKOSA-N 0 0 341.459 3.303 10 10 EGCERN COCCN(Cc1ncc(C2CC2)o1)c1ccc(OC)c(OC)c1 ZINC000270490865 455967196 /nfs/dbraw/zinc/96/71/96/455967196.db2.gz GGJCEQJCQOXFGJ-UHFFFAOYSA-N 0 0 332.400 3.222 10 10 EGCERN CO[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000188080387 455992838 /nfs/dbraw/zinc/99/28/38/455992838.db2.gz IUPUEGWFXNMDCQ-HOTGVXAUSA-N 0 0 333.476 3.146 10 10 EGCERN CC1CCN(c2ccc(CNc3nccn(C(F)F)c3=O)cc2)CC1 ZINC000288287458 456091680 /nfs/dbraw/zinc/09/16/80/456091680.db2.gz BMJBWFAAIQOIHX-UHFFFAOYSA-N 0 0 348.397 3.487 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1(C)CCCC1 ZINC000289822407 456145197 /nfs/dbraw/zinc/14/51/97/456145197.db2.gz CDQUSZKJSVPBJK-UHFFFAOYSA-N 0 0 330.472 3.452 10 10 EGCERN CC(C)Cc1nsc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000302237863 456326493 /nfs/dbraw/zinc/32/64/93/456326493.db2.gz LBWLWCLXABWVPX-UHFFFAOYSA-N 0 0 346.500 3.210 10 10 EGCERN COc1cc2c(cc1F)ncnc2N(C)Cc1ccc(N(C)C)cc1 ZINC000302264361 456329469 /nfs/dbraw/zinc/32/94/69/456329469.db2.gz FFGPUVQIWVVUJT-UHFFFAOYSA-N 0 0 340.402 3.480 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCOC1(C)C ZINC000298212874 456394169 /nfs/dbraw/zinc/39/41/69/456394169.db2.gz UUYMGPIADKVMMM-SFHVURJKSA-N 0 0 345.487 3.386 10 10 EGCERN Cn1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(C2CC2)n1 ZINC000291947149 456807527 /nfs/dbraw/zinc/80/75/27/456807527.db2.gz BEZHDXFNFWYKLE-UHFFFAOYSA-N 0 0 339.443 3.219 10 10 EGCERN Cc1cc(C(=O)N2CCC(c3c[nH]cn3)CC2)c(C)n1-c1ccccn1 ZINC000371170397 457815258 /nfs/dbraw/zinc/81/52/58/457815258.db2.gz NXYYOTBLBMVZEH-UHFFFAOYSA-N 0 0 349.438 3.232 10 10 EGCERN CSc1ccc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)cc1 ZINC000426823166 457910099 /nfs/dbraw/zinc/91/00/99/457910099.db2.gz HYGWGKPQHMIIHZ-UHFFFAOYSA-N 0 0 326.425 3.414 10 10 EGCERN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cccc(O)c2O)no1 ZINC000369297532 458163586 /nfs/dbraw/zinc/16/35/86/458163586.db2.gz FYWLXHGIIAQNBN-CYBMUJFWSA-N 0 0 345.399 3.362 10 10 EGCERN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1CCCOCC1 ZINC000373211547 458430676 /nfs/dbraw/zinc/43/06/76/458430676.db2.gz VDARTBJGCPJCHE-CYBMUJFWSA-N 0 0 349.386 3.217 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccnnc3C)ccc21 ZINC000578470310 459205934 /nfs/dbraw/zinc/20/59/34/459205934.db2.gz ZIAYNZODUBGRNP-UHFFFAOYSA-N 0 0 338.411 3.255 10 10 EGCERN CCCCCC[C@H](C)NC(=O)COC(=O)c1ccc(C)c(O)c1O ZINC000727005030 574630665 /nfs/dbraw/zinc/63/06/65/574630665.db2.gz DEHHSDNQGNLIQK-ZDUSSCGKSA-N 0 0 337.416 3.038 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1 ZINC000733332338 575328951 /nfs/dbraw/zinc/32/89/51/575328951.db2.gz STOZGFHATBWKCV-UHFFFAOYSA-N 0 0 342.380 3.109 10 10 EGCERN O=C(CN1CCCc2cc(OCc3ccccc3)ccc21)N1CCC1 ZINC000734487647 575493207 /nfs/dbraw/zinc/49/32/07/575493207.db2.gz XTURYGSYSKMJAP-UHFFFAOYSA-N 0 0 336.435 3.251 10 10 EGCERN COC(=O)/C=C/c1ccc(N(C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000740870877 576632230 /nfs/dbraw/zinc/63/22/30/576632230.db2.gz LASNSSMLOKPEDW-VQHVLOKHSA-N 0 0 336.388 3.032 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2nc(C)ncc2Cl)cc1 ZINC000741905902 576732564 /nfs/dbraw/zinc/73/25/64/576732564.db2.gz GRSOYNBYHAHFQP-UHFFFAOYSA-N 0 0 332.835 3.215 10 10 EGCERN Nc1ccc(Cc2nc(-c3cncc(Br)c3)no2)cc1 ZINC000094822952 1292943365 /nfs/dbraw/zinc/94/33/65/1292943365.db2.gz HAZXDFSFMVORLX-UHFFFAOYSA-N 0 0 331.173 3.067 10 10 EGCERN O=C(/C=C/c1ccncc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000095434336 1292945274 /nfs/dbraw/zinc/94/52/74/1292945274.db2.gz UKKFJUORNIFKEG-DVBCCOPCSA-N 0 0 338.407 3.008 10 10 EGCERN c1csc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000123550548 1293447486 /nfs/dbraw/zinc/44/74/86/1293447486.db2.gz YYPDLQMPIZQIOI-UHFFFAOYSA-N 0 0 342.512 3.456 10 10 EGCERN COC(=O)CC1(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000188917521 1295487979 /nfs/dbraw/zinc/48/79/79/1295487979.db2.gz MJOBGMIDPZUEAD-UHFFFAOYSA-N 0 0 346.471 3.225 10 10 EGCERN CCOc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1OCC ZINC000871197547 1296268912 /nfs/dbraw/zinc/26/89/12/1296268912.db2.gz BVDFBTYCQTXXKO-UHFFFAOYSA-N 0 0 327.380 3.346 10 10 EGCERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871203761 1296271263 /nfs/dbraw/zinc/27/12/63/1296271263.db2.gz GFPIUWCTIHSTDV-HOCLYGCPSA-N 0 0 339.391 3.055 10 10 EGCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)O2 ZINC000886338004 1303440089 /nfs/dbraw/zinc/44/00/89/1303440089.db2.gz FXJRDPQDVRXOFO-XSLLRJJBSA-N 0 0 343.826 3.247 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC=CC[C@H]3C)C2)cc1 ZINC000895435931 1309335093 /nfs/dbraw/zinc/33/50/93/1309335093.db2.gz NPFWJXOTNRHRLT-GPMSIDNRSA-N 0 0 343.471 3.175 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000895485029 1309365013 /nfs/dbraw/zinc/36/50/13/1309365013.db2.gz HDADLGUVYOCTSI-SFHVURJKSA-N 0 0 330.472 3.450 10 10 EGCERN Oc1cccc(Cl)c1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895561978 1309402832 /nfs/dbraw/zinc/40/28/32/1309402832.db2.gz IMRCELCRJVXWAM-UHFFFAOYSA-N 0 0 331.725 3.277 10 10 EGCERN O=C(NCCCOCC(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000895668993 1309457488 /nfs/dbraw/zinc/45/74/88/1309457488.db2.gz VQLHKULDZMYJES-UHFFFAOYSA-N 0 0 349.330 3.011 10 10 EGCERN O=C(C[C@@H]1CCC2(CCC2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000895711680 1309482495 /nfs/dbraw/zinc/48/24/95/1309482495.db2.gz UMSZKCMPOYFWNQ-SFHVURJKSA-N 0 0 328.456 3.395 10 10 EGCERN CN(Cc1ccccc1O)C(=O)C[C@@H]1CCc2sccc2C1=O ZINC000895755166 1309505780 /nfs/dbraw/zinc/50/57/80/1309505780.db2.gz DNUPIVYFMAIBQZ-LBPRGKRZSA-N 0 0 329.421 3.248 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cncc(F)c1Cl ZINC000896690908 1309975988 /nfs/dbraw/zinc/97/59/88/1309975988.db2.gz GNYAGSOOLGCCQN-UHFFFAOYSA-N 0 0 334.778 3.389 10 10 EGCERN COC[C@H]1CCCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897414257 1310328681 /nfs/dbraw/zinc/32/86/81/1310328681.db2.gz VTVUORUZLQJGTP-NSHDSACASA-N 0 0 335.425 3.201 10 10 EGCERN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1[C@H]1CCCO1 ZINC000897791758 1310468929 /nfs/dbraw/zinc/46/89/29/1310468929.db2.gz WHAWXPHMSHMCDJ-CJNGLKHVSA-N 0 0 347.436 3.342 10 10 EGCERN CCOC[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897956953 1310530495 /nfs/dbraw/zinc/53/04/95/1310530495.db2.gz JFWSXKNLPALICR-LBPRGKRZSA-N 0 0 335.425 3.344 10 10 EGCERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000899172148 1310964557 /nfs/dbraw/zinc/96/45/57/1310964557.db2.gz OCZFKTGISRPXLT-PBHICJAKSA-N 0 0 347.436 3.390 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](C(F)F)C1CCCCC1 ZINC000857741670 1328593910 /nfs/dbraw/zinc/59/39/10/1328593910.db2.gz JFDPVOPFSCBEPW-MNDMWVCDSA-N 0 0 325.355 3.441 10 10 EGCERN CN(C)c1cc(F)c(CNCc2c(C3CCC3)cnn2C)cc1F ZINC000858193643 1328708288 /nfs/dbraw/zinc/70/82/88/1328708288.db2.gz YWOXSKJNNCTRTH-UHFFFAOYSA-N 0 0 334.414 3.322 10 10 EGCERN C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858464233 1328768753 /nfs/dbraw/zinc/76/87/53/1328768753.db2.gz KCLMGYDIWRHNHB-XJKSGUPXSA-N 0 0 333.432 3.358 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CSc3ccccc3O2)c1 ZINC000858570481 1328796892 /nfs/dbraw/zinc/79/68/92/1328796892.db2.gz KCDPRAIUYZEDPS-CQSZACIVSA-N 0 0 344.436 3.053 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000916142981 1319608771 /nfs/dbraw/zinc/60/87/71/1319608771.db2.gz OXAHKCFPUUCUGA-QZTJIDSGSA-N 0 0 344.386 3.251 10 10 EGCERN CC(C)c1noc2ncc(C(=O)N(C)Cc3ccccc3O)cc21 ZINC000917310066 1319785851 /nfs/dbraw/zinc/78/58/51/1319785851.db2.gz KPHQEXAQTHGYLN-UHFFFAOYSA-N 0 0 325.368 3.324 10 10 EGCERN O=C(NCc1cnc(Cl)s1)NCc1ccc(N2CC=CC2)cc1 ZINC000919918496 1322117432 /nfs/dbraw/zinc/11/74/32/1322117432.db2.gz NAFCLDNFDICBOO-UHFFFAOYSA-N 0 0 348.859 3.172 10 10 EGCERN Cc1csc([C@@H](NC(=O)NCc2c(O)cccc2F)C2CC2)n1 ZINC000920494037 1322184925 /nfs/dbraw/zinc/18/49/25/1322184925.db2.gz AKZFLMIWVCIKFI-AWEZNQCLSA-N 0 0 335.404 3.247 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCc2ccc3ccccc3n2)cc1 ZINC000921068705 1322251297 /nfs/dbraw/zinc/25/12/97/1322251297.db2.gz AJQYHEFOVYYTFY-UHFFFAOYSA-N 0 0 334.423 3.300 10 10 EGCERN O=C(C1CCCCC1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000921187598 1322270318 /nfs/dbraw/zinc/27/03/18/1322270318.db2.gz MHOLSVQGXWUGHF-UHFFFAOYSA-N 0 0 342.483 3.105 10 10 EGCERN C[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCS1 ZINC000921447604 1322317160 /nfs/dbraw/zinc/31/71/60/1322317160.db2.gz NMOOTRURLVTUHG-GHMZBOCLSA-N 0 0 331.532 3.209 10 10 EGCERN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cn(-c2ccccc2)nn1 ZINC000921848971 1322411840 /nfs/dbraw/zinc/41/18/40/1322411840.db2.gz LEVWSVNGXHWWBR-OAHLLOKOSA-N 0 0 334.423 3.443 10 10 EGCERN C[C@H](NC(=O)N1CCC(O)(C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000922054335 1322445862 /nfs/dbraw/zinc/44/58/62/1322445862.db2.gz ISSOQRJSCWFLNH-HNNXBMFYSA-N 0 0 345.487 3.150 10 10 EGCERN CO[C@@]1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CCSC1 ZINC000922571523 1322560057 /nfs/dbraw/zinc/56/00/57/1322560057.db2.gz CEPXWXWRPYCOIV-CQSZACIVSA-N 0 0 346.290 3.075 10 10 EGCERN C[C@@]1(CCNC(=O)NCc2c(O)cccc2F)CC1(Cl)Cl ZINC000922734249 1322605660 /nfs/dbraw/zinc/60/56/60/1322605660.db2.gz AHZXPCGYPWMFPX-CYBMUJFWSA-N 0 0 335.206 3.305 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H](C2CCOCC2)C1 ZINC000922780838 1322616010 /nfs/dbraw/zinc/61/60/10/1322616010.db2.gz LQTUZKGPSWBYIR-UABRLCRWSA-N 0 0 345.439 3.166 10 10 EGCERN CN(C)c1cc(F)c(CN[C@H]2c3ccccc3CC[C@H]2O)cc1F ZINC000922989323 1322670642 /nfs/dbraw/zinc/67/06/42/1322670642.db2.gz JGZKMSPMMSTWJA-MOPGFXCFSA-N 0 0 332.394 3.169 10 10 EGCERN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc(O)cc(F)c1 ZINC000924711629 1323126956 /nfs/dbraw/zinc/12/69/56/1323126956.db2.gz UEEMTVHQKILBJX-CYBMUJFWSA-N 0 0 348.393 3.358 10 10 EGCERN O=C(NCc1c(O)cccc1F)Nc1ccc([C@H]2CCOC2)cc1 ZINC000931562155 1329144504 /nfs/dbraw/zinc/14/45/04/1329144504.db2.gz BSYZRVDDIDUXAB-ZDUSSCGKSA-N 0 0 330.359 3.357 10 10 EGCERN COc1ccc2c(c1)CC[C@H]2C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000860240714 1329181799 /nfs/dbraw/zinc/18/17/99/1329181799.db2.gz CMMPPFNVOGEFKH-YVEFUNNKSA-N 0 0 341.407 3.317 10 10 EGCERN COc1cccc(CNC(=O)N[C@H](C)c2ccc(F)cc2C)c1O ZINC000926213058 1325473317 /nfs/dbraw/zinc/47/33/17/1325473317.db2.gz GTEDDHFXWFUZDP-GFCCVEGCSA-N 0 0 332.375 3.409 10 10 EGCERN C[C@@H](NC(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926296316 1325506566 /nfs/dbraw/zinc/50/65/66/1325506566.db2.gz WJSFOLTZEJHMPQ-SUNKGSAMSA-N 0 0 346.349 3.252 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000926308625 1325511467 /nfs/dbraw/zinc/51/14/67/1325511467.db2.gz GUPVMRMWMMVXOC-TZMCWYRMSA-N 0 0 346.349 3.034 10 10 EGCERN CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000927130237 1327881927 /nfs/dbraw/zinc/88/19/27/1327881927.db2.gz MGSNUTADSLCGIF-JSGCOSHPSA-N 0 0 344.242 3.207 10 10 EGCERN C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927149209 1327892921 /nfs/dbraw/zinc/89/29/21/1327892921.db2.gz ZWACJXQJQUFITE-IUCAKERBSA-N 0 0 341.242 3.036 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927277328 1327949141 /nfs/dbraw/zinc/94/91/41/1327949141.db2.gz BDWGFSSYPHKSOS-PMUGQKEBSA-N 0 0 345.292 3.004 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCC[C@H]1OCCc2ccccc21 ZINC000927665317 1328096278 /nfs/dbraw/zinc/09/62/78/1328096278.db2.gz NICCBZWLUXNNMW-LJQANCHMSA-N 0 0 340.423 3.238 10 10 EGCERN O=C(NCc1c(O)cccc1F)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000928706820 1328403269 /nfs/dbraw/zinc/40/32/69/1328403269.db2.gz VOJJDZKRCNWMAA-LSDHHAIUSA-N 0 0 331.412 3.294 10 10 EGCERN CC[C@H](C)c1nc(C)c(CC(=O)NCc2c(O)cccc2F)c(C)n1 ZINC000928706843 1328403771 /nfs/dbraw/zinc/40/37/71/1328403771.db2.gz WNVIAMBGSLKZEZ-NSHDSACASA-N 0 0 345.418 3.311 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000928710548 1328405607 /nfs/dbraw/zinc/40/56/07/1328405607.db2.gz UTIULUGBCRRRBV-HNNXBMFYSA-N 0 0 345.370 3.019 10 10 EGCERN Cc1ccc(C)c(C(=O)CCC(=O)NCc2c(O)cccc2F)c1 ZINC000928710443 1328405654 /nfs/dbraw/zinc/40/56/54/1328405654.db2.gz SJJUIYJDZYXWAE-UHFFFAOYSA-N 0 0 329.371 3.427 10 10 EGCERN Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc2cccnc2c1O ZINC000862026972 1329455703 /nfs/dbraw/zinc/45/57/03/1329455703.db2.gz FSRDTSORHGUSOY-UHFFFAOYSA-N 0 0 338.411 3.130 10 10 EGCERN Cc1ncc(C(=O)NCc2ccc3cccnc3c2O)c(C(C)C)n1 ZINC000862028152 1329456164 /nfs/dbraw/zinc/45/61/64/1329456164.db2.gz RMSWNCHODFRFON-UHFFFAOYSA-N 0 0 336.395 3.092 10 10 EGCERN Cc1cc(CNC(=O)CCc2ccnn2C)c(C)n1-c1ccccc1 ZINC000863164967 1329531651 /nfs/dbraw/zinc/53/16/51/1329531651.db2.gz XXTIBXGITIBRHZ-UHFFFAOYSA-N 0 0 336.439 3.077 10 10 EGCERN Cn1cc(/C=C2/c3cccc4c3N(CCC4)C2=O)c(Br)n1 ZINC000863193808 1329532909 /nfs/dbraw/zinc/53/29/09/1329532909.db2.gz WHKGRCCZMDKANT-JYRVWZFOSA-N 0 0 344.212 3.016 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000863219788 1329535721 /nfs/dbraw/zinc/53/57/21/1329535721.db2.gz RLJAYLVUSUNFLF-GHTZIAJQSA-N 0 0 338.451 3.329 10 10 EGCERN CCOC1CC2(C[C@@H]2C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000865027191 1329662767 /nfs/dbraw/zinc/66/27/67/1329662767.db2.gz IYJXFHYWRXTDNO-QPIRBTGLSA-N 0 0 330.472 3.306 10 10 EGCERN Cc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)on1 ZINC000865418011 1329694332 /nfs/dbraw/zinc/69/43/32/1329694332.db2.gz GFOILAYIMXDYNB-KBPBESRZSA-N 0 0 333.407 3.026 10 10 EGCERN CC1(c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)OCCO1 ZINC000865670151 1329727522 /nfs/dbraw/zinc/72/75/22/1329727522.db2.gz RCTVQMSKMWBTAA-UHFFFAOYSA-N 0 0 325.408 3.131 10 10 EGCERN COc1ccc(N2CCN(c3nnc(C(C)C)s3)CC2)c(OC)c1 ZINC000866138952 1330069686 /nfs/dbraw/zinc/06/96/86/1330069686.db2.gz ORAYHLZBHKUFMT-UHFFFAOYSA-N 0 0 348.472 3.005 10 10 EGCERN CC[C@H](NCc1nnc(C2CCOCC2)[nH]1)c1ccc(N(C)C)cc1 ZINC000866441550 1330112763 /nfs/dbraw/zinc/11/27/63/1330112763.db2.gz MRYNIVGOCOOKER-KRWDZBQOSA-N 0 0 343.475 3.006 10 10 EGCERN CC[C@@H](NCc1nnc(C2CCOCC2)[nH]1)c1ccc(N(C)C)cc1 ZINC000866441551 1330112859 /nfs/dbraw/zinc/11/28/59/1330112859.db2.gz MRYNIVGOCOOKER-QGZVFWFLSA-N 0 0 343.475 3.006 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@]34C[C@@H]3CCCC4)CC2)cc1F ZINC000866459690 1330114937 /nfs/dbraw/zinc/11/49/37/1330114937.db2.gz NEACFFHGSFWTNW-LIRRHRJNSA-N 0 0 332.419 3.063 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2C(=O)CC3)c1 ZINC000866765609 1330147845 /nfs/dbraw/zinc/14/78/45/1330147845.db2.gz XJRVNVRUDPMULB-LLVKDONJSA-N 0 0 325.364 3.021 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CCc2ccccc2OC1)c1ccccc1O ZINC000868584615 1330297022 /nfs/dbraw/zinc/29/70/22/1330297022.db2.gz DCEZDCFPTHQWEJ-DZGCQCFKSA-N 0 0 326.396 3.146 10 10 EGCERN O=C(CC(F)(F)C(F)(F)F)NCc1ccc2cccnc2c1O ZINC000868937907 1330378285 /nfs/dbraw/zinc/37/82/85/1330378285.db2.gz OOILPMLOCZNKIU-UHFFFAOYSA-N 0 0 334.244 3.144 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[C@H](OC)C2)cc1 ZINC001324447514 1387624806 /nfs/dbraw/zinc/62/48/06/1387624806.db2.gz LQNNBZMNDZIRNX-WMZOPIPTSA-N 0 0 333.476 3.242 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCn2ccnc21 ZINC001324569637 1387677960 /nfs/dbraw/zinc/67/79/60/1387677960.db2.gz OSUWRUJUIQVFBZ-KRWDZBQOSA-N 0 0 334.423 3.474 10 10 EGCERN CC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H](O)C(F)F ZINC001324779117 1387769705 /nfs/dbraw/zinc/76/97/05/1387769705.db2.gz WBLSEDQLWWBTAO-JKSUJKDBSA-N 0 0 336.382 3.229 10 10 EGCERN CCN(CC(=O)NCc1ccc(N(C)C)cc1)c1cccc(C)c1F ZINC001197157140 1368757087 /nfs/dbraw/zinc/75/70/87/1368757087.db2.gz QYFLVJVQLXLPEX-UHFFFAOYSA-N 0 0 343.446 3.343 10 10 EGCERN Cc1cc(C(=O)N2C[C@H](O)C3(CC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001325904668 1388077816 /nfs/dbraw/zinc/07/78/16/1388077816.db2.gz VQZPSFPYQVZNGV-IBGZPJMESA-N 0 0 338.451 3.308 10 10 EGCERN COc1ccc(N(C)CC[N@H+](C)Cc2c(C3CCC3)cnn2C)cc1 ZINC001118577046 1371201553 /nfs/dbraw/zinc/20/15/53/1371201553.db2.gz HNPYOXCFAKVTBJ-UHFFFAOYSA-N 0 0 342.487 3.264 10 10 EGCERN C[C@H](NC(=O)N1CC[C@@H]1[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC001123548538 1372503959 /nfs/dbraw/zinc/50/39/59/1372503959.db2.gz ASKRMJNJXWLSMB-YXJHDRRASA-N 0 0 331.460 3.024 10 10 EGCERN Cc1cc(CNC(=O)c2cccn(C)c2=O)c(C)n1-c1cccc(C)c1 ZINC001132264255 1375254803 /nfs/dbraw/zinc/25/48/03/1375254803.db2.gz NMJHCBPYORFVPR-UHFFFAOYSA-N 0 0 349.434 3.031 10 10 EGCERN Cc1cc(CNC(=O)c2ncc(Cl)cn2)c(C)n1-c1ccccc1 ZINC001132267348 1375255483 /nfs/dbraw/zinc/25/54/83/1375255483.db2.gz GDBWWLZAPUCHSS-UHFFFAOYSA-N 0 0 340.814 3.468 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCC[C@H]2C)cc1 ZINC001227067489 1375383716 /nfs/dbraw/zinc/38/37/16/1375383716.db2.gz JYMUYEHLRIEEBS-CVEARBPZSA-N 0 0 333.476 3.209 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[C@@H]1CCCOC1 ZINC001233593640 1376678169 /nfs/dbraw/zinc/67/81/69/1376678169.db2.gz DTPYXYNUDPGOMX-SFHVURJKSA-N 0 0 345.487 3.245 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccccn1 ZINC001135575031 1377153131 /nfs/dbraw/zinc/15/31/31/1377153131.db2.gz YBTFLSFZBQVJSQ-UHFFFAOYSA-N 0 0 333.391 3.232 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCC(=O)C1CC1 ZINC001136025436 1377303020 /nfs/dbraw/zinc/30/30/20/1377303020.db2.gz KIJDXOZXCZSCDY-UHFFFAOYSA-N 0 0 328.456 3.395 10 10 EGCERN CCOc1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136356187 1377382479 /nfs/dbraw/zinc/38/24/79/1377382479.db2.gz QULIQOFVGTYQBL-UHFFFAOYSA-N 0 0 326.356 3.178 10 10 EGCERN Cc1cc(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)no1 ZINC001136373124 1377384740 /nfs/dbraw/zinc/38/47/40/1377384740.db2.gz XCJXOWIXDUSSLJ-UHFFFAOYSA-N 0 0 337.379 3.133 10 10 EGCERN COC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC001137345660 1377527604 /nfs/dbraw/zinc/52/76/04/1377527604.db2.gz RGDYDHFRQRKGSA-UHFFFAOYSA-N 0 0 348.786 3.496 10 10 EGCERN Cc1cc(C(=O)NC[C@@H](O)C(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001137356109 1377532043 /nfs/dbraw/zinc/53/20/43/1377532043.db2.gz WYJKSWKLGQSVAP-LJQANCHMSA-N 0 0 328.456 3.458 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(O)c(Cl)c2)c1 ZINC001137473290 1377554121 /nfs/dbraw/zinc/55/41/21/1377554121.db2.gz FBOADEMTKIPPJN-JTQLQIEISA-N 0 0 335.787 3.180 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCC(=O)C(C)(C)C ZINC001140198497 1378030561 /nfs/dbraw/zinc/03/05/61/1378030561.db2.gz FWRQDSLRZBFYOC-UHFFFAOYSA-N 0 0 326.433 3.280 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cccc(OC)c1 ZINC001140198370 1378030593 /nfs/dbraw/zinc/03/05/93/1378030593.db2.gz AYTFMTRWJDNOAG-UHFFFAOYSA-N 0 0 334.412 3.136 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001141313692 1378299183 /nfs/dbraw/zinc/29/91/83/1378299183.db2.gz JCNXXXXPEPCJDC-GJZGRUSLSA-N 0 0 347.459 3.024 10 10 EGCERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1ccc(O)c(O)c1 ZINC001141728939 1378366671 /nfs/dbraw/zinc/36/66/71/1378366671.db2.gz KFQRHCUSTFBJRX-CQSZACIVSA-N 0 0 329.396 3.372 10 10 EGCERN CNc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC001141980396 1378400615 /nfs/dbraw/zinc/40/06/15/1378400615.db2.gz RZMUOLWXQDVJJM-UHFFFAOYSA-N 0 0 326.444 3.240 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3cc(Cl)ccc3N)ccc21 ZINC001142465360 1378445406 /nfs/dbraw/zinc/44/54/06/1378445406.db2.gz HVDHKKQKYGOMEW-UHFFFAOYSA-N 0 0 329.831 3.235 10 10 EGCERN CN(C)c1ccc(CNC(=O)C(C)(C)c2cccc(O)c2)cc1F ZINC001142566005 1378460179 /nfs/dbraw/zinc/46/01/79/1378460179.db2.gz SFVQFNXBLGFWJE-UHFFFAOYSA-N 0 0 330.403 3.191 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(c1)CCCC2=O ZINC001142731404 1378482799 /nfs/dbraw/zinc/48/27/99/1378482799.db2.gz YBRAWFHISCUTTA-UHFFFAOYSA-N 0 0 346.386 3.389 10 10 EGCERN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001147218292 1378989366 /nfs/dbraw/zinc/98/93/66/1378989366.db2.gz OGWKOSGKEZULDJ-BBATYDOGSA-N 0 0 349.814 3.186 10 10 EGCERN C[C@@H](NC(=O)Cc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC001151892203 1379811840 /nfs/dbraw/zinc/81/18/40/1379811840.db2.gz LFRJPOPGOPSQSX-MRVPVSSYSA-N 0 0 330.331 3.287 10 10 EGCERN O=C([C@H]1CC[C@@H](Nc2ccccn2)CC1)N1Cc2cccc(O)c2C1 ZINC001152574279 1379950834 /nfs/dbraw/zinc/95/08/34/1379950834.db2.gz SGFPMIMWTAJEEN-FZNQNYSPSA-N 0 0 337.423 3.300 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1ccc(Cl)c2cccnc12 ZINC001153879716 1380148186 /nfs/dbraw/zinc/14/81/86/1380148186.db2.gz VXFPLMICINQAPV-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN COC1CC(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001287660353 1381318787 /nfs/dbraw/zinc/31/87/87/1381318787.db2.gz IITGURJYFWEJIV-UHFFFAOYSA-N 0 0 326.440 3.444 10 10 EGCERN Cc1cc(CNC(=O)[C@@]2(C)CC(C)=NO2)c(C)n1-c1ccccc1 ZINC001287661897 1381321117 /nfs/dbraw/zinc/32/11/17/1381321117.db2.gz VNZNPTUBPPKVOT-LJQANCHMSA-N 0 0 325.412 3.265 10 10 EGCERN Cc1[nH]c(C=O)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001290740471 1382107023 /nfs/dbraw/zinc/10/70/23/1382107023.db2.gz XEOWBOHUIYBXFC-UHFFFAOYSA-N 0 0 325.412 3.006 10 10 EGCERN O=C(NC[C@@H]1Cc2ccccc21)c1cc2cc(O)c(O)cc2s1 ZINC001291770691 1382152359 /nfs/dbraw/zinc/15/23/59/1382152359.db2.gz XBBIDECEAIKLIJ-LBPRGKRZSA-N 0 0 325.389 3.382 10 10 EGCERN Cc1ccc(C2=CCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC001160665525 1382165107 /nfs/dbraw/zinc/16/51/07/1382165107.db2.gz YPVJEDWCIOIVBH-UHFFFAOYSA-N 0 0 327.355 3.475 10 10 EGCERN CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)ccc21 ZINC001328541874 1388771959 /nfs/dbraw/zinc/77/19/59/1388771959.db2.gz JSTNNAXYSVOZMI-OWCLPIDISA-N 0 0 334.410 3.367 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC(Cc2c(F)cccc2F)C1 ZINC001294169761 1382424083 /nfs/dbraw/zinc/42/40/83/1382424083.db2.gz DHPKXGLYDSLTTM-ALCCZGGFSA-N 0 0 345.345 3.090 10 10 EGCERN C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001294542957 1382469670 /nfs/dbraw/zinc/46/96/70/1382469670.db2.gz RTLLZZDMSPTFJB-NOZJJQNGSA-N 0 0 347.392 3.148 10 10 EGCERN Cn1c(C(=O)NCc2ccc(O)cc2O)ccc1-c1ccc(F)cc1 ZINC001162278996 1382718863 /nfs/dbraw/zinc/71/88/63/1382718863.db2.gz PZIUPBZOYKDHGN-UHFFFAOYSA-N 0 0 340.354 3.172 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccnn1-c1ccccc1 ZINC001162612920 1382809327 /nfs/dbraw/zinc/80/93/27/1382809327.db2.gz SCYHQYZCPFYRAQ-UHFFFAOYSA-N 0 0 344.374 3.056 10 10 EGCERN COc1ccc(CNC(=O)c2c(OC)cccc2C(F)F)c(O)c1 ZINC001296967333 1383101439 /nfs/dbraw/zinc/10/14/39/1383101439.db2.gz AJZCOWKQUIILLN-UHFFFAOYSA-N 0 0 337.322 3.277 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCOc3cccc(F)c3C2)cc1 ZINC001296968709 1383101504 /nfs/dbraw/zinc/10/15/04/1383101504.db2.gz YBTLHAGIOJTJCO-UHFFFAOYSA-N 0 0 342.330 3.023 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2cc3c(s2)CCC3)cc1 ZINC001164597977 1383204965 /nfs/dbraw/zinc/20/49/65/1383204965.db2.gz XOXMFDJSWOBHOA-UHFFFAOYSA-N 0 0 344.480 3.454 10 10 EGCERN CCCOc1cccnc1C(=O)NCc1ccc2cccnc2c1O ZINC001299721908 1383622651 /nfs/dbraw/zinc/62/26/51/1383622651.db2.gz VJBRAICZTMDQFK-UHFFFAOYSA-N 0 0 337.379 3.054 10 10 EGCERN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)cc(NC2CC2)n1 ZINC001300396438 1383662295 /nfs/dbraw/zinc/66/22/95/1383662295.db2.gz TUXCTUIJHDWBQM-UHFFFAOYSA-N 0 0 331.803 3.253 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccnc(-c3ccccc3)c2N)c1 ZINC001301046813 1383692220 /nfs/dbraw/zinc/69/22/20/1383692220.db2.gz LUTZFPCQUDSKMV-UHFFFAOYSA-N 0 0 333.391 3.275 10 10 EGCERN COCCCCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001301571476 1383720836 /nfs/dbraw/zinc/72/08/36/1383720836.db2.gz ZUCTXPNLQDRWCM-UHFFFAOYSA-N 0 0 344.459 3.314 10 10 EGCERN CON(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001302349829 1383749459 /nfs/dbraw/zinc/74/94/59/1383749459.db2.gz YGQOQPPMHMOURJ-UHFFFAOYSA-N 0 0 349.454 3.118 10 10 EGCERN Cc1c(Br)cncc1C(=O)N[C@H](C)c1ccccc1O ZINC001302532900 1383756830 /nfs/dbraw/zinc/75/68/30/1383756830.db2.gz TZEMGLMYUPYDRK-SNVBAGLBSA-N 0 0 335.201 3.349 10 10 EGCERN Cc1oc(-c2ccccc2F)nc1C(=O)NCc1cc(O)ccc1O ZINC001303223377 1383788014 /nfs/dbraw/zinc/78/80/14/1383788014.db2.gz MYYZRSNCOQHUHL-UHFFFAOYSA-N 0 0 342.326 3.130 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccc(OC(F)(F)Cl)cc1 ZINC001304053484 1383825194 /nfs/dbraw/zinc/82/51/94/1383825194.db2.gz LZPVTNWWQXDZRC-UHFFFAOYSA-N 0 0 343.713 3.196 10 10 EGCERN O=C(Cc1ccc(Cl)cn1)NCc1c(O)ccc2ccccc21 ZINC001304090847 1383828817 /nfs/dbraw/zinc/82/88/17/1383828817.db2.gz RHMXOKOTTRBHRM-UHFFFAOYSA-N 0 0 326.783 3.453 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1ccn(CC(F)(F)F)n1 ZINC001304090658 1383828867 /nfs/dbraw/zinc/82/88/67/1383828867.db2.gz MRERRIKSHVTVLE-UHFFFAOYSA-N 0 0 349.312 3.234 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1C=C[C@H](CO)C1 ZINC001306985437 1383929737 /nfs/dbraw/zinc/92/97/37/1383929737.db2.gz AIKQOTCJNQTXRF-DZGCQCFKSA-N 0 0 338.363 3.175 10 10 EGCERN COC(=O)COc1ccc(N(C)CCCc2cccc(F)c2)cc1 ZINC001307671114 1384010626 /nfs/dbraw/zinc/01/06/26/1384010626.db2.gz ARHYPWNXYFJCRG-UHFFFAOYSA-N 0 0 331.387 3.447 10 10 EGCERN Cc1cc(CNC(=O)N[C@H](C)C[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC001313132080 1384398817 /nfs/dbraw/zinc/39/88/17/1384398817.db2.gz LPPSFXFESMLOCD-GDBMZVCRSA-N 0 0 343.471 3.361 10 10 EGCERN CCc1c(C(=O)NCc2cc(O)ccc2O)cnn1C(CC)CC ZINC001176756107 1385684598 /nfs/dbraw/zinc/68/45/98/1385684598.db2.gz XFBNTVNDTNAQGK-UHFFFAOYSA-N 0 0 331.416 3.148 10 10 EGCERN CC(C)(C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)cc1F ZINC001176754758 1385685098 /nfs/dbraw/zinc/68/50/98/1385685098.db2.gz GRQKWJAYWJXFJW-UHFFFAOYSA-N 0 0 337.778 3.484 10 10 EGCERN O=Cc1cc(F)c(C(=O)NCc2cccc(Cl)c2O)cc1F ZINC001180420265 1386791317 /nfs/dbraw/zinc/79/13/17/1386791317.db2.gz KKLVHNGRJBJEJV-UHFFFAOYSA-N 0 0 325.698 3.066 10 10 EGCERN CCN(C)c1ccc(CN[C@H](C)c2nnc3n2CCCCC3)cc1 ZINC001330558766 1389454413 /nfs/dbraw/zinc/45/44/13/1389454413.db2.gz IWYVMPJDCSMMEQ-OAHLLOKOSA-N 0 0 327.476 3.311 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@H]3CCCC34CC4)CC2)cc1 ZINC001331503002 1389773207 /nfs/dbraw/zinc/77/32/07/1389773207.db2.gz GSKWXPPIIISDDV-GOSISDBHSA-N 0 0 328.456 3.314 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3c(C)cccc3F)CC2)cc1F ZINC001340221487 1390253002 /nfs/dbraw/zinc/25/30/02/1390253002.db2.gz DVSBGFAYCAJWGH-UHFFFAOYSA-N 0 0 346.377 3.244 10 10 EGCERN O=C(NCc1cccc(O)c1O)[C@@H](c1ccncc1)C1CCCC1 ZINC001347542309 1391090188 /nfs/dbraw/zinc/09/01/88/1391090188.db2.gz LBKQPXZHWVGDTA-QGZVFWFLSA-N 0 0 326.396 3.083 10 10 EGCERN O=C(NCC[C@@H]1CC=CCC1)NCc1ccc(N2CCOCC2)cc1 ZINC001348099390 1391172951 /nfs/dbraw/zinc/17/29/51/1391172951.db2.gz DUDQDRPZGWCPFD-QGZVFWFLSA-N 0 0 343.471 3.069 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ncc(C(F)(F)F)s2)c1 ZINC001349329205 1391321593 /nfs/dbraw/zinc/32/15/93/1391321593.db2.gz GJLKSZHUNVDFRS-SSDOTTSWSA-N 0 0 346.330 3.367 10 10 EGCERN CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](CCC(=O)[O-])C(F)(F)F)cc1 ZINC001350654529 1391499618 /nfs/dbraw/zinc/49/96/18/1391499618.db2.gz ZXTJOEZCLNOLKA-RDFMZFSFSA-N 0 0 344.377 3.399 10 10 EGCERN CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](CCC(=O)[O-])C(F)(F)F)cc1 ZINC001350654531 1391499738 /nfs/dbraw/zinc/49/97/38/1391499738.db2.gz ZXTJOEZCLNOLKA-VQTKUKTRSA-N 0 0 344.377 3.399 10 10 EGCERN Cc1cnc(F)cc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351674165 1391668596 /nfs/dbraw/zinc/66/85/96/1391668596.db2.gz RDOJTRZIIKAALG-UHFFFAOYSA-N 0 0 327.403 3.402 10 10 EGCERN Cn1cnc(/C=C\C(=O)N2CCCc3cc(Br)ccc32)c1 ZINC001355053928 1392189718 /nfs/dbraw/zinc/18/97/18/1392189718.db2.gz QHZIFZUZAHDSJL-ALCCZGGFSA-N 0 0 346.228 3.175 10 10 EGCERN C=C(C)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1O ZINC001705726324 1417133053 /nfs/dbraw/zinc/13/30/53/1417133053.db2.gz FUHTWFUOODPBKE-UHFFFAOYSA-N 0 0 349.438 3.182 10 10 EGCERN CCc1nnc(N2CCC[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709119981 1417425892 /nfs/dbraw/zinc/42/58/92/1417425892.db2.gz CUZRVQYDQKZVJZ-CYBMUJFWSA-N 0 0 331.439 3.083 10 10 EGCERN C[C@@H]1C[C@@H]1n1c(-c2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001762767803 1441378172 /nfs/dbraw/zinc/37/81/72/1441378172.db2.gz JITNURWPIPSXBC-CJNGLKHVSA-N 0 0 335.411 3.263 10 10 EGCERN CCN(C)c1nnc(CC2CC2)n1CCCSc1nccs1 ZINC001766404264 1441401666 /nfs/dbraw/zinc/40/16/66/1441401666.db2.gz ICHLKBVLIWXEGU-UHFFFAOYSA-N 0 0 337.518 3.326 10 10 EGCERN COC(C)(C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001769508465 1441409934 /nfs/dbraw/zinc/40/99/34/1441409934.db2.gz BSRSUHLOXDMJAU-UHFFFAOYSA-N 0 0 332.448 3.169 10 10 EGCERN CS[C@@H](C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001771387839 1441414661 /nfs/dbraw/zinc/41/46/61/1441414661.db2.gz DYGBDAJGXUFWMY-LBPRGKRZSA-N 0 0 332.473 3.249 10 10 EGCERN COC(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CCCC3 ZINC000015670969 201960566 /nfs/dbraw/zinc/96/05/66/201960566.db2.gz CGXSSQLRRKYVBR-UHFFFAOYSA-N 0 0 331.441 3.144 10 10 EGCERN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1nc2ccccc2[nH]1 ZINC000016904727 201982177 /nfs/dbraw/zinc/98/21/77/201982177.db2.gz LVOOTNCPHWBPGR-ZROIWOOFSA-N 0 0 336.376 3.351 10 10 EGCERN CSc1nc(C)c(CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000022889652 202094152 /nfs/dbraw/zinc/09/41/52/202094152.db2.gz RVCVDKOZYPARRX-UHFFFAOYSA-N 0 0 335.498 3.098 10 10 EGCERN Cc1cc(/C=C2\SC(=S)N(CC[NH+](C)C)C2=O)c(C)n1C1CC1 ZINC000014184677 201366077 /nfs/dbraw/zinc/36/60/77/201366077.db2.gz JTBZCUNNMPFQMU-GDNBJRDFSA-N 0 0 349.525 3.203 10 10 EGCERN C[C@H]1SC(=S)N(c2ccc(I)cc2)C1=O ZINC000003615969 201360896 /nfs/dbraw/zinc/36/08/96/201360896.db2.gz DADXDQGOZNXDAW-ZCFIWIBFSA-N 0 0 349.218 3.044 10 10 EGCERN CCCN1C(=O)/C(=C/c2ccc(-n3ccnc3)cc2)SC1=S ZINC000096935943 201377800 /nfs/dbraw/zinc/37/78/00/201377800.db2.gz DHSSUNSPNQJXRT-UVTDQMKNSA-N 0 0 329.450 3.484 10 10 EGCERN CN(C)c1ccc(Cc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000005318170 201646414 /nfs/dbraw/zinc/64/64/14/201646414.db2.gz MQXGBQVYQQCHSM-UHFFFAOYSA-N 0 0 344.371 3.226 10 10 EGCERN CC1(C)OC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C(=O)O1 ZINC000005727790 201661365 /nfs/dbraw/zinc/66/13/65/201661365.db2.gz PANXOANKSQXJLI-UHFFFAOYSA-N 0 0 338.359 3.485 10 10 EGCERN Nc1ccc(/N=N\c2ccc(S(N)(=O)=O)cc2)c2ccccc12 ZINC000100404623 203994328 /nfs/dbraw/zinc/99/43/28/203994328.db2.gz WMEUHDPAOLMAES-VXPUYCOJSA-N 0 0 326.381 3.485 10 10 EGCERN COc1cccc(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1O ZINC000528861759 313195069 /nfs/dbraw/zinc/19/50/69/313195069.db2.gz PHHWPQTZNVYJJI-XOKHGSTOSA-N 0 0 343.810 3.256 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC=C(c2cccs2)CC1 ZINC000180792392 455245881 /nfs/dbraw/zinc/24/58/81/455245881.db2.gz VBKUBQDTGRGPFK-GQCTYLIASA-N 0 0 327.405 3.488 10 10 EGCERN Cc1ccn(-c2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000180863210 455257320 /nfs/dbraw/zinc/25/73/20/455257320.db2.gz YKIHQRQYSAVOBY-VQHVLOKHSA-N 0 0 335.363 3.244 10 10 EGCERN Cc1[nH]nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000265316186 455304455 /nfs/dbraw/zinc/30/44/55/455304455.db2.gz PSWHOTUMXLKBEE-UHFFFAOYSA-N 0 0 326.444 3.193 10 10 EGCERN Cc1ccc2c(c1)CCCN2Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000012597518 453380799 /nfs/dbraw/zinc/38/07/99/453380799.db2.gz HPQCJNDLBGQICY-UHFFFAOYSA-N 0 0 337.375 3.465 10 10 EGCERN CC1=NNC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000013122249 453447903 /nfs/dbraw/zinc/44/79/03/453447903.db2.gz DXXTUWLUMLDCIK-XNTDXEJSSA-N 0 0 334.404 3.490 10 10 EGCERN COc1ccc(N2CCC(N(C)C(=O)c3cccnc3C)CC2)cc1 ZINC000095394045 454202104 /nfs/dbraw/zinc/20/21/04/454202104.db2.gz MEQLSSJOCFQCBU-UHFFFAOYSA-N 0 0 339.439 3.140 10 10 EGCERN COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000073585375 454454015 /nfs/dbraw/zinc/45/40/15/454454015.db2.gz SKDITLUDNVSZFJ-NEPJUHHUSA-N 0 0 346.349 3.321 10 10 EGCERN COC(=O)C1=CN(c2cc(C)ccc2C)c2ccccc2S1(=O)=O ZINC000064979129 454521732 /nfs/dbraw/zinc/52/17/32/454521732.db2.gz JYXBJGCZSOQFLO-UHFFFAOYSA-N 0 0 343.404 3.243 10 10 EGCERN CCOc1cccc(CN2CCO[C@H](c3nc(C)cs3)C2)c1O ZINC000092789984 454633983 /nfs/dbraw/zinc/63/39/83/454633983.db2.gz IKNGSFHPUYGFOG-HNNXBMFYSA-N 0 0 334.441 3.129 10 10 EGCERN CCOc1ccc(O)c(CN2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000093458021 454716955 /nfs/dbraw/zinc/71/69/55/454716955.db2.gz PJPBGVZGTQDMBN-LJQANCHMSA-N 0 0 329.396 3.070 10 10 EGCERN O=C(NCCCc1ccccn1)NCc1c(O)ccc2c1CCCC2 ZINC000178417115 454954382 /nfs/dbraw/zinc/95/43/82/454954382.db2.gz RKQVFTCERIGYEK-UHFFFAOYSA-N 0 0 339.439 3.098 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCOC3)c2C)cc1 ZINC000170936153 455002027 /nfs/dbraw/zinc/00/20/27/455002027.db2.gz MBOHUMAOCLOZPD-HNNXBMFYSA-N 0 0 328.412 3.012 10 10 EGCERN COc1ccc(N2CCCN(Cc3cn4ccsc4n3)CC2)cc1 ZINC000171078941 455026977 /nfs/dbraw/zinc/02/69/77/455026977.db2.gz KLCBTAJQNJXGAB-UHFFFAOYSA-N 0 0 342.468 3.117 10 10 EGCERN COc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1F ZINC000179555235 455057634 /nfs/dbraw/zinc/05/76/34/455057634.db2.gz QKDADINMGSAOHZ-UHFFFAOYSA-N 0 0 328.387 3.365 10 10 EGCERN O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000264083677 455190692 /nfs/dbraw/zinc/19/06/92/455190692.db2.gz VARNWTITTZFOBO-LBPRGKRZSA-N 0 0 349.774 3.222 10 10 EGCERN Cc1ccc(C)c([C@H]2CN(C(=O)Cc3ccc(N)cc3)[C@@H](C)CO2)c1 ZINC000237698823 455209171 /nfs/dbraw/zinc/20/91/71/455209171.db2.gz LSTNXZHWDFTGCL-OXJNMPFZSA-N 0 0 338.451 3.417 10 10 EGCERN Cn1ccnc1-c1noc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000181528355 455349948 /nfs/dbraw/zinc/34/99/48/455349948.db2.gz ZUJGNKMHKYSNBS-UHFFFAOYSA-N 0 0 338.415 3.073 10 10 EGCERN CC(C)C[C@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000184810666 455452519 /nfs/dbraw/zinc/45/25/19/455452519.db2.gz WWVITJGUJQIJFI-INIZCTEOSA-N 0 0 332.488 3.194 10 10 EGCERN COCCc1noc(CNc2ccccc2C(=O)c2ccccc2)n1 ZINC000192589533 455647466 /nfs/dbraw/zinc/64/74/66/455647466.db2.gz UCMJXUAUEDAOPT-UHFFFAOYSA-N 0 0 337.379 3.102 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3occc3C(C)C)CC2)cc1 ZINC000284240035 455655185 /nfs/dbraw/zinc/65/51/85/455655185.db2.gz HKEFRGAULLQTKU-UHFFFAOYSA-N 0 0 328.412 3.374 10 10 EGCERN O=C1CCCN1c1ccc(NCc2cc(Cl)c(F)cc2O)nc1 ZINC000293605062 455792158 /nfs/dbraw/zinc/79/21/58/455792158.db2.gz LKDIYHVPNOLKKE-UHFFFAOYSA-N 0 0 335.766 3.319 10 10 EGCERN O=C1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCN1Cc1ccccc1 ZINC000293830244 455798074 /nfs/dbraw/zinc/79/80/74/455798074.db2.gz DSOJDIPQONUJAB-INIZCTEOSA-N 0 0 348.805 3.075 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Nc1cncc(C(=O)OC)c1 ZINC000269159944 455801309 /nfs/dbraw/zinc/80/13/09/455801309.db2.gz SLNCFTLZIPOGRY-UHFFFAOYSA-N 0 0 343.383 3.018 10 10 EGCERN Cc1ccc([C@H](C)Nc2cccc3c2CCN3S(C)(=O)=O)c(O)c1 ZINC000186666599 455815108 /nfs/dbraw/zinc/81/51/08/455815108.db2.gz RRMHRFBTPZGMNB-ZDUSSCGKSA-N 0 0 346.452 3.196 10 10 EGCERN CC1(CCCC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)OCCO1 ZINC000278567835 455839823 /nfs/dbraw/zinc/83/98/23/455839823.db2.gz IYAMLOUJNSAXSU-GOSISDBHSA-N 0 0 349.471 3.307 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3cn[nH]c3)ccc21 ZINC000270206049 455902218 /nfs/dbraw/zinc/90/22/18/455902218.db2.gz JRKCQUQCPTWVGN-ZDUSSCGKSA-N 0 0 340.427 3.119 10 10 EGCERN COc1cccc(C[NH2+]CC2CCN(c3ccccc3)CC2)c1O ZINC000280608541 456012185 /nfs/dbraw/zinc/01/21/85/456012185.db2.gz OPYVDCVUDNSJRR-UHFFFAOYSA-N 0 0 326.440 3.407 10 10 EGCERN CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000289585053 456131142 /nfs/dbraw/zinc/13/11/42/456131142.db2.gz AQZYSTAJZBQGJN-UONOGXRCSA-N 0 0 332.448 3.474 10 10 EGCERN CCn1ccnc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298023818 456345628 /nfs/dbraw/zinc/34/56/28/456345628.db2.gz GAFDHALLSBTGMY-UHFFFAOYSA-N 0 0 343.475 3.089 10 10 EGCERN CCOCc1nc([C@@H](C)NCc2cc(Cl)cc(C)c2O)no1 ZINC000290903269 456462825 /nfs/dbraw/zinc/46/28/25/456462825.db2.gz MGPYCNMUFBMNFX-SNVBAGLBSA-N 0 0 325.796 3.124 10 10 EGCERN COc1cccc(CNC(=O)NCc2ccc(C3CC3)cc2F)c1O ZINC000291792490 456758988 /nfs/dbraw/zinc/75/89/88/456758988.db2.gz WILYUKRIYAPVCH-UHFFFAOYSA-N 0 0 344.386 3.417 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000283565133 456804050 /nfs/dbraw/zinc/80/40/50/456804050.db2.gz INAIGFVUURRANI-AWEZNQCLSA-N 0 0 344.459 3.367 10 10 EGCERN CC1CCC(OC2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000364827457 457700501 /nfs/dbraw/zinc/70/05/01/457700501.db2.gz AFNJTRQHNFQWEI-UHFFFAOYSA-N 0 0 333.428 3.298 10 10 EGCERN COc1c([O-])c(C[NH2+][C@@H]2CCOc3c(C)cccc32)ccc1[N+](=O)[O-] ZINC000365824195 457778446 /nfs/dbraw/zinc/77/84/46/457778446.db2.gz YVIXESVHMOTAIR-CQSZACIVSA-N 0 0 344.367 3.231 10 10 EGCERN COc1ccc(NC(=O)[C@H]2CCCN2Cc2cc(F)ccc2O)cc1 ZINC000371532881 457977948 /nfs/dbraw/zinc/97/79/48/457977948.db2.gz BPBWKQZADZDADJ-QGZVFWFLSA-N 0 0 344.386 3.143 10 10 EGCERN COc1ccc(CNC(=O)N[C@@H]2CCCc3nc(C)sc32)c(O)c1 ZINC000373399073 458481791 /nfs/dbraw/zinc/48/17/91/458481791.db2.gz JIWCXSMRWCJJSP-CQSZACIVSA-N 0 0 347.440 3.043 10 10 EGCERN COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000728978683 574790799 /nfs/dbraw/zinc/79/07/99/574790799.db2.gz SQYJOJQJELTQSU-CHWSQXEVSA-N 0 0 345.395 3.054 10 10 EGCERN COc1ccc(N2CCCN(C(=O)C[C@H](C)n3cccc3)CC2)cc1 ZINC000729523381 574868813 /nfs/dbraw/zinc/86/88/13/574868813.db2.gz BGWJFGKUXSXCIV-KRWDZBQOSA-N 0 0 341.455 3.187 10 10 EGCERN C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000757658567 574968992 /nfs/dbraw/zinc/96/89/92/574968992.db2.gz RQUFBXNJKHOOCK-ZJUUUORDSA-N 0 0 332.213 3.371 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCCOC(C)(C)C)cc1F ZINC000731403685 575072361 /nfs/dbraw/zinc/07/23/61/575072361.db2.gz RVTFOERPUAJIIM-UHFFFAOYSA-N 0 0 339.455 3.286 10 10 EGCERN CCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1ccc(C)cc1C ZINC000731969177 575227715 /nfs/dbraw/zinc/22/77/15/575227715.db2.gz RHMRPQWRZWJJIL-CLFYSBASSA-N 0 0 337.423 3.124 10 10 EGCERN Cc1cc(CCNC(=O)c2n[nH]c(C)c2C)c(C)n1-c1ccccc1 ZINC000734421576 575491169 /nfs/dbraw/zinc/49/11/69/575491169.db2.gz ZORSBPJNODVCGU-UHFFFAOYSA-N 0 0 336.439 3.407 10 10 EGCERN COC[C@H](O)CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734637185 575535363 /nfs/dbraw/zinc/53/53/63/575535363.db2.gz COBUBGYJUXEIOP-GOSISDBHSA-N 0 0 327.424 3.026 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000735669469 575696919 /nfs/dbraw/zinc/69/69/19/575696919.db2.gz MUBBCNREBYSEOO-ZADDAZQUSA-N 0 0 336.413 3.111 10 10 EGCERN CN(c1ccc(CNC(=O)c2nccn2C)cc1)C1CCCCC1 ZINC000741262411 576669765 /nfs/dbraw/zinc/66/97/65/576669765.db2.gz DJKACPGYRUYORC-UHFFFAOYSA-N 0 0 326.444 3.119 10 10 EGCERN Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)c(C)n1-c1cccc(C)c1 ZINC000742235532 576760394 /nfs/dbraw/zinc/76/03/94/576760394.db2.gz RZNQJXOQVQBOGS-APWZRJJASA-N 0 0 326.440 3.293 10 10 EGCERN COc1cccc(CNC(=O)c2cccc(-c3cscn3)c2)c1O ZINC000743333132 576805911 /nfs/dbraw/zinc/80/59/11/576805911.db2.gz KBTWTZHTBFONSD-UHFFFAOYSA-N 0 0 340.404 3.454 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)OCC[C@H](C)OC)ccc21 ZINC000744310558 576825085 /nfs/dbraw/zinc/82/50/85/576825085.db2.gz VXBDTEWLWFLBAA-ZDUSSCGKSA-N 0 0 333.428 3.486 10 10 EGCERN O=C(C1CCCCC1)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000092539574 1292874788 /nfs/dbraw/zinc/87/47/88/1292874788.db2.gz HREMZEVFTYBXEH-UHFFFAOYSA-N 0 0 336.863 3.270 10 10 EGCERN COc1ccc(N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1Cl ZINC000121976445 1293398576 /nfs/dbraw/zinc/39/85/76/1293398576.db2.gz ODFFDLIYRNDATJ-UHFFFAOYSA-N 0 0 348.786 3.152 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)NOCc1ccc(F)cc1 ZINC000184668096 1295209513 /nfs/dbraw/zinc/20/95/13/1295209513.db2.gz ZLWPCDDOJHQMCB-UHFFFAOYSA-N 0 0 344.386 3.341 10 10 EGCERN CC(C)NC(=O)Nc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871199121 1296269096 /nfs/dbraw/zinc/26/90/96/1296269096.db2.gz SRKLNIFLBCGJCC-UHFFFAOYSA-N 0 0 339.395 3.078 10 10 EGCERN C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098236 1298235653 /nfs/dbraw/zinc/23/56/53/1298235653.db2.gz FQFNTDLAHPWUGP-ZJUUUORDSA-N 0 0 347.684 3.367 10 10 EGCERN Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)cc1Cl ZINC000722248898 1298337281 /nfs/dbraw/zinc/33/72/81/1298337281.db2.gz NFOHSLBBVDMONX-UHFFFAOYSA-N 0 0 333.196 3.082 10 10 EGCERN C[C@@H]1CO[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC000888811293 1304285386 /nfs/dbraw/zinc/28/53/86/1304285386.db2.gz NEPUYAGLQRHFQN-SWLSCSKDSA-N 0 0 344.377 3.069 10 10 EGCERN CC(C)c1c[nH]c(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000893909819 1306125511 /nfs/dbraw/zinc/12/55/11/1306125511.db2.gz FXKDXCJFQPNIIM-UHFFFAOYSA-N 0 0 328.460 3.002 10 10 EGCERN COc1c(O)c(CN[C@@H]2c3ccccc3CC[C@H]2F)ccc1[N+](=O)[O-] ZINC000895690692 1309467141 /nfs/dbraw/zinc/46/71/41/1309467141.db2.gz KKBRKQVPLVLFJC-GDBMZVCRSA-N 0 0 346.358 3.424 10 10 EGCERN C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc(F)c3[O-])O2)[C@H]1C ZINC000895819586 1309534430 /nfs/dbraw/zinc/53/44/30/1309534430.db2.gz BLMTXOLZIODJTF-URTBUVHWSA-N 0 0 343.826 3.247 10 10 EGCERN O=C(NCCC[C@@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000897396251 1310318618 /nfs/dbraw/zinc/31/86/18/1310318618.db2.gz UIANGSDUNLTISH-LBPRGKRZSA-N 0 0 335.425 3.392 10 10 EGCERN Cc1ccc(O)c(CNC(=O)C[C@H]2CCc3sccc3C2=O)c1 ZINC000899133171 1310947578 /nfs/dbraw/zinc/94/75/78/1310947578.db2.gz HMZSLBQSWGSSMT-GFCCVEGCSA-N 0 0 329.421 3.214 10 10 EGCERN CC(C)n1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1Cl ZINC000858199878 1328710239 /nfs/dbraw/zinc/71/02/39/1328710239.db2.gz SZLHHRHLTFOUHH-UHFFFAOYSA-N 0 0 334.851 3.456 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1F ZINC000858206552 1328711174 /nfs/dbraw/zinc/71/11/74/1328711174.db2.gz KNLSDNMTGBQWLZ-YJBOKZPZSA-N 0 0 349.450 3.039 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000858274557 1328726564 /nfs/dbraw/zinc/72/65/64/1328726564.db2.gz VSQMMJFTKSPQRN-PJIJBLCYSA-N 0 0 340.423 3.453 10 10 EGCERN Cc1oc(C=O)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929935116 1328742547 /nfs/dbraw/zinc/74/25/47/1328742547.db2.gz OQRZJGHKPBTSEM-UHFFFAOYSA-N 0 0 326.396 3.271 10 10 EGCERN CN(CCCCC(=O)N1Cc2cccc(O)c2C1)C(=O)OC(C)(C)C ZINC000913726352 1319109230 /nfs/dbraw/zinc/10/92/30/1319109230.db2.gz NANTYODWTULHOE-UHFFFAOYSA-N 0 0 348.443 3.272 10 10 EGCERN C[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCS1 ZINC000915391329 1319479324 /nfs/dbraw/zinc/47/93/24/1319479324.db2.gz ZMPKXMNKEOBTNH-CZUORRHYSA-N 0 0 333.501 3.152 10 10 EGCERN CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)CCO1 ZINC000921841499 1322410751 /nfs/dbraw/zinc/41/07/51/1322410751.db2.gz SXBNYDJHWJUGLF-DYVFJYSZSA-N 0 0 338.423 3.314 10 10 EGCERN C[C@H](NC(=O)N1CCOC[C@@H]1CC1CC1)c1ccc(N(C)C)cc1 ZINC000922055653 1322445980 /nfs/dbraw/zinc/44/59/80/1322445980.db2.gz RSJIEDUBFVMBBX-KSSFIOAISA-N 0 0 331.460 3.024 10 10 EGCERN Cc1cnc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000922056397 1322446226 /nfs/dbraw/zinc/44/62/26/1322446226.db2.gz ZQUXWLRVJKCCCH-HNNXBMFYSA-N 0 0 326.444 3.325 10 10 EGCERN CC(C)(C)OC1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000923620989 1322782787 /nfs/dbraw/zinc/78/27/87/1322782787.db2.gz NWCACMZDELHOAZ-UHFFFAOYSA-N 0 0 338.423 3.457 10 10 EGCERN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)nn1CC(F)(F)F ZINC000931760587 1329178251 /nfs/dbraw/zinc/17/82/51/1329178251.db2.gz KZHLQDQNWCLTQZ-UHFFFAOYSA-N 0 0 340.305 3.007 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)C(F)(F)F)C2)cc1 ZINC000862035296 1329456200 /nfs/dbraw/zinc/45/62/00/1329456200.db2.gz PPCMKEQCBDOHHS-QWHCGFSZSA-N 0 0 344.377 3.226 10 10 EGCERN C[C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000860348345 1329307841 /nfs/dbraw/zinc/30/78/41/1329307841.db2.gz XAYGBQAABSGMOF-TZMCWYRMSA-N 0 0 345.361 3.488 10 10 EGCERN C[C@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)c1ccc(N(C)C)cc1 ZINC000860949853 1329372081 /nfs/dbraw/zinc/37/20/81/1329372081.db2.gz GMJBTWOVQYVEMG-BBRMVZONSA-N 0 0 342.414 3.320 10 10 EGCERN C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000926951062 1327792040 /nfs/dbraw/zinc/79/20/40/1327792040.db2.gz WTFJZIJXGSURKT-WTBMIXGQSA-N 0 0 332.227 3.154 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927277327 1327949657 /nfs/dbraw/zinc/94/96/57/1327949657.db2.gz BDWGFSSYPHKSOS-KWEXDPCDSA-N 0 0 345.292 3.004 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CCCCO)ccc1C ZINC000861244600 1329401616 /nfs/dbraw/zinc/40/16/16/1329401616.db2.gz RLDSGMMAODQIKU-UHFFFAOYSA-N 0 0 342.439 3.060 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[C@H](C)F)cc1 ZINC000861834912 1329444446 /nfs/dbraw/zinc/44/44/46/1329444446.db2.gz IQFMBUAIXIAQIT-ZDUSSCGKSA-N 0 0 330.403 3.313 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC2CSC2)ccc1C ZINC000861926223 1329451207 /nfs/dbraw/zinc/45/12/07/1329451207.db2.gz HHWJUERMJGJAFZ-UHFFFAOYSA-N 0 0 342.464 3.308 10 10 EGCERN C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC000862025926 1329455839 /nfs/dbraw/zinc/45/58/39/1329455839.db2.gz CCWPYFXVUHSVSH-DOMZBBRYSA-N 0 0 340.423 3.198 10 10 EGCERN Cc1cc(C(=O)NCC[C@@H]2CCCOC2)c(C)n1-c1ccccn1 ZINC000862389791 1329481394 /nfs/dbraw/zinc/48/13/94/1329481394.db2.gz WIOKDIAXNWSKOC-INIZCTEOSA-N 0 0 327.428 3.036 10 10 EGCERN CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000863543559 1329562065 /nfs/dbraw/zinc/56/20/65/1329562065.db2.gz QTFSVUBNBMXSGU-OXHMUOHRSA-N 0 0 331.229 3.085 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1C[C@H]1c1ccco1 ZINC000863915819 1329588927 /nfs/dbraw/zinc/58/89/27/1329588927.db2.gz IWTRSQVXIJIVPC-VXGBXAGGSA-N 0 0 336.185 3.168 10 10 EGCERN O=C1N=C(N2CCCCC2)S/C1=C\c1ccnn1CC1CCC1 ZINC000864365463 1329610421 /nfs/dbraw/zinc/61/04/21/1329610421.db2.gz UTKLTAHVUNFUQB-PTNGSMBKSA-N 0 0 330.457 3.139 10 10 EGCERN COc1ccc(N2CCC(NC(=O)C3(C(F)F)CCC3)CC2)cc1 ZINC000865115725 1329670439 /nfs/dbraw/zinc/67/04/39/1329670439.db2.gz PNIKFRGMOZQMSB-UHFFFAOYSA-N 0 0 338.398 3.216 10 10 EGCERN C[C@@H](O)c1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000865468560 1329701539 /nfs/dbraw/zinc/70/15/39/1329701539.db2.gz BEIVEXKGFBNAKW-LSDHHAIUSA-N 0 0 327.428 3.145 10 10 EGCERN O=C(NCCCSc1nccs1)c1cccc2c1C(=O)CC2 ZINC000865784453 1329738340 /nfs/dbraw/zinc/73/83/40/1329738340.db2.gz XXUQKPOBMDKSAK-UHFFFAOYSA-N 0 0 332.450 3.184 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000866512915 1330120337 /nfs/dbraw/zinc/12/03/37/1330120337.db2.gz PYERVUVCRVELJH-QITLCBANSA-N 0 0 333.428 3.035 10 10 EGCERN C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1cc(F)cc(F)c1[O-] ZINC000866574437 1330128690 /nfs/dbraw/zinc/12/86/90/1330128690.db2.gz VVIKPXAELZPWAV-NSHDSACASA-N 0 0 331.366 3.450 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Cc1cn2c(C)csc2n1 ZINC000866598631 1330131721 /nfs/dbraw/zinc/13/17/21/1330131721.db2.gz KSQMBQCOAMGTQP-UHFFFAOYSA-N 0 0 343.452 3.391 10 10 EGCERN C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])c1ccnn1C ZINC000866613376 1330133291 /nfs/dbraw/zinc/13/32/91/1330133291.db2.gz HSMMGWZVTCYSSY-IUCAKERBSA-N 0 0 342.212 3.439 10 10 EGCERN Cc1cn2cc(CC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)nc2s1 ZINC000867504074 1330206419 /nfs/dbraw/zinc/20/64/19/1330206419.db2.gz RUSJEFOCLUHBDZ-ZDUSSCGKSA-N 0 0 342.468 3.190 10 10 EGCERN C[C@H](NS(=O)(=O)CCc1cccc(Cl)c1)c1ccccc1O ZINC000867836519 1330223234 /nfs/dbraw/zinc/22/32/34/1330223234.db2.gz WCDMULGJALZGQV-LBPRGKRZSA-N 0 0 339.844 3.269 10 10 EGCERN C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000868110244 1330250405 /nfs/dbraw/zinc/25/04/05/1330250405.db2.gz WWNMHPJTSOOYPK-HOTGVXAUSA-N 0 0 339.439 3.279 10 10 EGCERN CO[C@@H](C)c1nc(CNC(=O)N[C@@H](C)c2ccccc2O)cs1 ZINC000868346604 1330272604 /nfs/dbraw/zinc/27/26/04/1330272604.db2.gz FRARTQDZDAKXCS-QWRGUYRKSA-N 0 0 335.429 3.117 10 10 EGCERN C[C@@H]1C[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@@H](C)O1 ZINC000868433013 1330280165 /nfs/dbraw/zinc/28/01/65/1330280165.db2.gz HSCKOGOVMSXSSA-MCIONIFRSA-N 0 0 336.395 3.148 10 10 EGCERN Cc1cnc(F)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000868890527 1330368100 /nfs/dbraw/zinc/36/81/00/1330368100.db2.gz UZVWVMQTQTVWJT-AWEZNQCLSA-N 0 0 329.419 3.265 10 10 EGCERN COc1ccc(N(CC[S@@](C)=O)Cc2ccccc2)cc1OC ZINC001198837584 1369126741 /nfs/dbraw/zinc/12/67/41/1369126741.db2.gz NXMSLJXSLNCAKI-HSZRJFAPSA-N 0 0 333.453 3.089 10 10 EGCERN Oc1c(CNc2ncnc3[nH]c(Cl)cc32)ccc2cccnc21 ZINC001186746781 1388003976 /nfs/dbraw/zinc/00/39/76/1388003976.db2.gz AOTIZQIRYWNWHT-UHFFFAOYSA-N 0 0 325.759 3.477 10 10 EGCERN CC(C)N1C(=O)CN(Cc2ccc(N3CCCC3)cc2)CC1(C)C ZINC001116443821 1370912782 /nfs/dbraw/zinc/91/27/82/1370912782.db2.gz ITRDFRXHOGKTTF-UHFFFAOYSA-N 0 0 329.488 3.118 10 10 EGCERN O=C([C@@H]1CCC[C@@H](F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001118155398 1371138696 /nfs/dbraw/zinc/13/86/96/1371138696.db2.gz INVKHVYANOOIER-OIISXLGYSA-N 0 0 335.419 3.428 10 10 EGCERN CC(C)CN(CC(=O)N1Cc2cccc(O)c2C1)C(=O)OC(C)(C)C ZINC001118994974 1371263511 /nfs/dbraw/zinc/26/35/11/1371263511.db2.gz AHROZCMLFAGVIV-UHFFFAOYSA-N 0 0 348.443 3.128 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001124031781 1372660975 /nfs/dbraw/zinc/66/09/75/1372660975.db2.gz RRISROHUAZLITR-WFASDCNBSA-N 0 0 347.436 3.486 10 10 EGCERN Cc1cc(C(=O)N2CC[C@](O)(C(F)F)C2)c(C)n1-c1cccc(C)c1 ZINC001326589437 1388250345 /nfs/dbraw/zinc/25/03/45/1388250345.db2.gz HVAFIWDSYZKKSA-LJQANCHMSA-N 0 0 348.393 3.245 10 10 EGCERN COc1ncc(/C=C\C(=O)N2CCc3cc(C(C)(C)C)ccc32)cn1 ZINC001128339209 1373255178 /nfs/dbraw/zinc/25/51/78/1373255178.db2.gz DMFJFLNHHHUCNM-YVMONPNESA-N 0 0 337.423 3.385 10 10 EGCERN Cc1cnc2cc(C(=O)Nc3c4nonc4ccc3Cl)ccn12 ZINC001128607139 1373297440 /nfs/dbraw/zinc/29/74/40/1373297440.db2.gz NDWZZBVUZVJMBK-UHFFFAOYSA-N 0 0 327.731 3.085 10 10 EGCERN Cc1cc(=O)oc2cc(N(C)C(=O)/C=C\c3cccnc3C)ccc12 ZINC001128818108 1373313384 /nfs/dbraw/zinc/31/33/84/1373313384.db2.gz NKOYCYBJFVYFGD-TWGQIWQCSA-N 0 0 334.375 3.481 10 10 EGCERN COCC(C)(C)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001229445976 1375837227 /nfs/dbraw/zinc/83/72/27/1375837227.db2.gz NPCYWPADSURSHG-UHFFFAOYSA-N 0 0 333.476 3.101 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001135735156 1377198119 /nfs/dbraw/zinc/19/81/19/1377198119.db2.gz NJCQXJRORWSJAE-UHFFFAOYSA-N 0 0 342.439 3.145 10 10 EGCERN O=C(NCCCSc1nccs1)c1cn(-c2ccccc2)cn1 ZINC001136662031 1377413762 /nfs/dbraw/zinc/41/37/62/1377413762.db2.gz YORIPYPBZVOXEI-UHFFFAOYSA-N 0 0 344.465 3.241 10 10 EGCERN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136801418 1377424545 /nfs/dbraw/zinc/42/45/45/1377424545.db2.gz SIIZOCNLKXZXGE-DZGCQCFKSA-N 0 0 346.431 3.420 10 10 EGCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ncc(-c2ccccc2)o1 ZINC001136890467 1377436164 /nfs/dbraw/zinc/43/61/64/1377436164.db2.gz OUVURBFYIGCIAD-LBPRGKRZSA-N 0 0 338.363 3.173 10 10 EGCERN CCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c2ncccc12 ZINC001138073892 1377673741 /nfs/dbraw/zinc/67/37/41/1377673741.db2.gz CMKMEODDPLSENL-UHFFFAOYSA-N 0 0 338.363 3.226 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001327554231 1388559267 /nfs/dbraw/zinc/55/92/67/1388559267.db2.gz ZMWRRYMCFJQLDF-SHHSBJBSSA-N 0 0 336.382 3.114 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001146233092 1378800972 /nfs/dbraw/zinc/80/09/72/1378800972.db2.gz QHHBPORSOLZPRG-AEFFLSMTSA-N 0 0 345.826 3.452 10 10 EGCERN CC(C)(C(=O)NCc1ccccc1O)c1cc(C(F)(F)F)ccn1 ZINC001150535863 1379564097 /nfs/dbraw/zinc/56/40/97/1379564097.db2.gz IGUPEACECVUMAA-UHFFFAOYSA-N 0 0 338.329 3.400 10 10 EGCERN Cc1cc(CNC(=O)c2cc(C)[nH]c(=O)c2)c(C)n1-c1ccccc1 ZINC001151152812 1379668342 /nfs/dbraw/zinc/66/83/42/1379668342.db2.gz DRCZJGGQMGEQJF-UHFFFAOYSA-N 0 0 335.407 3.433 10 10 EGCERN C[C@@H](NC(=O)c1scnc1Br)c1ccccc1O ZINC001151885801 1379810237 /nfs/dbraw/zinc/81/02/37/1379810237.db2.gz IHHKHWWVBUFDGO-SSDOTTSWSA-N 0 0 327.203 3.102 10 10 EGCERN CCC(CC)CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001152402340 1379927448 /nfs/dbraw/zinc/92/74/48/1379927448.db2.gz WTBXAKLKOPXFPE-UHFFFAOYSA-N 0 0 341.835 3.374 10 10 EGCERN COc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1OC(F)F ZINC001152565545 1379950132 /nfs/dbraw/zinc/95/01/32/1379950132.db2.gz NITFQAUJVPLKNQ-UHFFFAOYSA-N 0 0 335.306 3.158 10 10 EGCERN CC(C)(C)c1ccc(C(=O)NCc2c(O)cccc2O)cc1[N+](=O)[O-] ZINC001156881052 1380715668 /nfs/dbraw/zinc/71/56/68/1380715668.db2.gz NIOKZFNCBPPTFO-UHFFFAOYSA-N 0 0 344.367 3.234 10 10 EGCERN Cc1nc(C(=O)NCc2c(O)cccc2O)c(-c2ccccc2)s1 ZINC001156880978 1380716350 /nfs/dbraw/zinc/71/63/50/1380716350.db2.gz KMVYANYBZXYGJH-UHFFFAOYSA-N 0 0 340.404 3.460 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccccc1NCc1cccnc1 ZINC001156886044 1380717346 /nfs/dbraw/zinc/71/73/46/1380717346.db2.gz RZAXXKGICOCBIH-UHFFFAOYSA-N 0 0 349.390 3.035 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001159041540 1381536159 /nfs/dbraw/zinc/53/61/59/1381536159.db2.gz RCEOMAZXBRYTEX-UHFFFAOYSA-N 0 0 345.742 3.365 10 10 EGCERN CCOC(OCC)[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001160177013 1382025366 /nfs/dbraw/zinc/02/53/66/1382025366.db2.gz QOHRTNCVGWFINT-AWEZNQCLSA-N 0 0 345.443 3.007 10 10 EGCERN CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)ccc21 ZINC001328541873 1388772128 /nfs/dbraw/zinc/77/21/28/1388772128.db2.gz JSTNNAXYSVOZMI-OAGGEKHMSA-N 0 0 334.410 3.367 10 10 EGCERN Cc1cc(C(=O)NC2CC3(CC3(F)F)C2)c(C)n1-c1ccccn1 ZINC001328582264 1388781448 /nfs/dbraw/zinc/78/14/48/1388781448.db2.gz KYHDDTNMZMFTTE-UHFFFAOYSA-N 0 0 331.366 3.407 10 10 EGCERN CCn1nc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1C1CC1 ZINC001294492482 1382463647 /nfs/dbraw/zinc/46/36/47/1382463647.db2.gz MPSCPGFPWROYBZ-UHFFFAOYSA-N 0 0 326.360 3.195 10 10 EGCERN O=C(Cc1cscn1)N(Cc1ccco1)Cc1ccccc1O ZINC001294672726 1382482908 /nfs/dbraw/zinc/48/29/08/1382482908.db2.gz URUPKEKCRPYXSC-UHFFFAOYSA-N 0 0 328.393 3.213 10 10 EGCERN O=C(NCc1ccnc(Cl)c1)c1cc2cc(O)c(O)cc2s1 ZINC001161767795 1382500534 /nfs/dbraw/zinc/50/05/34/1382500534.db2.gz WMMBLARXYMLZFV-UHFFFAOYSA-N 0 0 334.784 3.291 10 10 EGCERN CNc1nc(C)ccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001162115558 1382631412 /nfs/dbraw/zinc/63/14/12/1382631412.db2.gz SQADHIZYTSZABM-OAHLLOKOSA-N 0 0 340.471 3.167 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC001297562265 1383185374 /nfs/dbraw/zinc/18/53/74/1383185374.db2.gz FKVODTQBWGMXCP-BBRMVZONSA-N 0 0 326.433 3.089 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)C(=O)c1c[nH]c2cc(F)ccc21 ZINC001165508682 1383305367 /nfs/dbraw/zinc/30/53/67/1383305367.db2.gz SWPVIQXFTSGKFD-UHFFFAOYSA-N 0 0 346.745 3.165 10 10 EGCERN Cc1sc(-n2cccc2)c(C(=O)NCc2ccc(O)cc2O)c1C ZINC001299570634 1383572330 /nfs/dbraw/zinc/57/23/30/1383572330.db2.gz LADCJLRQNYJSDS-UHFFFAOYSA-N 0 0 342.420 3.497 10 10 EGCERN Cc1ccc(O)c(CNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC001167293635 1383586843 /nfs/dbraw/zinc/58/68/43/1383586843.db2.gz MHCSDUMURHOJDA-HNNXBMFYSA-N 0 0 340.206 3.357 10 10 EGCERN Cc1ccc(C(C)(C)CNC(=O)c2ccc(N=NC(N)=O)cc2)nc1 ZINC001300831513 1383682470 /nfs/dbraw/zinc/68/24/70/1383682470.db2.gz AVOOULTVNIHBGW-UHFFFAOYSA-N 0 0 339.399 3.260 10 10 EGCERN COCCN(CCCOC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC001307533775 1383998258 /nfs/dbraw/zinc/99/82/58/1383998258.db2.gz PZHLFEVMLCJAQR-UHFFFAOYSA-N 0 0 325.449 3.362 10 10 EGCERN COc1ccc(N(C)CCN(C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC001307898091 1384053590 /nfs/dbraw/zinc/05/35/90/1384053590.db2.gz XVSUQJJOZYQOPT-UHFFFAOYSA-N 0 0 341.455 3.010 10 10 EGCERN C[C@H]1CSC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001312670451 1384364618 /nfs/dbraw/zinc/36/46/18/1384364618.db2.gz YNHAKDGHPJCFOY-YOEHRIQHSA-N 0 0 333.501 3.180 10 10 EGCERN CC[C@H](CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C)OC ZINC001312809419 1384373371 /nfs/dbraw/zinc/37/33/71/1384373371.db2.gz CEEMVQCDXNWXEW-GOSISDBHSA-N 0 0 329.444 3.318 10 10 EGCERN C[C@@H](NC(=O)c1cccc(Br)c1N)c1ccccc1O ZINC001171723704 1384613703 /nfs/dbraw/zinc/61/37/03/1384613703.db2.gz XYTODLMLYLVJJY-SECBINFHSA-N 0 0 335.201 3.228 10 10 EGCERN O=C(NCc1cccc(O)c1O)c1ccc(-c2ccccc2F)o1 ZINC001176566462 1385627126 /nfs/dbraw/zinc/62/71/26/1385627126.db2.gz XOBFYNOZEKXXOP-UHFFFAOYSA-N 0 0 327.311 3.427 10 10 EGCERN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O ZINC001176747840 1385681171 /nfs/dbraw/zinc/68/11/71/1385681171.db2.gz CMYYWQIIRQZLKP-KRWDZBQOSA-N 0 0 349.814 3.471 10 10 EGCERN CC(C)(C)O[C@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001176755288 1385684698 /nfs/dbraw/zinc/68/46/98/1385684698.db2.gz OIEWFLPYMMIZCO-KRWDZBQOSA-N 0 0 329.396 3.270 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1cccn1Cc1cccs1 ZINC001178412801 1386210086 /nfs/dbraw/zinc/21/00/86/1386210086.db2.gz GCCZXPIFUSTRKO-UHFFFAOYSA-N 0 0 330.384 3.373 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1ncoc1C(F)(F)F ZINC001179033064 1386383111 /nfs/dbraw/zinc/38/31/11/1386383111.db2.gz SUUKVPQLLVCUCA-UHFFFAOYSA-N 0 0 336.269 3.482 10 10 EGCERN COc1ccc([C@H](NC(=O)Cc2ccc(O)c(O)c2)C2CCC2)cc1 ZINC001179762584 1386575391 /nfs/dbraw/zinc/57/53/91/1386575391.db2.gz PHCSXQXSDNUAAM-HXUWFJFHSA-N 0 0 341.407 3.307 10 10 EGCERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c2nonc2ccc1Cl ZINC001321389765 1386892110 /nfs/dbraw/zinc/89/21/10/1386892110.db2.gz ZUAASQJMCPKBOH-UHFFFAOYSA-N 0 0 332.703 3.345 10 10 EGCERN CO[C@H]1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC001321777258 1386981760 /nfs/dbraw/zinc/98/17/60/1386981760.db2.gz LHQZXKVUWDXPEL-CVEARBPZSA-N 0 0 344.411 3.265 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(OC(F)F)cc2F)cc1 ZINC001348910199 1391282851 /nfs/dbraw/zinc/28/28/51/1391282851.db2.gz MMWWLJYBMKHMPZ-UHFFFAOYSA-N 0 0 338.329 3.423 10 10 EGCERN C[C@@H](NC(=O)CC[C@H]1[C@H](C)Nc2ccnn2[C@H]1C)c1ccccc1O ZINC001348994466 1391294096 /nfs/dbraw/zinc/29/40/96/1391294096.db2.gz XYBHLJPEKQHTIV-XGUBFFRZSA-N 0 0 342.443 3.238 10 10 EGCERN CSc1ccc(CCCC(=O)NCc2cccc(O)c2O)cc1 ZINC001349078009 1391300972 /nfs/dbraw/zinc/30/09/72/1391300972.db2.gz HILXSYANWXYVRV-UHFFFAOYSA-N 0 0 331.437 3.459 10 10 EGCERN COc1cccc(CNC(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)c1O ZINC001349743338 1391361582 /nfs/dbraw/zinc/36/15/82/1391361582.db2.gz HNJLVUGJILYJEU-DLBZAZTESA-N 0 0 340.423 3.079 10 10 EGCERN CN(C)c1ccc(CNC(=O)Cc2cc(C(F)(F)F)ccn2)cc1 ZINC001351331326 1391628132 /nfs/dbraw/zinc/62/81/32/1391628132.db2.gz TXDSDFZDYLOMPF-UHFFFAOYSA-N 0 0 337.345 3.025 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCOCC23CCCC3)cc1 ZINC001351603134 1391655995 /nfs/dbraw/zinc/65/59/95/1391655995.db2.gz XVMIQGHAIIZZSJ-SFHVURJKSA-N 0 0 345.487 3.243 10 10 EGCERN C[C@@H](CSCc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001352657527 1391828985 /nfs/dbraw/zinc/82/89/85/1391828985.db2.gz FTXIDOHNLHSDMS-ZDUSSCGKSA-N 0 0 331.437 3.284 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC001353503977 1392025504 /nfs/dbraw/zinc/02/55/04/1392025504.db2.gz OCBSUOVSNLLCQL-MRXNPFEDSA-N 0 0 348.487 3.373 10 10 EGCERN COc1ccc(N2CCN(C(=O)N[C@@H]3CC=CC[C@H]3C)CC2)cc1F ZINC001479559170 1392275310 /nfs/dbraw/zinc/27/53/10/1392275310.db2.gz DDHPKYFZMMINFY-RHSMWYFYSA-N 0 0 347.434 3.021 10 10 EGCERN CC[C@]1(C)CC[C@@H](Cn2c(C)nnc2N(C)Cc2ccccc2O)O1 ZINC001497480730 1396764118 /nfs/dbraw/zinc/76/41/18/1396764118.db2.gz KSSJGJDIMZAKFB-QFBILLFUSA-N 0 0 344.459 3.276 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)CCC(C)C ZINC001707861623 1417384713 /nfs/dbraw/zinc/38/47/13/1417384713.db2.gz PUSXQRDKOHVRGF-IBGZPJMESA-N 0 0 346.475 3.116 10 10 EGCERN Cc1nnc(N2CC=C(C)CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001762168637 1441374683 /nfs/dbraw/zinc/37/46/83/1441374683.db2.gz CELHHCXOBXQATP-UHFFFAOYSA-N 0 0 337.471 3.174 10 10 EGCERN CCCCn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1O ZINC001764116242 1441387775 /nfs/dbraw/zinc/38/77/75/1441387775.db2.gz SQMPTTHWBFNDSA-UHFFFAOYSA-N 0 0 339.443 3.426 10 10 EGCERN Cc1cccc(C)c1C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000904068433 1126132872 /nfs/dbraw/zinc/13/28/72/1126132872.db2.gz DBSWHFNJQIFUCV-IBGZPJMESA-N 0 0 326.440 3.155 10 10 EGCERN Cc1cc(CNC(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000021881184 202073595 /nfs/dbraw/zinc/07/35/95/202073595.db2.gz VPLOXRCRJDZJJT-IBGZPJMESA-N 0 0 341.455 3.381 10 10 EGCERN Nc1ccc(CCOc2ccc(I)cc2)cc1 ZINC000035677412 202308554 /nfs/dbraw/zinc/30/85/54/202308554.db2.gz LVUUBOWETWDXOK-UHFFFAOYSA-N 0 0 339.176 3.495 10 10 EGCERN Nc1nc(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccco2)n1 ZINC000006603988 201686583 /nfs/dbraw/zinc/68/65/83/201686583.db2.gz WEIPUYOBXQBLTN-UHFFFAOYSA-N 0 0 346.799 3.342 10 10 EGCERN O=C1NC(=S)S/C1=C/C=C\c1ccc(Br)cc1 ZINC000006095191 284867988 /nfs/dbraw/zinc/86/79/88/284867988.db2.gz PZXQZLCVMLFUIP-ACMIUEAZSA-N 0 0 326.240 3.494 10 10 EGCERN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC2(CCCC2)O1 ZINC000189634297 455225334 /nfs/dbraw/zinc/22/53/34/455225334.db2.gz APDHLDRSKQEGRG-SOFGYWHQSA-N 0 0 331.412 3.061 10 10 EGCERN Cc1nc([C@@H](NCc2cc(F)ccc2O)c2ccccc2F)no1 ZINC000180762561 455240929 /nfs/dbraw/zinc/24/09/29/455240929.db2.gz DSDFZHYBRFSXHL-INIZCTEOSA-N 0 0 331.322 3.241 10 10 EGCERN CCN(CC)c1ccc2nc3c(nc2c1)C(=O)c1ccccc1C3=O ZINC000000201073 452533217 /nfs/dbraw/zinc/53/32/17/452533217.db2.gz VDLCGTBTCDELCR-UHFFFAOYSA-N 0 0 331.375 3.251 10 10 EGCERN COc1ccc(C=C2SC(Nc3cccnc3)=NC2=O)c(OC)c1 ZINC000016915879 453624695 /nfs/dbraw/zinc/62/46/95/453624695.db2.gz CVRJMPHUVMUISJ-NVNXTCNLSA-N 0 0 341.392 3.181 10 10 EGCERN C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1cc2c(cc1O)OCO2 ZINC000066795239 453874037 /nfs/dbraw/zinc/87/40/37/453874037.db2.gz YLECFQPEKZOYAR-ORAYPTAESA-N 0 0 327.380 3.083 10 10 EGCERN C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cc2c(cc1O)OCO2 ZINC000066795236 453874215 /nfs/dbraw/zinc/87/42/15/453874215.db2.gz YLECFQPEKZOYAR-YJYMSZOUSA-N 0 0 327.380 3.083 10 10 EGCERN O=C(Nc1nncs1)N(Cc1ccco1)Cc1ccccc1O ZINC000044972411 454129986 /nfs/dbraw/zinc/12/99/86/454129986.db2.gz JPXVPTRGUSMOHL-UHFFFAOYSA-N 0 0 330.369 3.071 10 10 EGCERN Oc1ccc(CCNc2nc(-c3ccncc3)nc3c2CCC3)cc1O ZINC000095407822 454204629 /nfs/dbraw/zinc/20/46/29/454204629.db2.gz SNLNKMAAVLYWHI-UHFFFAOYSA-N 0 0 348.406 3.093 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSC(C)(C)C ZINC000078549083 454274500 /nfs/dbraw/zinc/27/45/00/454274500.db2.gz AQKBUOPIXWDTKO-UHFFFAOYSA-N 0 0 336.501 3.013 10 10 EGCERN C[C@@H]1CN(c2ccc(CNC(=O)N(C)C3CCC3)cc2F)C[C@@H](C)O1 ZINC000073772868 454481353 /nfs/dbraw/zinc/48/13/53/454481353.db2.gz ZTKQOMDQXVSHEX-ZIAGYGMSSA-N 0 0 349.450 3.133 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)cc1 ZINC000065209752 454537618 /nfs/dbraw/zinc/53/76/18/454537618.db2.gz ASLAGQLQCOQJRX-UHFFFAOYSA-N 0 0 334.423 3.083 10 10 EGCERN COc1cccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1O ZINC000122626968 454555204 /nfs/dbraw/zinc/55/52/04/454555204.db2.gz WIKMFZCOCQTSTF-OAHLLOKOSA-N 0 0 345.786 3.316 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@@H](n3cccn3)C2)c(C)n1-c1ccccn1 ZINC000065625671 454607516 /nfs/dbraw/zinc/60/75/16/454607516.db2.gz USVSQVLGKVOOPV-QGZVFWFLSA-N 0 0 349.438 3.163 10 10 EGCERN Cc1nc2[nH]ccc2c(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000080955735 454656010 /nfs/dbraw/zinc/65/60/10/454656010.db2.gz DUCGFPRWPIRQHP-UHFFFAOYSA-N 0 0 330.395 3.436 10 10 EGCERN Cc1cc(C)n(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000108294955 454791642 /nfs/dbraw/zinc/79/16/42/454791642.db2.gz GVVWXCBHHKAVMQ-UHFFFAOYSA-N 0 0 340.471 3.053 10 10 EGCERN C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1COc2ccccc21 ZINC000163308171 454838698 /nfs/dbraw/zinc/83/86/98/454838698.db2.gz UPRBMRHEFORTNG-CJNGLKHVSA-N 0 0 326.396 3.098 10 10 EGCERN COc1cc(OC)cc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 ZINC000170620031 454944176 /nfs/dbraw/zinc/94/41/76/454944176.db2.gz XZCQXCXMYXCSPZ-SFHVURJKSA-N 0 0 340.379 3.107 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000175811329 455500221 /nfs/dbraw/zinc/50/02/21/455500221.db2.gz GATGXQNESYFRMD-UHFFFAOYSA-N 0 0 346.818 3.098 10 10 EGCERN Oc1ccc(F)cc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000180041812 455121107 /nfs/dbraw/zinc/12/11/07/455121107.db2.gz RNCNXEUJGPYYDH-OAHLLOKOSA-N 0 0 330.407 3.186 10 10 EGCERN O=C(c1ccccc1)N1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000182124303 455440308 /nfs/dbraw/zinc/44/03/08/455440308.db2.gz UXGJYMIBXXKLTL-UHFFFAOYSA-N 0 0 344.842 3.440 10 10 EGCERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(F)cc2O)c2ccccc2)[nH]1 ZINC000185324370 455540306 /nfs/dbraw/zinc/54/03/06/455540306.db2.gz RXXJLWQCXVNJNG-GTNSWQLSSA-N 0 0 326.375 3.398 10 10 EGCERN Cc1nnc([C@@H](N[C@H](C)c2cc(F)ccc2O)c2ccccc2)[nH]1 ZINC000185325036 455540587 /nfs/dbraw/zinc/54/05/87/455540587.db2.gz LTXAFVPUWKGVRI-DIFFPNOSSA-N 0 0 326.375 3.398 10 10 EGCERN COc1ccc(O)c(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000182673557 455565523 /nfs/dbraw/zinc/56/55/23/455565523.db2.gz UKILGUOJMPDPIL-INIZCTEOSA-N 0 0 345.786 3.316 10 10 EGCERN CC(C)Oc1ccc(F)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000267936522 455567311 /nfs/dbraw/zinc/56/73/11/455567311.db2.gz QKODBIAOLOEJML-UHFFFAOYSA-N 0 0 348.374 3.388 10 10 EGCERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)cc(C)c2O)C1 ZINC000248800842 455731355 /nfs/dbraw/zinc/73/13/55/455731355.db2.gz ABCWEJTWYVZERN-KGLIPLIRSA-N 0 0 337.807 3.007 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCCO2 ZINC000193946094 455788129 /nfs/dbraw/zinc/78/81/29/455788129.db2.gz DPARDDPLKRDRIV-GFCCVEGCSA-N 0 0 342.395 3.176 10 10 EGCERN O=C(c1cc[nH]c1C1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000285317846 455822998 /nfs/dbraw/zinc/82/29/98/455822998.db2.gz PUUHOFGEMSVXRF-INIZCTEOSA-N 0 0 340.423 3.419 10 10 EGCERN COCCCOC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295249692 455843433 /nfs/dbraw/zinc/84/34/33/455843433.db2.gz FVXWHJLCDGPGMP-UHFFFAOYSA-N 0 0 331.815 3.202 10 10 EGCERN O=C(c1cncc(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000295270773 455844116 /nfs/dbraw/zinc/84/41/16/455844116.db2.gz OMCGUSDXSNQPOT-INIZCTEOSA-N 0 0 346.814 3.262 10 10 EGCERN Cc1cnn(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)c1 ZINC000187313733 455894504 /nfs/dbraw/zinc/89/45/04/455894504.db2.gz RWIPDMJFTUXDJW-GFCCVEGCSA-N 0 0 338.249 3.319 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280231481 455923103 /nfs/dbraw/zinc/92/31/03/455923103.db2.gz LRGBGYYKTNHBHS-IWHGQQBYSA-N 0 0 348.399 3.176 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280231484 455923386 /nfs/dbraw/zinc/92/33/86/455923386.db2.gz LRGBGYYKTNHBHS-JHTBKMLMSA-N 0 0 348.399 3.176 10 10 EGCERN CCN(C(=O)c1cccc(O)c1O)[C@H](C)Cc1ccc(OC)cc1 ZINC000296803456 456041614 /nfs/dbraw/zinc/04/16/14/456041614.db2.gz FGEQCILSIRYBRT-CYBMUJFWSA-N 0 0 329.396 3.200 10 10 EGCERN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(F)cc1[O-] ZINC000287276624 456065237 /nfs/dbraw/zinc/06/52/37/456065237.db2.gz CRZOYHNLRRBOAP-OWQGQXMQSA-N 0 0 337.435 3.140 10 10 EGCERN COc1cccc(CNC(=O)N[C@H]2CCOc3c(C)cccc32)c1O ZINC000188608366 456094224 /nfs/dbraw/zinc/09/42/24/456094224.db2.gz KAWFYPNYKLDUSR-HNNXBMFYSA-N 0 0 342.395 3.032 10 10 EGCERN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000189047613 456210496 /nfs/dbraw/zinc/21/04/96/456210496.db2.gz PRHVTORVMMDOHG-SJKOYZFVSA-N 0 0 346.377 3.122 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCOC1(C)C ZINC000298102089 456363966 /nfs/dbraw/zinc/36/39/66/456363966.db2.gz MHQCNEHYIOCVRE-KRWDZBQOSA-N 0 0 333.476 3.240 10 10 EGCERN O=C(c1cccc(O)c1O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282548390 456547983 /nfs/dbraw/zinc/54/79/83/456547983.db2.gz SDDZFVJZBIGCFA-LBPRGKRZSA-N 0 0 329.318 3.293 10 10 EGCERN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000283762883 456836324 /nfs/dbraw/zinc/83/63/24/456836324.db2.gz BCGRTMHHWWQFHR-MRXNPFEDSA-N 0 0 326.440 3.426 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)c(C)n1-c1ccccc1C ZINC000378309620 457389490 /nfs/dbraw/zinc/38/94/90/457389490.db2.gz PBVVCIYVMXEJQP-MRXNPFEDSA-N 0 0 348.450 3.413 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(-c2cccnc2)c1 ZINC000364258347 457550839 /nfs/dbraw/zinc/55/08/39/457550839.db2.gz DZXOUZOXKMDBRF-VQHVLOKHSA-N 0 0 346.386 3.489 10 10 EGCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H]3c3cccs3)cc2N1 ZINC000361809822 457878098 /nfs/dbraw/zinc/87/80/98/457878098.db2.gz ABCVRMWGNDDCPT-NSHDSACASA-N 0 0 345.380 3.329 10 10 EGCERN Cc1cc(-c2nc([C@@H]3C[C@@H]3C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000547181342 458705412 /nfs/dbraw/zinc/70/54/12/458705412.db2.gz AORMZYWGHSJKNK-GXFFZTMASA-N 0 0 339.420 3.385 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3COCC3(C)C)ccc21 ZINC000456546514 458709702 /nfs/dbraw/zinc/70/97/02/458709702.db2.gz QBVOCIHMRBMPDF-GOSISDBHSA-N 0 0 344.455 3.059 10 10 EGCERN C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215195 458719829 /nfs/dbraw/zinc/71/98/29/458719829.db2.gz FAXLNEYKWWSCPG-QMTHXVAHSA-N 0 0 325.250 3.090 10 10 EGCERN COc1ccc(O)c(CNC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)c1 ZINC000528867242 459815539 /nfs/dbraw/zinc/81/55/39/459815539.db2.gz ZMPCDJZOEASTCT-MRXNPFEDSA-N 0 0 349.333 3.117 10 10 EGCERN CCN(Cc1ccoc1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000726595470 574563072 /nfs/dbraw/zinc/56/30/72/574563072.db2.gz SVZFTFNZDHRLKV-ALCCZGGFSA-N 0 0 330.340 3.401 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)C(=O)c2ccc(F)cc2)cc1F ZINC000731361966 575068036 /nfs/dbraw/zinc/06/80/36/575068036.db2.gz IBALBOGDFACIBZ-UHFFFAOYSA-N 0 0 346.377 3.310 10 10 EGCERN COC(=O)/C=C/c1ccc(N(C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000733188985 575318676 /nfs/dbraw/zinc/31/86/76/575318676.db2.gz UUUCDIMKBFERMV-BUUCAEBMSA-N 0 0 341.367 3.373 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000733188987 575318749 /nfs/dbraw/zinc/31/87/49/575318749.db2.gz UUUCDIMKBFERMV-JWJUJFCLSA-N 0 0 341.367 3.373 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)nc(N(C)C)c2)c1 ZINC000733361758 575331021 /nfs/dbraw/zinc/33/10/21/575331021.db2.gz AXGXLDBQZDQAPV-SNVBAGLBSA-N 0 0 349.818 3.006 10 10 EGCERN COC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000734666744 575534372 /nfs/dbraw/zinc/53/43/72/575534372.db2.gz JKIHDJVFQWQDFV-LJQANCHMSA-N 0 0 341.455 3.248 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N(C[C@@H](C)OC)C(C)C)cc1 ZINC000741079710 576653451 /nfs/dbraw/zinc/65/34/51/576653451.db2.gz NZGSDWLANLSDDQ-MRXNPFEDSA-N 0 0 335.492 3.488 10 10 EGCERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719604 576815250 /nfs/dbraw/zinc/81/52/50/576815250.db2.gz KRRYDZJOMWPXCF-UHFFFAOYSA-N 0 0 340.379 3.418 10 10 EGCERN [NH3+]C[C@H]1CCCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708098592 1298234272 /nfs/dbraw/zinc/23/42/72/1298234272.db2.gz KQLHUWXRTLEKFT-SNVBAGLBSA-N 0 0 347.684 3.369 10 10 EGCERN CC(=O)c1cncc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000895940557 1309602339 /nfs/dbraw/zinc/60/23/39/1309602339.db2.gz SLXWPBVXFFWZHG-UHFFFAOYSA-N 0 0 337.423 3.205 10 10 EGCERN C[C@@H](CO)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000154960237 1294077874 /nfs/dbraw/zinc/07/78/74/1294077874.db2.gz CCNJDGYZKMRXNV-GOEBONIOSA-N 0 0 332.469 3.450 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000173581810 1294466765 /nfs/dbraw/zinc/46/67/65/1294466765.db2.gz IIPDKKZQJFYUCB-DZGCQCFKSA-N 0 0 333.334 3.099 10 10 EGCERN COc1ccc(N2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)cc1 ZINC000179530661 1294802090 /nfs/dbraw/zinc/80/20/90/1294802090.db2.gz GTQTUFZJSKEMAC-UHFFFAOYSA-N 0 0 328.460 3.038 10 10 EGCERN O=C(CCc1cccc(OC(F)F)c1)N1Cc2cccc(O)c2C1 ZINC000871204046 1296271528 /nfs/dbraw/zinc/27/15/28/1296271528.db2.gz BCOZPYHDVVICSQ-UHFFFAOYSA-N 0 0 333.334 3.469 10 10 EGCERN CC(C)(C)OC(=O)CC1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000871206281 1296272963 /nfs/dbraw/zinc/27/29/63/1296272963.db2.gz YFUWKVKMAMYTRH-UHFFFAOYSA-N 0 0 331.412 3.137 10 10 EGCERN CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205859 1296273059 /nfs/dbraw/zinc/27/30/59/1296273059.db2.gz LSOPJIXKHZLSQF-UHFFFAOYSA-N 0 0 333.428 3.383 10 10 EGCERN Cc1cc(C(=O)NC2CC3(CSC3)C2)c(C)n1-c1ccccn1 ZINC000871512474 1296422582 /nfs/dbraw/zinc/42/25/82/1296422582.db2.gz IDQMPSZQMZPGNO-UHFFFAOYSA-N 0 0 327.453 3.115 10 10 EGCERN CCC[NH+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708140273 1298238294 /nfs/dbraw/zinc/23/82/94/1298238294.db2.gz KITIUKDBXFPDKO-UHFFFAOYSA-N 0 0 347.684 3.336 10 10 EGCERN C[C@@H]1C[C@]1(C(=O)NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000890763577 1304873764 /nfs/dbraw/zinc/87/37/64/1304873764.db2.gz YLRPEZBUOHEAGC-QGHHPUGFSA-N 0 0 339.819 3.030 10 10 EGCERN c1cn(C2CC2)c(CNCc2ccc(N3CCSCC3)cc2)n1 ZINC000892613667 1305470207 /nfs/dbraw/zinc/47/02/07/1305470207.db2.gz WTRDCHIMYIQNDM-UHFFFAOYSA-N 0 0 328.485 3.061 10 10 EGCERN C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000895477018 1309358827 /nfs/dbraw/zinc/35/88/27/1309358827.db2.gz PGUMFKYXRBGOBY-QPUJVOFHSA-N 0 0 325.277 3.212 10 10 EGCERN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])O2 ZINC000895821682 1309536399 /nfs/dbraw/zinc/53/63/99/1309536399.db2.gz SKJWURHLCLRMMN-JJTUWOBKSA-N 0 0 343.826 3.247 10 10 EGCERN C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)cc(F)c3[O-])O2)CO1 ZINC000895823277 1309537509 /nfs/dbraw/zinc/53/75/09/1309537509.db2.gz ZCTPGDCUWGKHDL-AKWBHNSASA-N 0 0 329.799 3.001 10 10 EGCERN COC(=O)[C@H](Cc1cc2ccccc2o1)NCc1cccc(C)c1O ZINC000895866519 1309570734 /nfs/dbraw/zinc/57/07/34/1309570734.db2.gz XKTIHDDMIITXET-KRWDZBQOSA-N 0 0 339.391 3.321 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000896162715 1309724704 /nfs/dbraw/zinc/72/47/04/1309724704.db2.gz GUCWKTLCFJLWPH-ZFWWWQNUSA-N 0 0 333.428 3.317 10 10 EGCERN O=C(C[C@H]1CCC2(CCC2)CO1)NCCCSc1nccs1 ZINC000896334964 1309808474 /nfs/dbraw/zinc/80/84/74/1309808474.db2.gz QLCWVAPKJWECMN-CYBMUJFWSA-N 0 0 340.514 3.481 10 10 EGCERN COCCC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000896981769 1310118578 /nfs/dbraw/zinc/11/85/78/1310118578.db2.gz PLUFGYZZNUNXCE-UHFFFAOYSA-N 0 0 335.425 3.249 10 10 EGCERN Oc1c(Cl)cccc1CNc1nc(C2CCOCC2)ns1 ZINC000897391973 1310319530 /nfs/dbraw/zinc/31/95/30/1310319530.db2.gz HZQLIFXYWINHCW-UHFFFAOYSA-N 0 0 325.821 3.403 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1cncc(C(C)=O)c1 ZINC000897682911 1310432310 /nfs/dbraw/zinc/43/23/10/1310432310.db2.gz BIHCUGAKTKUJKV-UHFFFAOYSA-N 0 0 326.396 3.432 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000897861838 1310496019 /nfs/dbraw/zinc/49/60/19/1310496019.db2.gz QVXUBTWIQQPHCF-SJLPKXTDSA-N 0 0 345.420 3.096 10 10 EGCERN CCCc1ncc(CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC000897920477 1310516054 /nfs/dbraw/zinc/51/60/54/1310516054.db2.gz OSVOOTKVZRKTRM-UHFFFAOYSA-N 0 0 332.381 3.183 10 10 EGCERN O=C(NCc1c(O)cccc1F)Nc1ccccc1N1CCCC1 ZINC000929308459 1328563212 /nfs/dbraw/zinc/56/32/12/1328563212.db2.gz IHLCXDADVYLWKV-UHFFFAOYSA-N 0 0 329.375 3.453 10 10 EGCERN CN(C)c1cc(F)c(CN2Cc3ccccc3N(C)C(=O)C2)cc1F ZINC000857879532 1328614489 /nfs/dbraw/zinc/61/44/89/1328614489.db2.gz HQNWIKGEOOSODC-UHFFFAOYSA-N 0 0 345.393 3.009 10 10 EGCERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929537575 1328628659 /nfs/dbraw/zinc/62/86/59/1328628659.db2.gz PYPDDBXLFZWECD-DLVXIWMQSA-N 0 0 342.483 3.164 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC000857939796 1328634837 /nfs/dbraw/zinc/63/48/37/1328634837.db2.gz QOUJVGVMKAQMSK-CQSZACIVSA-N 0 0 327.428 3.223 10 10 EGCERN COc1cc(N(C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc(OC)c1OC ZINC000929706846 1328673083 /nfs/dbraw/zinc/67/30/83/1328673083.db2.gz IDEKWPIWBPRTBM-FZMZJTMJSA-N 0 0 349.349 3.259 10 10 EGCERN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1nnc2n1CCCCC2 ZINC000858094157 1328680115 /nfs/dbraw/zinc/68/01/15/1328680115.db2.gz DLNBRZPMUZKRLK-GFCCVEGCSA-N 0 0 349.429 3.200 10 10 EGCERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCc3ccccc32)C1 ZINC000858108265 1328684441 /nfs/dbraw/zinc/68/44/41/1328684441.db2.gz ZZGIWBTWBZWCQV-HNNXBMFYSA-N 0 0 328.412 3.189 10 10 EGCERN CN(C)c1cc(F)c(CNc2cccc([C@@H]3CNC(=O)C3)c2)cc1F ZINC000858152782 1328697390 /nfs/dbraw/zinc/69/73/90/1328697390.db2.gz CNUALCWPOYYNIU-ZDUSSCGKSA-N 0 0 345.393 3.246 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2c(Cl)nn(C)c2Cl)cc1 ZINC000858199771 1328710297 /nfs/dbraw/zinc/71/02/97/1328710297.db2.gz RHWBHUCNOZLKCF-UHFFFAOYSA-N 0 0 341.242 3.065 10 10 EGCERN CN(C)c1cc(F)c(CNC[C@H](n2cccn2)C(F)(F)F)cc1F ZINC000858208375 1328711213 /nfs/dbraw/zinc/71/12/13/1328711213.db2.gz AOPDUSOASZNCGE-AWEZNQCLSA-N 0 0 348.319 3.121 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@H]1CCCOC1 ZINC000858543256 1328792452 /nfs/dbraw/zinc/79/24/52/1328792452.db2.gz HJYIIJSAEBTQDD-IAGOWNOFSA-N 0 0 347.503 3.108 10 10 EGCERN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000858592934 1328803701 /nfs/dbraw/zinc/80/37/01/1328803701.db2.gz OXZCXLPMDAYKEU-KKZNHRDASA-N 0 0 332.213 3.369 10 10 EGCERN Cc1cc(N(C)C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1O ZINC000913525961 1319054790 /nfs/dbraw/zinc/05/47/90/1319054790.db2.gz QHUJBTCMMQFAOI-CQSZACIVSA-N 0 0 346.427 3.277 10 10 EGCERN CCN(CC)c1ccc(CNS(=O)(=O)CCCC(C)(F)F)cc1 ZINC000913941450 1319186428 /nfs/dbraw/zinc/18/64/28/1319186428.db2.gz UGDMGGKMIQDBQS-UHFFFAOYSA-N 0 0 348.459 3.388 10 10 EGCERN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCS1 ZINC000914180166 1319258703 /nfs/dbraw/zinc/25/87/03/1319258703.db2.gz GXXVMMWOCKFZMX-GOEBONIOSA-N 0 0 333.501 3.370 10 10 EGCERN C[C@@H](NC(=O)NC[C@]12C[C@H]1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000914400445 1319317965 /nfs/dbraw/zinc/31/79/65/1319317965.db2.gz LNBSYVATNJCQEJ-MDYRTPRTSA-N 0 0 343.471 3.074 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@H]3CCCC34CC4)CC2)cc1 ZINC000858667158 1328824525 /nfs/dbraw/zinc/82/45/25/1328824525.db2.gz MXWZAFIPMBTUGC-GOSISDBHSA-N 0 0 328.456 3.314 10 10 EGCERN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1c1ccsc1 ZINC000858724783 1328841333 /nfs/dbraw/zinc/84/13/33/1328841333.db2.gz SZTUIPSDBDLFHJ-ZWKOTPCHSA-N 0 0 342.464 3.005 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CC(Cc3ccco3)C2)c([N+](=O)[O-])c1 ZINC000858730917 1328844651 /nfs/dbraw/zinc/84/46/51/1328844651.db2.gz NHPRLDCCUCXFFO-ALCCZGGFSA-N 0 0 342.351 3.053 10 10 EGCERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCc1c(O)cccc1F ZINC000916609347 1319683804 /nfs/dbraw/zinc/68/38/04/1319683804.db2.gz LWORUCIHSWHMJV-HNNXBMFYSA-N 0 0 330.359 3.081 10 10 EGCERN Cc1nc2sccn2c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000859421266 1328984903 /nfs/dbraw/zinc/98/49/03/1328984903.db2.gz TYLICCKVGDRHNL-UHFFFAOYSA-N 0 0 328.441 3.009 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCOC2(CCCCC2)C1 ZINC000921533663 1322342960 /nfs/dbraw/zinc/34/29/60/1322342960.db2.gz RGBHGCHKMZVLMA-ZDUSSCGKSA-N 0 0 336.407 3.212 10 10 EGCERN Cc1cnc(Cl)c(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000921559528 1322351950 /nfs/dbraw/zinc/35/19/50/1322351950.db2.gz OBTGZNKEKBSBEW-UHFFFAOYSA-N 0 0 349.837 3.309 10 10 EGCERN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccc(N(C)C)cc1 ZINC000922053574 1322445702 /nfs/dbraw/zinc/44/57/02/1322445702.db2.gz FMCUREFITKOYRO-GFCCVEGCSA-N 0 0 331.391 3.158 10 10 EGCERN CCN(CC)c1ccc(CNCc2noc3c2COCC3)cc1F ZINC000923016750 1322675508 /nfs/dbraw/zinc/67/55/08/1322675508.db2.gz UKQIYMYTMMRKHI-UHFFFAOYSA-N 0 0 333.407 3.022 10 10 EGCERN COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)cc1F ZINC000859697220 1329057064 /nfs/dbraw/zinc/05/70/64/1329057064.db2.gz ABEJHCNSNYVNIU-CYBMUJFWSA-N 0 0 329.375 3.438 10 10 EGCERN O=C(COC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1ccc(O)c(O)c1 ZINC000860150880 1329160412 /nfs/dbraw/zinc/16/04/12/1329160412.db2.gz IBDNNOWYTJOCGY-GJZGRUSLSA-N 0 0 344.338 3.157 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000926308615 1325511538 /nfs/dbraw/zinc/51/15/38/1325511538.db2.gz GUPVMRMWMMVXOC-GXTWGEPZSA-N 0 0 346.349 3.034 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC1CC=CC1 ZINC000926708526 1327676330 /nfs/dbraw/zinc/67/63/30/1327676330.db2.gz KUKPNSGLDIZELA-UHFFFAOYSA-N 0 0 343.471 3.021 10 10 EGCERN C[C@H](NC(=O)[C@@H]1C[C@]1(C)Br)c1ccc(N(C)C)cc1 ZINC000860951109 1329372293 /nfs/dbraw/zinc/37/22/93/1329372293.db2.gz YPBYPTHSSFBEHU-XEGUGMAKSA-N 0 0 325.250 3.103 10 10 EGCERN C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000926948683 1327791375 /nfs/dbraw/zinc/79/13/75/1327791375.db2.gz OKZSBKNIGWUKIY-BYYOYISRSA-N 0 0 332.227 3.154 10 10 EGCERN CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000926956715 1327795593 /nfs/dbraw/zinc/79/55/93/1327795593.db2.gz ZCRWXXNMKZNPHF-CYBMUJFWSA-N 0 0 333.881 3.157 10 10 EGCERN CCOc1ccccc1OCCCC(=O)NCc1c(O)cccc1F ZINC000928710843 1328406196 /nfs/dbraw/zinc/40/61/96/1328406196.db2.gz WUSWMFWFUMEBCJ-UHFFFAOYSA-N 0 0 347.386 3.405 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ocnc1C(F)F ZINC000862002720 1329454575 /nfs/dbraw/zinc/45/45/75/1329454575.db2.gz WFHDVZZWHOSPAC-LLVKDONJSA-N 0 0 337.370 3.348 10 10 EGCERN CC[C@H](C)n1ncc(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC000862026634 1329455860 /nfs/dbraw/zinc/45/58/60/1329455860.db2.gz VSNKXOCHFKVVLS-LBPRGKRZSA-N 0 0 338.411 3.346 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccnn1C1CCCC1 ZINC000862027489 1329456124 /nfs/dbraw/zinc/45/61/24/1329456124.db2.gz USBISBMXGQDKRU-UHFFFAOYSA-N 0 0 336.395 3.182 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCC34CC4)C2)cc1 ZINC000862035306 1329456255 /nfs/dbraw/zinc/45/62/55/1329456255.db2.gz PUEHHVYYAAMAMR-QAPCUYQASA-N 0 0 328.456 3.218 10 10 EGCERN Cc1ncc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 ZINC000862272339 1329472995 /nfs/dbraw/zinc/47/29/95/1329472995.db2.gz NFLMHFUOQWGMRZ-CHWSQXEVSA-N 0 0 333.407 3.026 10 10 EGCERN Cc1ncc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000862272341 1329473093 /nfs/dbraw/zinc/47/30/93/1329473093.db2.gz NFLMHFUOQWGMRZ-STQMWFEESA-N 0 0 333.407 3.026 10 10 EGCERN COC(=O)c1ccc(F)c2c1CN(Cc1cc(F)ccc1O)CC2 ZINC000862468697 1329489398 /nfs/dbraw/zinc/48/93/98/1329489398.db2.gz LXRNKAATGKZACZ-UHFFFAOYSA-N 0 0 333.334 3.015 10 10 EGCERN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1[C@H]1CCCOC1 ZINC000862753764 1329506354 /nfs/dbraw/zinc/50/63/54/1329506354.db2.gz GSOJENPNTRNUHV-KRWDZBQOSA-N 0 0 342.439 3.400 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cnc3onc(C(C)C)c3c2)c1 ZINC000862759918 1329507519 /nfs/dbraw/zinc/50/75/19/1329507519.db2.gz NATOKHDZPWWKHM-UHFFFAOYSA-N 0 0 325.368 3.290 10 10 EGCERN COc1cc(OC)c2c(c1)N(C(=O)/C(C)=C/c1cccnc1)CCC2 ZINC000862775862 1329508304 /nfs/dbraw/zinc/50/83/04/1329508304.db2.gz OGQKIORFCOEQPV-GXDHUFHOSA-N 0 0 338.407 3.482 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1cncnc1 ZINC000863942528 1329590560 /nfs/dbraw/zinc/59/05/60/1329590560.db2.gz ZUEOICFQLSZLBA-OAHLLOKOSA-N 0 0 326.444 3.083 10 10 EGCERN CCN(CC)c1ccc(CNc2cnc(C)c(C(N)=O)c2)cc1F ZINC000865296145 1329684480 /nfs/dbraw/zinc/68/44/80/1329684480.db2.gz RRJNBPOXPDPUSH-UHFFFAOYSA-N 0 0 330.407 3.086 10 10 EGCERN CN(C)c1ccc(/C=C\CNCc2c(Br)cnn2C)cc1 ZINC000865681232 1329728894 /nfs/dbraw/zinc/72/88/94/1329728894.db2.gz UGMOCQYVQYEYOF-PLNGDYQASA-N 0 0 349.276 3.052 10 10 EGCERN COc1ccc(N2CC[C@@H](CNc3cccc(C(C)=O)n3)C2)cc1 ZINC000865887744 1329749108 /nfs/dbraw/zinc/74/91/08/1329749108.db2.gz BUKVTQUOCVLWDC-HNNXBMFYSA-N 0 0 325.412 3.231 10 10 EGCERN C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cccc(C(F)(F)F)c1[O-] ZINC000866447289 1330113592 /nfs/dbraw/zinc/11/35/92/1330113592.db2.gz YWJNISDJTAUNPY-STFADEQLSA-N 0 0 327.346 3.485 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2c3ccccc3CN2C)c1 ZINC000866564206 1330127291 /nfs/dbraw/zinc/12/72/91/1330127291.db2.gz SGVXZCOVZRXYQF-UGSOOPFHSA-N 0 0 340.423 3.016 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1conc1C1CCCC1 ZINC000867301962 1330192457 /nfs/dbraw/zinc/19/24/57/1330192457.db2.gz IFKZQEZVBOXFSK-LLVKDONJSA-N 0 0 330.384 3.104 10 10 EGCERN COc1ccccc1O[C@@H](C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868322350 1330270648 /nfs/dbraw/zinc/27/06/48/1330270648.db2.gz CZJBZBSNQXEAHR-KBPBESRZSA-N 0 0 344.411 3.229 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H]1C(F)F ZINC000868609482 1330299502 /nfs/dbraw/zinc/29/95/02/1330299502.db2.gz LUVRYUIEVCZIAJ-INIZCTEOSA-N 0 0 332.350 3.386 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1O ZINC000868676607 1330312879 /nfs/dbraw/zinc/31/28/79/1330312879.db2.gz ZKWAPSZPEJGBPP-JOQOYGCGSA-N 0 0 341.411 3.068 10 10 EGCERN CO[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868702694 1330319283 /nfs/dbraw/zinc/31/92/83/1330319283.db2.gz NNAUVMOKSBFBAV-XZOAIXRZSA-N 0 0 326.396 3.065 10 10 EGCERN Cc1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001325904670 1388077534 /nfs/dbraw/zinc/07/75/34/1388077534.db2.gz VQZPSFPYQVZNGV-LJQANCHMSA-N 0 0 338.451 3.308 10 10 EGCERN O=C([C@@H]1CCC[C@H](F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001118155397 1371138806 /nfs/dbraw/zinc/13/88/06/1371138806.db2.gz INVKHVYANOOIER-HYVNUMGLSA-N 0 0 335.419 3.428 10 10 EGCERN O=C([C@@H]1CCC[C@@H](F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001118155396 1371139065 /nfs/dbraw/zinc/13/90/65/1371139065.db2.gz INVKHVYANOOIER-DJIMGWMZSA-N 0 0 335.419 3.428 10 10 EGCERN CC1(Nc2nc(CC(=O)NCc3ccccc3O)cs2)CCCC1 ZINC001123665461 1372548893 /nfs/dbraw/zinc/54/88/93/1372548893.db2.gz YVFKQNHYMVFDHG-UHFFFAOYSA-N 0 0 345.468 3.452 10 10 EGCERN O=C(NCCCSc1nccs1)NCc1cc(C(F)F)on1 ZINC001123735667 1372572595 /nfs/dbraw/zinc/57/25/95/1372572595.db2.gz WTXJQKWEYAJFMT-UHFFFAOYSA-N 0 0 348.400 3.050 10 10 EGCERN C=Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001211573120 1372583369 /nfs/dbraw/zinc/58/33/69/1372583369.db2.gz SMYMCLKWYJEGRX-AWEZNQCLSA-N 0 0 330.453 3.435 10 10 EGCERN CC[C@H](C)n1ncc(C(=O)NCc2cccc(O)c2O)c1C1CC1 ZINC001123977714 1372644803 /nfs/dbraw/zinc/64/48/03/1372644803.db2.gz LXYCWAURSHTJMC-NSHDSACASA-N 0 0 329.400 3.073 10 10 EGCERN C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001128248161 1373240698 /nfs/dbraw/zinc/24/06/98/1373240698.db2.gz YJYBFUQEXNVUGO-XOKHGSTOSA-N 0 0 346.471 3.298 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2cccc3ccncc32)cc1 ZINC001130547997 1373558585 /nfs/dbraw/zinc/55/85/85/1373558585.db2.gz SHINBLBWRKTHLL-UHFFFAOYSA-N 0 0 349.434 3.452 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCc2cccnc21 ZINC001136025404 1377303053 /nfs/dbraw/zinc/30/30/53/1377303053.db2.gz IYXMLHLMMXRJMX-LJQANCHMSA-N 0 0 335.451 3.370 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cc(Cl)c(F)cc2N)cc1F ZINC001136454355 1377394982 /nfs/dbraw/zinc/39/49/82/1377394982.db2.gz VFLUGKQVVIZUFU-UHFFFAOYSA-N 0 0 339.773 3.196 10 10 EGCERN CCN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc2ccccc2c1 ZINC001136490343 1377398853 /nfs/dbraw/zinc/39/88/53/1377398853.db2.gz AATJQVYTKDZHBA-UHFFFAOYSA-N 0 0 331.375 3.396 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C[C@@H]3CC=CCC3)CC2)cc1 ZINC001137658473 1377584481 /nfs/dbraw/zinc/58/44/81/1377584481.db2.gz JFUFXBRXSFIUOW-QGZVFWFLSA-N 0 0 328.456 3.480 10 10 EGCERN COc1ccc(CNC(=O)c2ccsc2Br)c(O)c1 ZINC001139031957 1377820422 /nfs/dbraw/zinc/82/04/22/1377820422.db2.gz HPYBVJBERVZTLT-UHFFFAOYSA-N 0 0 342.214 3.155 10 10 EGCERN O=C(Nc1cccc2c1CCO2)c1cc2cc(O)c(O)cc2s1 ZINC001139851556 1377963187 /nfs/dbraw/zinc/96/31/87/1377963187.db2.gz WDFDLKAVZADVTJ-UHFFFAOYSA-N 0 0 327.361 3.500 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCC=C(c3ccccn3)C2)cc1 ZINC001141387326 1378315090 /nfs/dbraw/zinc/31/50/90/1378315090.db2.gz KMRKXKPBDUMXJC-UHFFFAOYSA-N 0 0 335.367 3.174 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2ccccc2O1 ZINC001142410978 1378440732 /nfs/dbraw/zinc/44/07/32/1378440732.db2.gz YJUSXTHJALTLDJ-FQEVSTJZSA-N 0 0 338.451 3.495 10 10 EGCERN CN(c1ccc(CNC(=O)c2ccc(O)cn2)cc1)C1CCCCC1 ZINC001142528220 1378454724 /nfs/dbraw/zinc/45/47/24/1378454724.db2.gz NCVKQXQUDHXCQY-UHFFFAOYSA-N 0 0 339.439 3.486 10 10 EGCERN Cc1cc(CC(=O)N[C@@H](CO)CC(C)C)c(C)n1-c1ccccc1 ZINC001146260122 1378805313 /nfs/dbraw/zinc/80/53/13/1378805313.db2.gz NEZCWQYMVFCNSP-GOSISDBHSA-N 0 0 328.456 3.160 10 10 EGCERN COCC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccco1 ZINC001152269829 1379896788 /nfs/dbraw/zinc/89/67/88/1379896788.db2.gz VJAILEUYNOQZTB-NSHDSACASA-N 0 0 347.392 3.413 10 10 EGCERN CC(C)c1ccc(C(=O)NCc2c(O)cccc2O)cc1[N+](=O)[O-] ZINC001156885688 1380717641 /nfs/dbraw/zinc/71/76/41/1380717641.db2.gz LZEREYZLGMQTLS-UHFFFAOYSA-N 0 0 330.340 3.059 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccccc1NCC(F)(F)F ZINC001156885500 1380717668 /nfs/dbraw/zinc/71/76/68/1380717668.db2.gz HLFPEHDUKJCHGC-UHFFFAOYSA-N 0 0 340.301 3.002 10 10 EGCERN Cc1cc(CNC(=O)c2cnc(C)nc2C)c(C)n1-c1ccccc1 ZINC001287661245 1381320131 /nfs/dbraw/zinc/32/01/31/1381320131.db2.gz QLFUKDNAZVVVIF-UHFFFAOYSA-N 0 0 334.423 3.431 10 10 EGCERN CN(C)c1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)nc1 ZINC001292351279 1382183915 /nfs/dbraw/zinc/18/39/15/1382183915.db2.gz RHIXSIOBVUVNPK-UHFFFAOYSA-N 0 0 329.381 3.026 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Oc2ccccn2)cc1 ZINC001293632187 1382321105 /nfs/dbraw/zinc/32/11/05/1382321105.db2.gz YVPFNWUPEQISGV-UHFFFAOYSA-N 0 0 336.347 3.466 10 10 EGCERN CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001293683163 1382334837 /nfs/dbraw/zinc/33/48/37/1382334837.db2.gz ZFHWXLGNLXXCHZ-DLBZAZTESA-N 0 0 335.444 3.083 10 10 EGCERN CC(=O)c1cc(C(=O)NCc2ccc3cccnc3c2O)cs1 ZINC001162612065 1382808792 /nfs/dbraw/zinc/80/87/92/1382808792.db2.gz BHUDZASVPMLBAU-UHFFFAOYSA-N 0 0 326.377 3.135 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[C@@H](O)C1 ZINC001163232156 1383001215 /nfs/dbraw/zinc/00/12/15/1383001215.db2.gz PFDVRVNCIUGVMV-XJKSGUPXSA-N 0 0 340.379 3.399 10 10 EGCERN COc1ccc(CNC(=O)c2c(F)ccc3ccncc32)c(O)c1 ZINC001296969125 1383101422 /nfs/dbraw/zinc/10/14/22/1383101422.db2.gz YECQPPFOXJXPBI-UHFFFAOYSA-N 0 0 326.327 3.018 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001297562330 1383185467 /nfs/dbraw/zinc/18/54/67/1383185467.db2.gz HNXSQPHUATYMHY-GFCCVEGCSA-N 0 0 349.383 3.206 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@]2(O)CCC[C@@H]2C)cc1 ZINC001298562478 1383410368 /nfs/dbraw/zinc/41/03/68/1383410368.db2.gz HMHHFGJNCOWZLT-VBKZILBWSA-N 0 0 326.440 3.375 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cnn(-c3ccccc3Cl)c2)c1 ZINC001167293970 1383587111 /nfs/dbraw/zinc/58/71/11/1383587111.db2.gz WSPQMFJTYNDFLR-UHFFFAOYSA-N 0 0 341.798 3.470 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1cccc2c1OC(F)(F)O2 ZINC001300395719 1383662011 /nfs/dbraw/zinc/66/20/11/1383662011.db2.gz CCKGASTZDPQLOR-UHFFFAOYSA-N 0 0 341.697 3.297 10 10 EGCERN Cc1ccc(C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)c(O)c1O ZINC001301810132 1383730861 /nfs/dbraw/zinc/73/08/61/1383730861.db2.gz QNWDNPRZQYBIOG-MQMHXKEQSA-N 0 0 329.421 3.459 10 10 EGCERN CC(C)(C)OC(=O)CCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001302408269 1383752339 /nfs/dbraw/zinc/75/23/39/1383752339.db2.gz XFTQRGGINASIBR-UHFFFAOYSA-N 0 0 348.403 3.091 10 10 EGCERN Cc1ccccc1-c1nc(C(=O)NCc2cc(O)ccc2O)cs1 ZINC001303223101 1383787919 /nfs/dbraw/zinc/78/79/19/1383787919.db2.gz ACOFNJLNGJXWQR-UHFFFAOYSA-N 0 0 340.404 3.460 10 10 EGCERN O=C(Cc1csc(-c2ccccc2)n1)NCc1cc(O)ccc1O ZINC001303223336 1383788187 /nfs/dbraw/zinc/78/81/87/1383788187.db2.gz KNXQQESKNDCCME-UHFFFAOYSA-N 0 0 340.404 3.080 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](OC)[C@H](C)CC ZINC001306080590 1383871864 /nfs/dbraw/zinc/87/18/64/1383871864.db2.gz NRLSKUZEIHYDKH-PBHICJAKSA-N 0 0 346.475 3.244 10 10 EGCERN CCc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001306125522 1383877526 /nfs/dbraw/zinc/87/75/26/1383877526.db2.gz PVVPCWZOADBPHQ-GOEBONIOSA-N 0 0 341.503 3.498 10 10 EGCERN CCc1nnc(N2CCC[C@H]2CC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001306175488 1383883038 /nfs/dbraw/zinc/88/30/38/1383883038.db2.gz HKCCBFDQAXPYBM-OAHLLOKOSA-N 0 0 345.466 3.473 10 10 EGCERN CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C[C@@H]1O ZINC001307103558 1383941032 /nfs/dbraw/zinc/94/10/32/1383941032.db2.gz LACZLBAMKTXCRB-SJORKVTESA-N 0 0 340.379 3.397 10 10 EGCERN Oc1c(CNc2ncncc2Br)ccc2cccnc21 ZINC001307145281 1383944908 /nfs/dbraw/zinc/94/49/08/1383944908.db2.gz KVMVUOFNDCCPDD-UHFFFAOYSA-N 0 0 331.173 3.105 10 10 EGCERN Cc1ccc(O)c(CNc2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC001307170114 1383949526 /nfs/dbraw/zinc/94/95/26/1383949526.db2.gz ULKXWYMKPABVQA-UHFFFAOYSA-N 0 0 331.379 3.417 10 10 EGCERN Cc1cc(CN2CCNC(=O)[C@H]2CC2CCCCC2)ccc1N(C)C ZINC001307853507 1384042895 /nfs/dbraw/zinc/04/28/95/1384042895.db2.gz BJAFABJDQWWXSO-HXUWFJFHSA-N 0 0 343.515 3.332 10 10 EGCERN CN(C)C(=O)OCCN(C)c1ccc(OCc2ccccc2)cc1 ZINC001169343874 1384138285 /nfs/dbraw/zinc/13/82/85/1384138285.db2.gz YRBRDODCZKTYIQ-UHFFFAOYSA-N 0 0 328.412 3.400 10 10 EGCERN C[C@@H]1CCC[C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001313028600 1384388853 /nfs/dbraw/zinc/38/88/53/1384388853.db2.gz JTJXLTPHWNKCNL-VQIMIIECSA-N 0 0 345.487 3.386 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC001313149087 1384399724 /nfs/dbraw/zinc/39/97/24/1384399724.db2.gz LYZQAHLOBQMGBM-HDMKZQKVSA-N 0 0 333.476 3.240 10 10 EGCERN C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)n1)c1ccccc1O ZINC001171722889 1384613947 /nfs/dbraw/zinc/61/39/47/1384613947.db2.gz FCMFYNSOWOFYOR-LLVKDONJSA-N 0 0 342.786 3.117 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCOC[C@H]2C)c1 ZINC001331542533 1389791225 /nfs/dbraw/zinc/79/12/25/1389791225.db2.gz PWEJNECWOSNTJF-YJYMSZOUSA-N 0 0 340.423 3.061 10 10 EGCERN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc2cc(O)c(O)cc2s1 ZINC001332318410 1390085363 /nfs/dbraw/zinc/08/53/63/1390085363.db2.gz PINWLTQXXWPJDZ-KXUCPTDWSA-N 0 0 339.363 3.476 10 10 EGCERN CCCCC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001333459302 1390309245 /nfs/dbraw/zinc/30/92/45/1390309245.db2.gz TXJKSEWCOWUVLA-UHFFFAOYSA-N 0 0 334.435 3.249 10 10 EGCERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)n1[C@H]1CCOC1 ZINC001334909994 1390618675 /nfs/dbraw/zinc/61/86/75/1390618675.db2.gz WUNLWTCCDFYTSL-SFHVURJKSA-N 0 0 341.455 3.062 10 10 EGCERN O=C(NCCCCOc1ccccc1)NCc1c(O)cccc1F ZINC001335122127 1390644796 /nfs/dbraw/zinc/64/47/96/1390644796.db2.gz XJUYEXPGGRZGGR-UHFFFAOYSA-N 0 0 332.375 3.190 10 10 EGCERN CN(C)c1ccc(/C=C\C[NH2+]C[C@H](CCC(=O)[O-])C(F)(F)F)cc1 ZINC001350654528 1391499575 /nfs/dbraw/zinc/49/95/75/1391499575.db2.gz ZXTJOEZCLNOLKA-NQHOJNORSA-N 0 0 344.377 3.399 10 10 EGCERN COCC[C@H]1CCN(C(=O)/C=C(/C)c2cnccn2)c2ccccc21 ZINC001350942069 1391564629 /nfs/dbraw/zinc/56/46/29/1391564629.db2.gz QALDKRBYWRYHRI-UGEDRFTOSA-N 0 0 337.423 3.437 10 10 EGCERN COc1cc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC001351738623 1391681840 /nfs/dbraw/zinc/68/18/40/1391681840.db2.gz QKACSRVEEGYXOB-UHFFFAOYSA-N 0 0 338.329 3.109 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CCOc2ccccc21 ZINC001353246962 1391973096 /nfs/dbraw/zinc/97/30/96/1391973096.db2.gz WXADNSTTZRZNOX-NRFANRHFSA-N 0 0 338.451 3.418 10 10 EGCERN C[C@@H](CSC(F)(F)F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001354371789 1392140816 /nfs/dbraw/zinc/14/08/16/1392140816.db2.gz SGTLHAPJXKEXRT-JTQLQIEISA-N 0 0 348.390 3.367 10 10 EGCERN Cc1ncccc1/C=C/C(=O)N(C)c1ccc(Br)cn1 ZINC001354740873 1392165768 /nfs/dbraw/zinc/16/57/68/1392165768.db2.gz KPSYKGJBCBOTKS-VMPITWQZSA-N 0 0 332.201 3.224 10 10 EGCERN Cn1cnc(/C=C/C(=O)N2CCCc3cc(Br)ccc32)c1 ZINC001355053930 1392189762 /nfs/dbraw/zinc/18/97/62/1392189762.db2.gz QHZIFZUZAHDSJL-FNORWQNLSA-N 0 0 346.228 3.175 10 10 EGCERN CCc1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694661877 1406060603 /nfs/dbraw/zinc/06/06/03/1406060603.db2.gz JHQXQCGTNFQCNT-KBPBESRZSA-N 0 0 345.466 3.186 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1CC1CC1 ZINC001696701019 1406119309 /nfs/dbraw/zinc/11/93/09/1406119309.db2.gz UQTCDSVOSPWXMV-UHFFFAOYSA-N 0 0 349.438 3.016 10 10 EGCERN CC[C@](C)(O)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001708333944 1417399065 /nfs/dbraw/zinc/39/90/65/1417399065.db2.gz HDHUSJJWUPDUAD-IBGZPJMESA-N 0 0 346.475 3.079 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)SC ZINC001709038517 1417415667 /nfs/dbraw/zinc/41/56/67/1417415667.db2.gz LCSNHUIQAMDIOR-UHFFFAOYSA-N 0 0 334.489 3.324 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCS1 ZINC001764722193 1441391283 /nfs/dbraw/zinc/39/12/83/1441391283.db2.gz ANQZDPIUNABKEG-CQSZACIVSA-N 0 0 332.473 3.078 10 10 EGCERN CN(C)c1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000006908182 201705268 /nfs/dbraw/zinc/70/52/68/201705268.db2.gz WZARJHUORXAWOS-CSKARUKUSA-N 0 0 336.351 3.068 10 10 EGCERN Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000026858666 202149202 /nfs/dbraw/zinc/14/92/02/202149202.db2.gz ORYIJHQLVLSPRM-UHFFFAOYSA-N 0 0 346.858 3.387 10 10 EGCERN Nc1ccc(COc2ccc(I)cc2)cc1 ZINC000036904107 202333545 /nfs/dbraw/zinc/33/35/45/202333545.db2.gz QTHLSVSQCHMRDD-UHFFFAOYSA-N 0 0 325.149 3.452 10 10 EGCERN Cc1c(O)cccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000095978642 203782857 /nfs/dbraw/zinc/78/28/57/203782857.db2.gz AOOYZBOHBWHDEP-INIZCTEOSA-N 0 0 341.407 3.228 10 10 EGCERN COC(=O)[C@]1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1 ZINC000014719992 453542694 /nfs/dbraw/zinc/54/26/94/453542694.db2.gz YFDKIHAZVQFLRC-HXUWFJFHSA-N 0 0 338.359 3.401 10 10 endogenous,in-man EGCERN CC1=NN(c2nc3ccccc3s2)C(=O)C1=CNC1CCCC1 ZINC000015930355 453589772 /nfs/dbraw/zinc/58/97/72/453589772.db2.gz IUQKOCUZPLAARM-RAXLEYEMSA-N 0 0 326.425 3.435 10 10 EGCERN CC[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)C ZINC000066382865 453841114 /nfs/dbraw/zinc/84/11/14/453841114.db2.gz QVAKKGZROJAVNJ-IBGZPJMESA-N 0 0 347.503 3.129 10 10 EGCERN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000058268744 454176966 /nfs/dbraw/zinc/17/69/66/454176966.db2.gz ZGSIRPXWLSXNAX-FQEVSTJZSA-N 0 0 337.423 3.459 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000089782872 454197953 /nfs/dbraw/zinc/19/79/53/454197953.db2.gz QDYJQBCDOKCQII-ZWKOTPCHSA-N 0 0 346.358 3.449 10 10 EGCERN C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1COc2ccccc21 ZINC000163308065 454838531 /nfs/dbraw/zinc/83/85/31/454838531.db2.gz UPRBMRHEFORTNG-BBRMVZONSA-N 0 0 326.396 3.098 10 10 EGCERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000191412057 455484340 /nfs/dbraw/zinc/48/43/40/455484340.db2.gz ITZRGJNLAFXFBG-QFBILLFUSA-N 0 0 330.472 3.450 10 10 EGCERN Cc1nnc(CN2CCCc3cc(OC(F)F)ccc32)n1C1CC1 ZINC000154961771 454947669 /nfs/dbraw/zinc/94/76/69/454947669.db2.gz HFHZZVSCCQTWEG-UHFFFAOYSA-N 0 0 334.370 3.476 10 10 EGCERN Oc1ccccc1C[N@@H+](Cc1cnn2ccccc12)C[C@H]1CCCO1 ZINC000179570737 455059909 /nfs/dbraw/zinc/05/99/09/455059909.db2.gz VTQUVUYJLHXPQJ-GOSISDBHSA-N 0 0 337.423 3.221 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)Cc1noc(C)n1 ZINC000181821409 455385766 /nfs/dbraw/zinc/38/57/66/455385766.db2.gz PBJRFXJBVBXBIT-UHFFFAOYSA-N 0 0 338.411 3.366 10 10 EGCERN COc1cc(Cl)cc(CN2CCO[C@@H](c3nccs3)C2)c1O ZINC000184687076 455427962 /nfs/dbraw/zinc/42/79/62/455427962.db2.gz YKRBWAHUYCUZDK-CYBMUJFWSA-N 0 0 340.832 3.084 10 10 EGCERN C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000185472858 455562763 /nfs/dbraw/zinc/56/27/63/455562763.db2.gz RMFFRMIVBBJUTO-VCBZYWHSSA-N 0 0 343.446 3.488 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000247170332 455569196 /nfs/dbraw/zinc/56/91/96/455569196.db2.gz YLDOEDKPJMIWDG-KZNAEPCWSA-N 0 0 345.487 3.146 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247301190 455584730 /nfs/dbraw/zinc/58/47/30/455584730.db2.gz HVUAVASGBTVWIN-KVSKMBFKSA-N 0 0 344.455 3.028 10 10 EGCERN CCOc1ccc(O)c(CN2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC000185612763 455585152 /nfs/dbraw/zinc/58/51/52/455585152.db2.gz CLBIDDDDGZZEFG-AWEZNQCLSA-N 0 0 347.484 3.126 10 10 EGCERN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000193022166 455736242 /nfs/dbraw/zinc/73/62/42/455736242.db2.gz DCADCNZHTNNAGE-UWVGGRQHSA-N 0 0 346.258 3.153 10 10 EGCERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(F)c[nH]2)cc1 ZINC000292869671 455764148 /nfs/dbraw/zinc/76/41/48/455764148.db2.gz BFWFIZHQGFGPOT-KRWDZBQOSA-N 0 0 345.418 3.041 10 10 EGCERN COc1ccc([C@@H](CCO)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000293547674 455790284 /nfs/dbraw/zinc/79/02/84/455790284.db2.gz GQDNTVINVPJVTP-MRXNPFEDSA-N 0 0 339.794 3.407 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000293753071 455796288 /nfs/dbraw/zinc/79/62/88/455796288.db2.gz YGKLAXMWUQJQNT-ZDUSSCGKSA-N 0 0 327.758 3.017 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000294211073 455808892 /nfs/dbraw/zinc/80/88/92/455808892.db2.gz LIAQTZPGFFKSIM-SECBINFHSA-N 0 0 340.748 3.159 10 10 EGCERN CCOc1cccc(CNc2ccc3c(c2)CN(C)C(=O)N3)c1O ZINC000187486755 455916049 /nfs/dbraw/zinc/91/60/49/455916049.db2.gz SAESWIMSKJDOQP-UHFFFAOYSA-N 0 0 327.384 3.380 10 10 EGCERN COC(=O)c1cc(NCc2ccc(N(C)C)cc2C)ccc1[N+](=O)[O-] ZINC000301295088 456083403 /nfs/dbraw/zinc/08/34/03/456083403.db2.gz OWZZVCDIGQGJKQ-UHFFFAOYSA-N 0 0 343.383 3.368 10 10 EGCERN Oc1ccc(Br)cc1CN1CCOC[C@@H]1CC(F)F ZINC000289959809 456196058 /nfs/dbraw/zinc/19/60/58/456196058.db2.gz YZMNIEIFWZZZDT-NSHDSACASA-N 0 0 336.176 3.011 10 10 EGCERN C/C(=C\C(C)(C)C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000274594828 456262256 /nfs/dbraw/zinc/26/22/56/456262256.db2.gz IVLARCWWVJHUIA-JQIJEIRASA-N 0 0 330.472 3.474 10 10 EGCERN COc1cc2c(cc1F)ncnc2N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000302498364 456349964 /nfs/dbraw/zinc/34/99/64/456349964.db2.gz UVNJHXCPGCMZAN-SNVBAGLBSA-N 0 0 343.358 3.232 10 10 EGCERN Cc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1F ZINC000302722979 456382998 /nfs/dbraw/zinc/38/29/98/456382998.db2.gz MZSNEBRVYZWJHO-UHFFFAOYSA-N 0 0 345.330 3.010 10 10 EGCERN Cc1cc(C(=O)N(C(C)C)[C@@H]2CCOC2)c(C)n1-c1ccccn1 ZINC000291746385 456741645 /nfs/dbraw/zinc/74/16/45/456741645.db2.gz YADAEZMIMAVUDR-MRXNPFEDSA-N 0 0 327.428 3.129 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CCOCC[C@@H]3C)ccc21 ZINC000367637459 457969638 /nfs/dbraw/zinc/96/96/38/457969638.db2.gz XWLLJMLFDFEJQR-AWEZNQCLSA-N 0 0 344.455 3.156 10 10 EGCERN Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(Cl)cc(C)c1O ZINC000367748902 457977636 /nfs/dbraw/zinc/97/76/36/457977636.db2.gz KNKUAMAKLNILNW-HNNXBMFYSA-N 0 0 335.835 3.267 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000368085464 458009442 /nfs/dbraw/zinc/00/94/42/458009442.db2.gz UKTPHHPIGSGVPX-AEFFLSMTSA-N 0 0 328.368 3.310 10 10 EGCERN CC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(F)cc1[O-] ZINC000375788769 458064952 /nfs/dbraw/zinc/06/49/52/458064952.db2.gz JUAQQSILSNGWDT-MRXNPFEDSA-N 0 0 326.375 3.353 10 10 EGCERN CC1(C)C[C@H](C(=O)NCc2ccc3cccnc3c2O)C(C)(C)O1 ZINC000529503764 459829948 /nfs/dbraw/zinc/82/99/48/459829948.db2.gz WJWVNEXUPIDGHD-CQSZACIVSA-N 0 0 328.412 3.150 10 10 EGCERN CC(C)(C)c1nnc2ccc(NCc3ccc(N4CC=CC4)cc3)nn21 ZINC000302560796 547444972 /nfs/dbraw/zinc/44/49/72/547444972.db2.gz LKXAKWHFQAMMEX-UHFFFAOYSA-N 0 0 348.454 3.410 10 10 EGCERN C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)n1cccc1 ZINC000729527215 574868034 /nfs/dbraw/zinc/86/80/34/574868034.db2.gz NDFBCLUPSGABJD-SJORKVTESA-N 0 0 341.455 3.153 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000732049228 575233875 /nfs/dbraw/zinc/23/38/75/575233875.db2.gz HNSRUKVLVKZTOI-DYLGSBMWSA-N 0 0 342.351 3.368 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cc1 ZINC000735832322 575720842 /nfs/dbraw/zinc/72/08/42/575720842.db2.gz OZYFGKKMZHTTDD-OAHLLOKOSA-N 0 0 340.345 3.137 10 10 EGCERN C[C@H]1CN(Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)C[C@H](C)O1 ZINC000738544248 576335908 /nfs/dbraw/zinc/33/59/08/576335908.db2.gz XUULIOAYMFCYNF-STQMWFEESA-N 0 0 346.452 3.315 10 10 EGCERN Cc1cc(C(=O)CN(C)CC[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000744406698 576827449 /nfs/dbraw/zinc/82/74/49/576827449.db2.gz NQLAIGVXGRIOMN-CQSZACIVSA-N 0 0 332.419 3.119 10 10 EGCERN CN(C)c1ccc(CN(C)S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000007146361 1291062097 /nfs/dbraw/zinc/06/20/97/1291062097.db2.gz MZIAXMLVSARWRS-BUHFOSPRSA-N 0 0 330.453 3.185 10 10 EGCERN COc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)cc1OC ZINC000087299393 1292743315 /nfs/dbraw/zinc/74/33/15/1292743315.db2.gz VQVMLBACWVRCER-UHFFFAOYSA-N 0 0 342.439 3.317 10 10 EGCERN COc1ccc(F)c(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000088409060 1292750656 /nfs/dbraw/zinc/75/06/56/1292750656.db2.gz HBMXIUSJZPBBRT-SNVBAGLBSA-N 0 0 334.347 3.431 10 10 EGCERN CN(C)c1ncccc1NC(=O)/C=C\c1ccc2c(c1)CCCN2C ZINC000098055621 1292962235 /nfs/dbraw/zinc/96/22/35/1292962235.db2.gz HQCQLXFLLZXNTP-LUAWRHEFSA-N 0 0 336.439 3.182 10 10 EGCERN O=C(/C=C/C1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000117764914 1293224751 /nfs/dbraw/zinc/22/47/51/1293224751.db2.gz HMCAIRDEGFWMOM-DHZHZOJOSA-N 0 0 328.456 3.276 10 10 EGCERN O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)ccc(F)c1F ZINC000132441573 1293718885 /nfs/dbraw/zinc/71/88/85/1293718885.db2.gz PDHHUXHOCWTUBR-UHFFFAOYSA-N 0 0 336.313 3.193 10 10 EGCERN COc1ccc(/C=C(\C)C(=O)NCCc2ccc(O)c(O)c2)cc1F ZINC000183313942 1295110839 /nfs/dbraw/zinc/11/08/39/1295110839.db2.gz LORKEUHPXDPHRE-FMIVXFBMSA-N 0 0 345.370 3.008 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)NOCc2ccc(F)cc2)c1 ZINC000184653042 1295207774 /nfs/dbraw/zinc/20/77/74/1295207774.db2.gz LYBBLFAMIOSXJW-LLVKDONJSA-N 0 0 334.347 3.032 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2ccnc2s1 ZINC000188247795 1295446423 /nfs/dbraw/zinc/44/64/23/1295446423.db2.gz QNVVGZBNUDBTRP-UHFFFAOYSA-N 0 0 328.441 3.124 10 10 EGCERN CCOc1ccc(OC(C)(C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198547 1296268412 /nfs/dbraw/zinc/26/84/12/1296268412.db2.gz JNONTCVWDXFITF-UHFFFAOYSA-N 0 0 341.407 3.491 10 10 EGCERN CN(C)[C@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)C(F)(F)F ZINC000922754470 1322611001 /nfs/dbraw/zinc/61/10/01/1322611001.db2.gz KPOQNCYKPGCIMB-LLVKDONJSA-N 0 0 328.737 3.157 10 10 EGCERN C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872110228 1296736860 /nfs/dbraw/zinc/73/68/60/1296736860.db2.gz FKBLKSVJDWJRQC-ZETCQYMHSA-N 0 0 344.236 3.123 10 10 EGCERN CC(C)C[NH+]1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715756174 1298287172 /nfs/dbraw/zinc/28/71/72/1298287172.db2.gz ASTMFYHZBNSRFO-UHFFFAOYSA-N 0 0 345.256 3.067 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000876298326 1298686167 /nfs/dbraw/zinc/68/61/67/1298686167.db2.gz NOXXCEWJEQFHJM-DLBZAZTESA-N 0 0 332.444 3.129 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000889295542 1304439919 /nfs/dbraw/zinc/43/99/19/1304439919.db2.gz MABXUJAYSTVOHJ-LQDVMPOASA-N 0 0 332.469 3.152 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC(F)(F)C(F)F ZINC000891687183 1305134746 /nfs/dbraw/zinc/13/47/46/1305134746.db2.gz SAQLGJYUQXYLSV-LLVKDONJSA-N 0 0 334.357 3.399 10 10 EGCERN C[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275750 1309267156 /nfs/dbraw/zinc/26/71/56/1309267156.db2.gz OXRCCEBSYNDHST-YGRLFVJLSA-N 0 0 346.652 3.276 10 10 EGCERN COc1ccc(N2CCC(Nc3ccc4c(c3)NC(=O)C4)CC2)cc1 ZINC000895903218 1309586794 /nfs/dbraw/zinc/58/67/94/1309586794.db2.gz UCZOEFMBSFQLFS-UHFFFAOYSA-N 0 0 337.423 3.271 10 10 EGCERN C[C@H]1C[C@@H]1c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 ZINC000895991585 1309636085 /nfs/dbraw/zinc/63/60/85/1309636085.db2.gz WESXSUFLXAAUGW-CBAPKCEASA-N 0 0 329.381 3.411 10 10 EGCERN COc1cccc(CNC(=O)[C@@H](c2ccncc2)C2CCCC2)c1O ZINC000896115583 1309706739 /nfs/dbraw/zinc/70/67/39/1309706739.db2.gz GCIZYRVVJLYUIE-GOSISDBHSA-N 0 0 340.423 3.386 10 10 EGCERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CCOCC1 ZINC000896789112 1310014828 /nfs/dbraw/zinc/01/48/28/1310014828.db2.gz BLGBPLHSOMBHSG-GFCCVEGCSA-N 0 0 335.425 3.248 10 10 EGCERN C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO[C@H]1C1CC1 ZINC000897414359 1310328277 /nfs/dbraw/zinc/32/82/77/1310328277.db2.gz YOJZDXPPRDEWGQ-WMZOPIPTSA-N 0 0 347.436 3.248 10 10 EGCERN CN(CC1(O)CCCCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897453224 1310341107 /nfs/dbraw/zinc/34/11/07/1310341107.db2.gz GMHDQFXDJQDCBO-UHFFFAOYSA-N 0 0 349.452 3.470 10 10 EGCERN CC(C)O[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898269298 1310654120 /nfs/dbraw/zinc/65/41/20/1310654120.db2.gz GHWLWYGRKRBLLG-LBPRGKRZSA-N 0 0 335.425 3.342 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000929406670 1328589907 /nfs/dbraw/zinc/58/99/07/1328589907.db2.gz WYWNWLKVLMNZDW-LSDHHAIUSA-N 0 0 344.377 3.259 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1CC=CCC1 ZINC000929537676 1328629052 /nfs/dbraw/zinc/62/90/52/1328629052.db2.gz RRSGHHZCEOMVOW-KRWDZBQOSA-N 0 0 328.456 3.228 10 10 EGCERN CCN(CCOC1CCSCC1)c1ccc(OC)c(OC)c1 ZINC000929896560 1328733063 /nfs/dbraw/zinc/73/30/63/1328733063.db2.gz DVCGEMMPUJPMCV-UHFFFAOYSA-N 0 0 325.474 3.442 10 10 EGCERN Oc1ccccc1CN(Cc1c(F)cncc1F)C[C@H]1CCCO1 ZINC000929971195 1328752966 /nfs/dbraw/zinc/75/29/66/1328752966.db2.gz NPLSFYFJEYNOGJ-CQSZACIVSA-N 0 0 334.366 3.247 10 10 EGCERN C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(F)cc(F)c1[O-] ZINC000858528812 1328789280 /nfs/dbraw/zinc/78/92/80/1328789280.db2.gz FQOLIWYODMSZFS-QLJPJBMISA-N 0 0 332.350 3.148 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](c3cc(C)ccn3)C2)cc1OC ZINC000858615309 1328811169 /nfs/dbraw/zinc/81/11/69/1328811169.db2.gz RZPMZSCGDZMXCO-CYBMUJFWSA-N 0 0 343.383 3.309 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cc(OC)ccc2O)cc1 ZINC000916503149 1319662186 /nfs/dbraw/zinc/66/21/86/1319662186.db2.gz UZYORLMVJSHCRD-UHFFFAOYSA-N 0 0 328.412 3.177 10 10 EGCERN C[C@@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000858787412 1328861366 /nfs/dbraw/zinc/86/13/66/1328861366.db2.gz CZZJIWZDCSZEEU-STQMWFEESA-N 0 0 344.377 3.289 10 10 EGCERN CC(C)(C)Oc1cccc(CNC(=O)NCc2c(O)cccc2F)n1 ZINC000921735788 1322387239 /nfs/dbraw/zinc/38/72/39/1322387239.db2.gz BNLAIWPKUQZQLO-UHFFFAOYSA-N 0 0 347.390 3.103 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000923456851 1322754772 /nfs/dbraw/zinc/75/47/72/1322754772.db2.gz ZNLMPPRREJCAKZ-ZTFRIQLXSA-N 0 0 346.789 3.322 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)NC1CC(CC(=O)OC)C1 ZINC000924930437 1323216803 /nfs/dbraw/zinc/21/68/03/1323216803.db2.gz SVNNUQKDGIVTFA-UHFFFAOYSA-N 0 0 348.443 3.046 10 10 EGCERN Cc1cc(C(=O)NCc2ccccc2O)c(C)n1C[C@H]1CCCOC1 ZINC000860232952 1329180089 /nfs/dbraw/zinc/18/00/89/1329180089.db2.gz GPJRJFSPZCMFFQ-MRXNPFEDSA-N 0 0 342.439 3.167 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)OCc2ccccc2C)c1 ZINC000860241079 1329181847 /nfs/dbraw/zinc/18/18/47/1329181847.db2.gz GMURHUQDBMPSGR-LSDHHAIUSA-N 0 0 343.423 3.492 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@]12C[C@@H]1CCCC2 ZINC000925177497 1325072238 /nfs/dbraw/zinc/07/22/38/1325072238.db2.gz NKFRTKBCMJYHDE-SCLBCKFNSA-N 0 0 348.830 3.390 10 10 EGCERN CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000927131740 1327883363 /nfs/dbraw/zinc/88/33/63/1327883363.db2.gz QPNPDMKAARWPLW-AAEUAGOBSA-N 0 0 344.242 3.207 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000927430768 1328022962 /nfs/dbraw/zinc/02/29/62/1328022962.db2.gz RPCVWAJKCCNLPI-PKOBYXMFSA-N 0 0 345.487 3.099 10 10 EGCERN COc1ccc(C[C@@H](C)C(=O)NCc2c(O)cccc2F)cc1OC ZINC000928707151 1328405227 /nfs/dbraw/zinc/40/52/27/1328405227.db2.gz BHGKLVAXHNAQKL-GFCCVEGCSA-N 0 0 347.386 3.044 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1[C@@H]1CCCOC1 ZINC000928709688 1328406063 /nfs/dbraw/zinc/40/60/63/1328406063.db2.gz LCAMZARUWRVQDO-CQSZACIVSA-N 0 0 346.402 3.231 10 10 EGCERN Cc1cccc([C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C(C)C)c1 ZINC000861524284 1329424097 /nfs/dbraw/zinc/42/40/97/1329424097.db2.gz ARQSYCYZMUOOOQ-KRWDZBQOSA-N 0 0 325.412 3.029 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)Cn1ccc(C(F)F)n1 ZINC000861561851 1329426710 /nfs/dbraw/zinc/42/67/10/1329426710.db2.gz NUIUWEPCDOXLJS-UHFFFAOYSA-N 0 0 337.370 3.355 10 10 EGCERN CCN(C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)[C@H]1CCOC1 ZINC000861792582 1329442053 /nfs/dbraw/zinc/44/20/53/1329442053.db2.gz WNBVWQSPGXJTGH-IBGZPJMESA-N 0 0 340.423 3.158 10 10 EGCERN C[C@H]1C(=O)CC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC000862025933 1329455854 /nfs/dbraw/zinc/45/58/54/1329455854.db2.gz CCWPYFXVUHSVSH-SWLSCSKDSA-N 0 0 340.423 3.198 10 10 EGCERN Cc1csc(CCCC(=O)NCc2ccc3cccnc3c2O)n1 ZINC000862026376 1329455876 /nfs/dbraw/zinc/45/58/76/1329455876.db2.gz MDXLZOOOGRHWFF-UHFFFAOYSA-N 0 0 341.436 3.344 10 10 EGCERN CCC[C@@H]1C[C@H](C(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027173 1329455965 /nfs/dbraw/zinc/45/59/65/1329455965.db2.gz LEDKFTLNPSRDRQ-GDBMZVCRSA-N 0 0 328.412 3.152 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)c3coc(C(F)F)c3)C2)cc1 ZINC000862158478 1329463237 /nfs/dbraw/zinc/46/32/37/1329463237.db2.gz IHMUUVDBCZEMSN-GFCCVEGCSA-N 0 0 336.338 3.235 10 10 EGCERN C[C@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[C@H]2C[C@H]2C1 ZINC000863532660 1329561265 /nfs/dbraw/zinc/56/12/65/1329561265.db2.gz LTCDYRHLTTULJC-FVGIMDHTSA-N 0 0 348.830 3.246 10 10 EGCERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000864918878 1329651488 /nfs/dbraw/zinc/65/14/88/1329651488.db2.gz MWQYXYHGMTXKHN-RNJTYBCJSA-N 0 0 330.497 3.148 10 10 EGCERN COc1cc(CNc2cnc(C)c(C(N)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000865295446 1329684182 /nfs/dbraw/zinc/68/41/82/1329684182.db2.gz HIGCYBIDUSYSOS-UHFFFAOYSA-N 0 0 343.427 3.113 10 10 EGCERN COc1ccc(N2CC[C@H](CNc3ccc([C@H](C)O)cn3)C2)cc1 ZINC000865888690 1329749358 /nfs/dbraw/zinc/74/93/58/1329749358.db2.gz TUPVCAVFJSERIM-LSDHHAIUSA-N 0 0 327.428 3.082 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000935309847 1330043281 /nfs/dbraw/zinc/04/32/81/1330043281.db2.gz GVCPFJYXLAIZBI-QGTPRVQTSA-N 0 0 339.435 3.414 10 10 EGCERN C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccccc1O ZINC000866236786 1330082612 /nfs/dbraw/zinc/08/26/12/1330082612.db2.gz CSJKEBZHQRBVIV-SSDOTTSWSA-N 0 0 330.266 3.226 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000866512917 1330120203 /nfs/dbraw/zinc/12/02/03/1330120203.db2.gz PYERVUVCRVELJH-XLWVJDPXSA-N 0 0 333.428 3.035 10 10 EGCERN CC(C)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000867834651 1330222951 /nfs/dbraw/zinc/22/29/51/1330222951.db2.gz UNKADGFJMIWPNL-ZDUSSCGKSA-N 0 0 347.436 3.270 10 10 EGCERN CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868027915 1330241970 /nfs/dbraw/zinc/24/19/70/1330241970.db2.gz MIIPVPRYHUMXRG-OLZOCXBDSA-N 0 0 341.411 3.472 10 10 EGCERN C[C@@H](COc1cccc(F)c1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868124331 1330252136 /nfs/dbraw/zinc/25/21/36/1330252136.db2.gz BYLNFXCSWRGOLG-STQMWFEESA-N 0 0 332.375 3.359 10 10 EGCERN C[C@H](NC(=O)NCCCCC(=O)OC(C)(C)C)c1ccccc1O ZINC000868476032 1330284279 /nfs/dbraw/zinc/28/42/79/1330284279.db2.gz PKCKITYRJSPYGT-ZDUSSCGKSA-N 0 0 336.432 3.264 10 10 EGCERN COC(=O)[C@](C)(Cc1ccc(F)cc1)NCc1ccc(OC)c(C)c1 ZINC001197347722 1368793800 /nfs/dbraw/zinc/79/38/00/1368793800.db2.gz BUHWDUWLMRLIJA-FQEVSTJZSA-N 0 0 345.414 3.407 10 10 EGCERN COc1ccc(N(CC[S@](C)=O)Cc2ccccc2)cc1OC ZINC001198837585 1369126664 /nfs/dbraw/zinc/12/66/64/1369126664.db2.gz NXMSLJXSLNCAKI-QHCPKHFHSA-N 0 0 333.453 3.089 10 10 EGCERN C[C@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001326156245 1388120389 /nfs/dbraw/zinc/12/03/89/1388120389.db2.gz MWWCXKYOSAGFQG-UAGQMJEPSA-N 0 0 334.435 3.229 10 10 EGCERN FC(F)(F)C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118631452 1371208132 /nfs/dbraw/zinc/20/81/32/1371208132.db2.gz USGBMMDAMFQKJZ-INIZCTEOSA-N 0 0 328.378 3.440 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2c(F)cccc2-n2cccn2)cc1 ZINC001124553979 1372711127 /nfs/dbraw/zinc/71/11/27/1372711127.db2.gz YNRBXSFPYXIDNJ-UHFFFAOYSA-N 0 0 338.386 3.007 10 10 EGCERN C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001124550100 1372711331 /nfs/dbraw/zinc/71/13/31/1372711331.db2.gz YNENFWGIAKNXPY-RDJZCZTQSA-N 0 0 328.456 3.251 10 10 EGCERN COC(=O)CC(C)(C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124550053 1372711609 /nfs/dbraw/zinc/71/16/09/1372711609.db2.gz WRZIHPPYDGPOBE-UHFFFAOYSA-N 0 0 346.471 3.225 10 10 EGCERN Cc1ccc(N(C)C(=O)/C=C\c2cn(C)cn2)cc1Br ZINC001128260865 1373242864 /nfs/dbraw/zinc/24/28/64/1373242864.db2.gz IIUORIMXKWYEIX-ALCCZGGFSA-N 0 0 334.217 3.167 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)c1ccc2c(c1)CCOC2 ZINC001128704572 1373304068 /nfs/dbraw/zinc/30/40/68/1373304068.db2.gz PRIPAXUDXGPABW-UHFFFAOYSA-N 0 0 329.743 3.201 10 10 EGCERN Cc1cc(CC(=O)NC[C@H]2CC[C@H](C)O2)c(C)n1-c1ccccc1 ZINC001129518517 1373393096 /nfs/dbraw/zinc/39/30/96/1373393096.db2.gz ADMPBFVWQXTHML-HNAYVOBHSA-N 0 0 326.440 3.320 10 10 EGCERN CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001230194654 1375964647 /nfs/dbraw/zinc/96/46/47/1375964647.db2.gz DGGHZOGCAXCXSD-TWOQFEAHSA-N 0 0 349.519 3.088 10 10 EGCERN COC[C@@H](NC(=O)NCc1cc(C)n(-c2ccccc2)c1C)C1CC1 ZINC001230699311 1376128147 /nfs/dbraw/zinc/12/81/47/1376128147.db2.gz ZYPVNCNJQCPMRT-LJQANCHMSA-N 0 0 341.455 3.318 10 10 EGCERN CCC/C=C\[C@H](O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001135746554 1377200604 /nfs/dbraw/zinc/20/06/04/1377200604.db2.gz URQJPZODOSBCJA-QBUQCISBSA-N 0 0 330.472 3.353 10 10 EGCERN CCOC(=O)NCCCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001135946567 1377273973 /nfs/dbraw/zinc/27/39/73/1377273973.db2.gz XOFDYXBZFUHVIM-UHFFFAOYSA-N 0 0 349.475 3.018 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)cc1 ZINC001136147411 1377358366 /nfs/dbraw/zinc/35/83/66/1377358366.db2.gz BJPJGTWGOYTLSH-UHFFFAOYSA-N 0 0 349.350 3.434 10 10 EGCERN CCOc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001136179145 1377361543 /nfs/dbraw/zinc/36/15/43/1377361543.db2.gz XOZLDMABSZGUKY-UHFFFAOYSA-N 0 0 326.356 3.178 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC001136722452 1377417627 /nfs/dbraw/zinc/41/76/27/1377417627.db2.gz CADLJKULYZRHEF-OAHLLOKOSA-N 0 0 326.331 3.405 10 10 EGCERN C[C@H](Cc1ccncc1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001137044654 1377465409 /nfs/dbraw/zinc/46/54/09/1377465409.db2.gz IYQLXWPBIZNLPC-SNVBAGLBSA-N 0 0 328.393 3.069 10 10 EGCERN Cc1cccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccn2)c1 ZINC001138009270 1377663796 /nfs/dbraw/zinc/66/37/96/1377663796.db2.gz RXNWDUAVBKYPBN-OAQYLSRUSA-N 0 0 348.402 3.250 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NN1CCCCC1 ZINC001138016155 1377665934 /nfs/dbraw/zinc/66/59/34/1377665934.db2.gz IHHCDYMQXWRGCO-UHFFFAOYSA-N 0 0 325.412 3.037 10 10 EGCERN COC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001141269142 1378287980 /nfs/dbraw/zinc/28/79/80/1378287980.db2.gz UTULKTRSPSEFSM-UHFFFAOYSA-N 0 0 342.439 3.392 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NOCCOC(C)C ZINC001141350240 1378308339 /nfs/dbraw/zinc/30/83/39/1378308339.db2.gz WZWYNUKGCYMBJY-UHFFFAOYSA-N 0 0 330.428 3.489 10 10 EGCERN C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001141737621 1378368430 /nfs/dbraw/zinc/36/84/30/1378368430.db2.gz BHWLGQNEBYUKPA-GXFFZTMASA-N 0 0 345.270 3.436 10 10 EGCERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H](C)C(C)(C)C ZINC001142234842 1378422989 /nfs/dbraw/zinc/42/29/89/1378422989.db2.gz FKZILNCSTRTLQX-CVEARBPZSA-N 0 0 332.488 3.458 10 10 EGCERN CN(C)c1ccc(CNC(=O)C(C)(C)Nc2ccccc2)cc1F ZINC001142565926 1378460256 /nfs/dbraw/zinc/46/02/56/1378460256.db2.gz PPGONSIPXFSUNU-UHFFFAOYSA-N 0 0 329.419 3.399 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCOc2ccccc21 ZINC001142728019 1378481682 /nfs/dbraw/zinc/48/16/82/1378481682.db2.gz KVPIFMAMPXIHPJ-INIZCTEOSA-N 0 0 334.375 3.123 10 10 EGCERN O=C(/C=C\c1ccnc(Cl)c1)NCc1ccc2cccnc2c1O ZINC001142728137 1378482687 /nfs/dbraw/zinc/48/26/87/1378482687.db2.gz MPCFYYHFEAEPER-UTCJRWHESA-N 0 0 339.782 3.318 10 10 EGCERN CN(C)c1cccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001142767946 1378484914 /nfs/dbraw/zinc/48/49/14/1378484914.db2.gz YMOGYSOYYWRTBV-UHFFFAOYSA-N 0 0 342.420 3.309 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Cn2ccnc2C(C)C)cc1F ZINC001144977618 1378785654 /nfs/dbraw/zinc/78/56/54/1378785654.db2.gz JUBWJBPRQKIGOW-UHFFFAOYSA-N 0 0 346.450 3.308 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1F ZINC001144979017 1378785979 /nfs/dbraw/zinc/78/59/79/1378785979.db2.gz YUSLEGBVHMRWIW-AHXJXLJNSA-N 0 0 336.451 3.348 10 10 EGCERN CCc1ccc([C@H](COC)NC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001147149523 1378976657 /nfs/dbraw/zinc/97/66/57/1378976657.db2.gz MMMZZRNRLUGNRI-AWEZNQCLSA-N 0 0 344.371 3.122 10 10 EGCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1c1ccccc1 ZINC001148038964 1379108175 /nfs/dbraw/zinc/10/81/75/1379108175.db2.gz PUFKJZXTWPZQNH-RHSMWYFYSA-N 0 0 325.408 3.293 10 10 EGCERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1c1ccccc1 ZINC001148038966 1379108396 /nfs/dbraw/zinc/10/83/96/1379108396.db2.gz PUFKJZXTWPZQNH-YOEHRIQHSA-N 0 0 325.408 3.293 10 10 EGCERN COc1cccc(CNC(=O)COc2cc(Cl)ccc2C)c1O ZINC001150542985 1379565280 /nfs/dbraw/zinc/56/52/80/1379565280.db2.gz GNKNBMYGBIWNSY-UHFFFAOYSA-N 0 0 335.787 3.058 10 10 EGCERN C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)c1nccs1 ZINC001152059507 1379854148 /nfs/dbraw/zinc/85/41/48/1379854148.db2.gz XYSGTCGSQLUCJC-JTQLQIEISA-N 0 0 331.401 3.181 10 10 EGCERN O=C(c1cnc2c(Cl)cccc2c1O)N1Cc2cccc(O)c2C1 ZINC001152573042 1379950685 /nfs/dbraw/zinc/95/06/85/1379950685.db2.gz IRNCWKWKWQEAPG-UHFFFAOYSA-N 0 0 340.766 3.043 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c(C)n1-c1ccccc1C ZINC001154846991 1380363973 /nfs/dbraw/zinc/36/39/73/1380363973.db2.gz HJPOKYBMJPFXEX-QZTJIDSGSA-N 0 0 326.440 3.292 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@@H](C)CC3)c2C)cc1 ZINC001156155246 1380532408 /nfs/dbraw/zinc/53/24/08/1380532408.db2.gz LHSVXMAHYQWCBT-HNNXBMFYSA-N 0 0 342.439 3.354 10 10 EGCERN CC(C)c1ccc(OCCC(=O)NCc2c(O)cccc2O)cc1 ZINC001156880935 1380715750 /nfs/dbraw/zinc/71/57/50/1380715750.db2.gz IKIGNAQCGJBLFH-UHFFFAOYSA-N 0 0 329.396 3.307 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1cccnc1-n1cccn1 ZINC001157037801 1380757159 /nfs/dbraw/zinc/75/71/59/1380757159.db2.gz ZNTFKXTVOHXXLH-UHFFFAOYSA-N 0 0 344.374 3.056 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]nc1-c1ccccc1 ZINC001157102565 1380776502 /nfs/dbraw/zinc/77/65/02/1380776502.db2.gz LLHJAISZDAPYSM-UHFFFAOYSA-N 0 0 342.395 3.198 10 10 EGCERN O=C(NC[C@@H]1Cc2ccccc2O1)c1cc2cc(O)c(O)cc2s1 ZINC001158202811 1381158237 /nfs/dbraw/zinc/15/82/37/1381158237.db2.gz NBJGXDQMIYHYRK-LBPRGKRZSA-N 0 0 341.388 3.046 10 10 EGCERN COC(=O)Nc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001291621839 1382145562 /nfs/dbraw/zinc/14/55/62/1382145562.db2.gz ZTGRVNXBWLDIDY-UHFFFAOYSA-N 0 0 341.327 3.280 10 10 EGCERN O=Cc1ccc(/C=C/C(=O)NCCCSc2nccs2)cc1 ZINC001292997289 1382242853 /nfs/dbraw/zinc/24/28/53/1382242853.db2.gz MHNSHZZDHOUIAA-VOTSOKGWSA-N 0 0 332.450 3.267 10 10 EGCERN O=C(Cc1scnc1-c1ccccc1)NCc1ccc(O)cc1O ZINC001162278749 1382718899 /nfs/dbraw/zinc/71/88/99/1382718899.db2.gz LEEUNLPLJODPEY-UHFFFAOYSA-N 0 0 340.404 3.080 10 10 EGCERN CC(C)Oc1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1 ZINC001162613115 1382809054 /nfs/dbraw/zinc/80/90/54/1382809054.db2.gz WPJILTPKDFOJBW-UHFFFAOYSA-N 0 0 337.379 3.053 10 10 EGCERN COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001165688375 1383325595 /nfs/dbraw/zinc/32/55/95/1383325595.db2.gz BQZHZBQIDYOGIH-HNNXBMFYSA-N 0 0 345.370 3.152 10 10 EGCERN CCc1cc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)n[nH]1 ZINC001299775954 1383627204 /nfs/dbraw/zinc/62/72/04/1383627204.db2.gz FRWSAMQRSYHGQP-UHFFFAOYSA-N 0 0 336.395 3.444 10 10 EGCERN COC[C@@H](C)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001300988062 1383688385 /nfs/dbraw/zinc/68/83/85/1383688385.db2.gz RILUBTITMLZTFY-AWEZNQCLSA-N 0 0 346.475 3.200 10 10 EGCERN CO[C@@]1(C)C[C@H]1NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001301253660 1383703553 /nfs/dbraw/zinc/70/35/53/1383703553.db2.gz KLZLOSGMVAGJDO-QUCCMNQESA-N 0 0 340.423 3.122 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001304817226 1383857088 /nfs/dbraw/zinc/85/70/88/1383857088.db2.gz KAEXGNAMDQVQNG-ZIAGYGMSSA-N 0 0 345.466 3.322 10 10 EGCERN Cc1cc(CNC(=O)N[C@H](C)C[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC001313132083 1384398784 /nfs/dbraw/zinc/39/87/84/1384398784.db2.gz LPPSFXFESMLOCD-ZBFHGGJFSA-N 0 0 343.471 3.361 10 10 EGCERN COc1ccc(N(C)Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC001171745940 1384624171 /nfs/dbraw/zinc/62/41/71/1384624171.db2.gz JMJQZURGGDCJAQ-UHFFFAOYSA-N 0 0 339.351 3.110 10 10 EGCERN O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 ZINC001335795904 1388937576 /nfs/dbraw/zinc/93/75/76/1388937576.db2.gz DSFKOKMYQYNVRN-UHFFFAOYSA-N 0 0 346.390 3.006 10 10 EGCERN Cc1ccc(-c2c[nH]cc2C(=O)NCc2cccc(O)c2O)s1 ZINC001176576926 1385630022 /nfs/dbraw/zinc/63/00/22/1385630022.db2.gz UNRRLGNJJLCBIA-UHFFFAOYSA-N 0 0 328.393 3.393 10 10 EGCERN COc1cc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n(C)n1 ZINC001178417195 1386211169 /nfs/dbraw/zinc/21/11/69/1386211169.db2.gz XUTAFIPBXMYNMD-UHFFFAOYSA-N 0 0 338.411 3.397 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(Cc2ccoc2)C1 ZINC001180067794 1386686344 /nfs/dbraw/zinc/68/63/44/1386686344.db2.gz FVRQBYIJOBZEPJ-UHFFFAOYSA-N 0 0 329.377 3.220 10 10 EGCERN Cc1cc(CC(=O)N2CCCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001330725413 1389510319 /nfs/dbraw/zinc/51/03/19/1389510319.db2.gz RLPAZHHPJOKUAE-LJQANCHMSA-N 0 0 326.440 3.010 10 10 EGCERN Cc1cc(CC(=O)N2CC[C@@](O)(C3CC3)C2)c(C)n1-c1ccccc1 ZINC001330797791 1389530888 /nfs/dbraw/zinc/53/08/88/1389530888.db2.gz NEIFUNBFIPRBIL-NRFANRHFSA-N 0 0 338.451 3.010 10 10 EGCERN Cn1nc(C(C)(C)C)cc1NC(=O)NCc1cccc(Cl)c1O ZINC001335496095 1390693674 /nfs/dbraw/zinc/69/36/74/1390693674.db2.gz OEKNPFNGDPDXPF-UHFFFAOYSA-N 0 0 336.823 3.398 10 10 EGCERN COc1nscc1CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001346413336 1390934627 /nfs/dbraw/zinc/93/46/27/1390934627.db2.gz UDDSUECMAKIRPD-GFCCVEGCSA-N 0 0 348.472 3.120 10 10 EGCERN C[C@H](NC(=O)NCc1cc(Br)ccc1O)C1(C)CC1 ZINC001346654053 1390966779 /nfs/dbraw/zinc/96/67/79/1390966779.db2.gz CERJHSXPFSQSTH-VIFPVBQESA-N 0 0 327.222 3.143 10 10 EGCERN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C1=CCOCC1 ZINC001347607536 1391099354 /nfs/dbraw/zinc/09/93/54/1391099354.db2.gz LZOHRHUHJQKZCB-UHFFFAOYSA-N 0 0 347.436 3.415 10 10 EGCERN C[C@@H](NC(=O)CC[C@@H]1[C@@H](C)n2nccc2N[C@H]1C)c1ccccc1O ZINC001348994469 1391294421 /nfs/dbraw/zinc/29/44/21/1391294421.db2.gz XYBHLJPEKQHTIV-YJNKXOJESA-N 0 0 342.443 3.238 10 10 EGCERN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(O)c1O ZINC001349080052 1391301286 /nfs/dbraw/zinc/30/12/86/1391301286.db2.gz YDKWIXUOWXQHKN-KRWDZBQOSA-N 0 0 349.814 3.471 10 10 EGCERN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 ZINC001349789408 1391367546 /nfs/dbraw/zinc/36/75/46/1391367546.db2.gz APSPEHFTSLEMHZ-CQSZACIVSA-N 0 0 332.404 3.126 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(C2CC2)no1 ZINC001353911913 1392107685 /nfs/dbraw/zinc/10/76/85/1392107685.db2.gz UWABPPZZZILFLI-UHFFFAOYSA-N 0 0 325.412 3.424 10 10 EGCERN CN(C)Cc1csc(CNCc2ccc(N3CCCC3)cc2)n1 ZINC001354176004 1392125011 /nfs/dbraw/zinc/12/50/11/1392125011.db2.gz WUYRAYSJKLGKFR-UHFFFAOYSA-N 0 0 330.501 3.095 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H]1CC(C)(C)CO1 ZINC001687590392 1396417657 /nfs/dbraw/zinc/41/76/57/1396417657.db2.gz BLBQPAASWRGLIZ-SFHVURJKSA-N 0 0 347.503 3.489 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)CCCS1 ZINC001693458492 1406016550 /nfs/dbraw/zinc/01/65/50/1406016550.db2.gz NWKURKBRBADPDA-QGZVFWFLSA-N 0 0 332.473 3.214 10 10 EGCERN C#CCN(C)c1nnc([C@H](C)CC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001705542033 1417127244 /nfs/dbraw/zinc/12/72/44/1417127244.db2.gz WXMXALOTQYTVIP-CQSZACIVSA-N 0 0 343.450 3.114 10 10 EGCERN CCc1nnc(N2C[C@H]3CCC[C@H]32)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709068410 1417420660 /nfs/dbraw/zinc/42/06/60/1417420660.db2.gz YAXUYEFHEKNHDI-GDBMZVCRSA-N 0 0 343.450 3.083 10 10 EGCERN Cc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001724235718 1424747959 /nfs/dbraw/zinc/74/79/59/1424747959.db2.gz NLQKLLFAFLIWTB-HUUCEWRRSA-N 0 0 341.503 3.492 10 10 EGCERN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)CC ZINC001743567669 1439574180 /nfs/dbraw/zinc/57/41/80/1439574180.db2.gz UWVMRCOXOCOZAH-IFXJQAMLSA-N 0 0 346.475 3.295 10 10 EGCERN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)OC ZINC001743567203 1439574218 /nfs/dbraw/zinc/57/42/18/1439574218.db2.gz OTNRLCDJYSSMKI-ZIAGYGMSSA-N 0 0 332.448 3.169 10 10 EGCERN Cc1nnc(N2CCCCCC2)n1Cc1ccc(N(C)C)cc1C ZINC001761697524 1441373240 /nfs/dbraw/zinc/37/32/40/1441373240.db2.gz JBEPCNXSRJMSHX-UHFFFAOYSA-N 0 0 327.476 3.390 10 10 EGCERN CN(C)c1ccc(Cn2c(C3CC3)nnc2N(C)CC2CC2)cc1F ZINC001766909537 1441403804 /nfs/dbraw/zinc/40/38/04/1441403804.db2.gz GKWCDRYLOHFJGI-UHFFFAOYSA-N 0 0 343.450 3.255 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cncn2)cc1 ZINC000066096706 215009838 /nfs/dbraw/zinc/00/98/38/215009838.db2.gz XNSOINHHADVYHP-UHFFFAOYSA-N 0 0 336.395 3.025 10 10 EGCERN Nc1ccc(CCC(=O)Nc2ncc(Br)s2)cc1 ZINC000038051743 213198278 /nfs/dbraw/zinc/19/82/78/213198278.db2.gz XWORXMWOPJBGJX-UHFFFAOYSA-N 0 0 326.219 3.059 10 10 EGCERN O=C(c1cccc(O)c1O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000225734275 242010933 /nfs/dbraw/zinc/01/09/33/242010933.db2.gz FOONOXWRANZNPZ-UHFFFAOYSA-N 0 0 331.318 3.306 10 10 EGCERN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(F)cc3)C(=N)N12 ZINC000020848343 212175313 /nfs/dbraw/zinc/17/53/13/212175313.db2.gz BQCBYVDDJSLWIO-CCGUKCLOSA-N 0 0 334.401 3.155 10 10 EGCERN CC(=O)O[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1c1cc(C)ccc1O ZINC000006426455 257701098 /nfs/dbraw/zinc/70/10/98/257701098.db2.gz BJIJSSPSGFSVOC-ICSRJNTNSA-N 0 0 339.391 3.106 10 10 EGCERN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000146250802 295289560 /nfs/dbraw/zinc/28/95/60/295289560.db2.gz BNFWMUYNHIPDAX-IIDMSEBBSA-N 0 0 344.411 3.300 10 10 EGCERN C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cc2c(cc1O)OCO2 ZINC000066795238 453874161 /nfs/dbraw/zinc/87/41/61/453874161.db2.gz YLECFQPEKZOYAR-BFUOFWGJSA-N 0 0 327.380 3.083 10 10 EGCERN Cc1nc(CNC(=O)NCc2ccc(N3CCCCC3)cc2)cs1 ZINC000058213180 454171880 /nfs/dbraw/zinc/17/18/80/454171880.db2.gz CXAQNJJLZAPWDC-UHFFFAOYSA-N 0 0 344.484 3.441 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c(C)n1-c1ccccc1C ZINC000095459356 454216392 /nfs/dbraw/zinc/21/63/92/454216392.db2.gz JXTRXGAGWWLPOO-AUUYWEPGSA-N 0 0 326.440 3.245 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(C)n1-c1ccccn1 ZINC000071796795 454219830 /nfs/dbraw/zinc/21/98/30/454219830.db2.gz NSZISHRNZUDECO-GOSISDBHSA-N 0 0 349.438 3.200 10 10 EGCERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/C2CC2)cc1 ZINC000079829934 454486699 /nfs/dbraw/zinc/48/66/99/454486699.db2.gz FNXOEBZXTMBMBC-DLENHJPASA-N 0 0 328.456 3.226 10 10 EGCERN COC(=O)C1=CN(c2cc(C)cc(C)c2)c2ccccc2S1(=O)=O ZINC000064979131 454521718 /nfs/dbraw/zinc/52/17/18/454521718.db2.gz BXURQUZYUKOXFE-UHFFFAOYSA-N 0 0 343.404 3.243 10 10 EGCERN COc1ccc(N2CCC(N(C)C(=O)Nc3ccncc3)CC2)cc1 ZINC000065611611 454604397 /nfs/dbraw/zinc/60/43/97/454604397.db2.gz KDPVZSWCQPTKBW-UHFFFAOYSA-N 0 0 340.427 3.223 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC([C@@H](C)O)CC1 ZINC000136345122 454736636 /nfs/dbraw/zinc/73/66/36/454736636.db2.gz DMXCVLNOORTRCU-CQSZACIVSA-N 0 0 332.469 3.389 10 10 EGCERN Cc1nc(C[C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)no1 ZINC000191305183 455476027 /nfs/dbraw/zinc/47/60/27/455476027.db2.gz YTQIOBOBDZCXTR-LLVKDONJSA-N 0 0 339.798 3.331 10 10 EGCERN COc1cc(N(C)Cc2ncc(C)c(OC)c2C)cc(OC)c1OC ZINC000125701945 454840337 /nfs/dbraw/zinc/84/03/37/454840337.db2.gz BQYJAMWDHWYOHA-UHFFFAOYSA-N 0 0 346.427 3.369 10 10 EGCERN COc1ccc(N2CCN(C(=O)C3CCC(F)(F)CC3)CC2)cc1 ZINC000179326423 455032979 /nfs/dbraw/zinc/03/29/79/455032979.db2.gz FACRBZYUUHEELB-UHFFFAOYSA-N 0 0 338.398 3.169 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116117897 455043118 /nfs/dbraw/zinc/04/31/18/455043118.db2.gz LZMNDSBNWPZQEQ-GOSISDBHSA-N 0 0 348.450 3.457 10 10 EGCERN O=C(NCCc1ccccc1O)NCc1ccc(N2CCCC2)cc1 ZINC000171633016 455081015 /nfs/dbraw/zinc/08/10/15/455081015.db2.gz NMQSPCZHETVWJA-UHFFFAOYSA-N 0 0 339.439 3.034 10 10 EGCERN COc1cccc(CNC(=O)Nc2cc(OC)c(OC)cc2C)c1O ZINC000264312719 455197425 /nfs/dbraw/zinc/19/74/25/455197425.db2.gz ZIXOSYCNNHSPMX-UHFFFAOYSA-N 0 0 346.383 3.048 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCOc2ccccc21 ZINC000183460997 455295643 /nfs/dbraw/zinc/29/56/43/455295643.db2.gz CCUHLSLRNRRIRQ-UKRRQHHQSA-N 0 0 341.407 3.101 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000175652871 455477840 /nfs/dbraw/zinc/47/78/40/455477840.db2.gz AEXSFNWEYMZFMX-KRWDZBQOSA-N 0 0 345.418 3.421 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1F ZINC000182524116 455533043 /nfs/dbraw/zinc/53/30/43/455533043.db2.gz BJAFALRGQKZRQR-INIZCTEOSA-N 0 0 345.422 3.052 10 10 EGCERN Cc1nnc([C@H](N[C@@H](C)c2ccc(F)cc2O)c2ccccc2)[nH]1 ZINC000185324349 455540431 /nfs/dbraw/zinc/54/04/31/455540431.db2.gz RXXJLWQCXVNJNG-APPDUMDISA-N 0 0 326.375 3.398 10 10 EGCERN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000186111148 455695818 /nfs/dbraw/zinc/69/58/18/455695818.db2.gz DRIRNRLVBGTWFV-VHSXEESVSA-N 0 0 346.258 3.153 10 10 EGCERN Cc1ccc(OC2CCN(C(=O)c3cccc(O)c3O)CC2)cc1C ZINC000192986473 455731647 /nfs/dbraw/zinc/73/16/47/455731647.db2.gz SBCNPQIXSYGEKR-UHFFFAOYSA-N 0 0 341.407 3.398 10 10 EGCERN C[C@@]12CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@@H]1C2(F)F ZINC000293101970 455774550 /nfs/dbraw/zinc/77/45/50/455774550.db2.gz UHUVVASOITVTPD-FUHWJXTLSA-N 0 0 347.409 3.250 10 10 EGCERN COCCOc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294159219 455806699 /nfs/dbraw/zinc/80/66/99/455806699.db2.gz IMSLASIKOIUZJB-UHFFFAOYSA-N 0 0 339.794 3.500 10 10 EGCERN O=C(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])NC1CCCCC1 ZINC000294315235 455811709 /nfs/dbraw/zinc/81/17/09/455811709.db2.gz QTFOEPYFOBGDHK-UHFFFAOYSA-N 0 0 328.815 3.113 10 10 EGCERN O=C(c1c(F)ccc(O)c1O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000296116090 455869734 /nfs/dbraw/zinc/86/97/34/455869734.db2.gz RQZOYSQOCSJZCC-NSHDSACASA-N 0 0 347.308 3.432 10 10 EGCERN C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187766658 455950201 /nfs/dbraw/zinc/95/02/01/455950201.db2.gz MHWMIRFNCQBPHM-MFKMUULPSA-N 0 0 332.350 3.447 10 10 EGCERN Oc1ccccc1CN(Cc1ncc(C2CC2)o1)C[C@@H]1CCCO1 ZINC000270478599 455964879 /nfs/dbraw/zinc/96/48/79/455964879.db2.gz DFTLYFYEAXXQSF-INIZCTEOSA-N 0 0 328.412 3.439 10 10 EGCERN Cc1cc(C(=O)CN2CC[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505295 455974524 /nfs/dbraw/zinc/97/45/24/455974524.db2.gz FFLHBCXNXUTSIG-HOTGVXAUSA-N 0 0 344.430 3.119 10 10 EGCERN CC[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cccc(Cl)c1[O-] ZINC000286967535 456058132 /nfs/dbraw/zinc/05/81/32/456058132.db2.gz IFFUJIULKWOPIN-CQDKDKBSSA-N 0 0 329.868 3.244 10 10 EGCERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1ccccc1O ZINC000287263958 456065802 /nfs/dbraw/zinc/06/58/02/456065802.db2.gz KYIPMOKEGZSLQG-BXUZGUMPSA-N 0 0 342.370 3.056 10 10 EGCERN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCO3)cc2Cl)C1 ZINC000291445109 456645287 /nfs/dbraw/zinc/64/52/87/456645287.db2.gz FFSUUBBEULFPJD-CYBMUJFWSA-N 0 0 337.851 3.423 10 10 EGCERN Cc1cc2c(N3CC=C(c4ccc(Cl)nc4)CC3)nccn2n1 ZINC000364366380 457581033 /nfs/dbraw/zinc/58/10/33/457581033.db2.gz USYLJFOTGKZMCM-UHFFFAOYSA-N 0 0 325.803 3.380 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(-c2cccnc2)cc1 ZINC000374815289 457712172 /nfs/dbraw/zinc/71/21/72/457712172.db2.gz CETWWFUEKGAPPF-UXBLZVDNSA-N 0 0 346.386 3.489 10 10 EGCERN COc1ccc(N2CCCN(C(=O)c3csc(C)c3)CC2)cc1 ZINC000375614291 457992021 /nfs/dbraw/zinc/99/20/21/457992021.db2.gz WRGOVWKSMDIEJH-UHFFFAOYSA-N 0 0 330.453 3.418 10 10 EGCERN Cc1nc2c(s1)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CCC2 ZINC000367980804 458002608 /nfs/dbraw/zinc/00/26/08/458002608.db2.gz GXKVFVPZWIMQSE-CFNZNRNTSA-N 0 0 330.409 3.070 10 10 EGCERN COc1ccc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)cc1Cl ZINC000427744391 458029504 /nfs/dbraw/zinc/02/95/04/458029504.db2.gz XPFRHWJDPIKIAD-UHFFFAOYSA-N 0 0 344.802 3.354 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)Nc3c(C)cnn3C)ccc21 ZINC000617280333 460794221 /nfs/dbraw/zinc/79/42/21/460794221.db2.gz MPOZJMXHFXXLHA-UHFFFAOYSA-N 0 0 340.427 3.199 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000728950337 574789503 /nfs/dbraw/zinc/78/95/03/574789503.db2.gz LDOLGSGBEULOSE-JCURWCKSSA-N 0 0 326.396 3.317 10 10 EGCERN CC1CCN(c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)CC1 ZINC000731063389 575048322 /nfs/dbraw/zinc/04/83/22/575048322.db2.gz LQARONPYHHGCSD-UHFFFAOYSA-N 0 0 349.434 3.387 10 10 EGCERN O=C(NCc1cc(F)cc(Br)c1)C1=CC(=O)CS1 ZINC000732275598 575252972 /nfs/dbraw/zinc/25/29/72/575252972.db2.gz MRTXNFHOQCRRBH-UHFFFAOYSA-N 0 0 330.178 3.285 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000734407311 575481576 /nfs/dbraw/zinc/48/15/76/575481576.db2.gz MLNGITBAYMNLBY-GOSISDBHSA-N 0 0 344.842 3.334 10 10 EGCERN Cc1cc(C(=O)NC(C)(C)c2cn[nH]n2)c(C)n1-c1ccccc1C ZINC000734984583 575584899 /nfs/dbraw/zinc/58/48/99/575584899.db2.gz VHXTWYPJTCSTAL-UHFFFAOYSA-N 0 0 337.427 3.186 10 10 EGCERN Cc1cn2cc(NC(=O)NCc3ccc(N(C)C)cc3C)ccc2n1 ZINC000738918582 576369147 /nfs/dbraw/zinc/36/91/47/576369147.db2.gz CKLHFRREZYJRHK-UHFFFAOYSA-N 0 0 337.427 3.339 10 10 EGCERN CN(C)c1nccc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000740865027 576631271 /nfs/dbraw/zinc/63/12/71/576631271.db2.gz UFUSGQPFFRVDEZ-UHFFFAOYSA-N 0 0 325.460 3.169 10 10 EGCERN CN(C)c1ccc(CN2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000034686934 1291390816 /nfs/dbraw/zinc/39/08/16/1291390816.db2.gz JNBJUMYLPWHBCD-HXUWFJFHSA-N 0 0 326.440 3.032 10 10 EGCERN Cc1cc(CCNc2cc(C)nc3ncnn32)c(C)n1-c1ccccc1 ZINC000139918341 1293848052 /nfs/dbraw/zinc/84/80/52/1293848052.db2.gz FZVNOONNSBWJHW-UHFFFAOYSA-N 0 0 346.438 3.495 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000173581785 1294466559 /nfs/dbraw/zinc/46/65/59/1294466559.db2.gz IIPDKKZQJFYUCB-UKRRQHHQSA-N 0 0 333.334 3.099 10 10 EGCERN Cc1cc(C)n(CC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000173674735 1294468864 /nfs/dbraw/zinc/46/88/64/1294468864.db2.gz QZVRJBVIHKQCGI-UHFFFAOYSA-N 0 0 339.395 3.028 10 10 EGCERN CC[C@](O)(C(=O)N1Cc2cccc(O)c2C1)c1cccc(Cl)c1 ZINC000871205147 1296270949 /nfs/dbraw/zinc/27/09/49/1296270949.db2.gz OZYXVXFSSNASMP-GOSISDBHSA-N 0 0 331.799 3.186 10 10 EGCERN COc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(OCC2CC2)c1 ZINC000871203451 1296271805 /nfs/dbraw/zinc/27/18/05/1296271805.db2.gz AMZCVWGLMCVWAI-UHFFFAOYSA-N 0 0 339.391 3.346 10 10 EGCERN COc1ccc(OC(C)(C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871206054 1296272859 /nfs/dbraw/zinc/27/28/59/1296272859.db2.gz PVLPRPRVDYZDFW-UHFFFAOYSA-N 0 0 327.380 3.101 10 10 EGCERN COC(=O)c1cccc(NC(=S)Nc2cccc(N(C)C)c2)c1 ZINC000243583978 1296292457 /nfs/dbraw/zinc/29/24/57/1296292457.db2.gz OQBPFGUXSBMNDI-UHFFFAOYSA-N 0 0 329.425 3.348 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871328761 1296352233 /nfs/dbraw/zinc/35/22/33/1296352233.db2.gz LJDYGIMFODRUHD-DZFYGRHCSA-N 0 0 331.412 3.061 10 10 EGCERN CC(C)CCNC(=O)c1c(-c2cccnc2)cc(=O)n2c1CCCC2 ZINC000581800537 1298012931 /nfs/dbraw/zinc/01/29/31/1298012931.db2.gz URXPRXADXSYSQI-UHFFFAOYSA-N 0 0 339.439 3.023 10 10 EGCERN C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1C[NH3+] ZINC000708100111 1298235237 /nfs/dbraw/zinc/23/52/37/1298235237.db2.gz RKBMXBYDUNXBJF-KOLCDFICSA-N 0 0 347.684 3.225 10 10 EGCERN C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H](C)[N@H+]1C ZINC000708141928 1298236906 /nfs/dbraw/zinc/23/69/06/1298236906.db2.gz XIHUSZAQIRLLKO-AOOOYVTPSA-N 0 0 347.684 3.333 10 10 EGCERN COc1cccc([C@@H]2C[C@H]2CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875672763 1298435168 /nfs/dbraw/zinc/43/51/68/1298435168.db2.gz MSSNGEURHUEKNF-RDJZCZTQSA-N 0 0 338.407 3.230 10 10 EGCERN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2cccc(Cl)c2O)c1 ZINC000890760990 1304872826 /nfs/dbraw/zinc/87/28/26/1304872826.db2.gz HOWIVRFKCJZBLN-LSDHHAIUSA-N 0 0 331.799 3.474 10 10 EGCERN Cc1cnc2n1CC[C@H]2OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000893518836 1305946173 /nfs/dbraw/zinc/94/61/73/1305946173.db2.gz MWJLCLHRXIMTSR-MRXNPFEDSA-N 0 0 336.395 3.296 10 10 EGCERN CN(C)c1nccc2c1N(C(=O)/C=C/c1ccc(Cl)nc1)CCC2 ZINC000894157059 1306251539 /nfs/dbraw/zinc/25/15/39/1306251539.db2.gz UWLKGYUGSUZJKG-SOFGYWHQSA-N 0 0 342.830 3.189 10 10 EGCERN COc1cc(C)cc(CN[C@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000894330482 1306346783 /nfs/dbraw/zinc/34/67/83/1306346783.db2.gz OWKZGVKWIWICHE-CQSZACIVSA-N 0 0 338.411 3.141 10 10 EGCERN COC(=O)c1c(CNCc2occc2C)c2cc(F)ccc2n1C ZINC000894843930 1309097614 /nfs/dbraw/zinc/09/76/14/1309097614.db2.gz KZOAGZXXZZUYJK-UHFFFAOYSA-N 0 0 330.359 3.295 10 10 EGCERN CC1([NH+]2CCC2)CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000895672330 1309459920 /nfs/dbraw/zinc/45/99/20/1309459920.db2.gz WSJLCEZBBPUMRY-UHFFFAOYSA-N 0 0 339.277 3.215 10 10 EGCERN C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)c(F)cc3[O-])O2)CO1 ZINC000895818996 1309535034 /nfs/dbraw/zinc/53/50/34/1309535034.db2.gz HCNKCDZNRNIGDV-XAGWURHQSA-N 0 0 329.799 3.001 10 10 EGCERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000895826808 1309541071 /nfs/dbraw/zinc/54/10/71/1309541071.db2.gz YSEQDJQRIWSZEH-DZGCQCFKSA-N 0 0 346.814 3.410 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000896162711 1309724942 /nfs/dbraw/zinc/72/49/42/1309724942.db2.gz GUCWKTLCFJLWPH-HIFRSBDPSA-N 0 0 333.428 3.317 10 10 EGCERN O=C(C[C@H]1CCC2(CCC2)O1)NCCCSc1nccs1 ZINC000896335786 1309809883 /nfs/dbraw/zinc/80/98/83/1309809883.db2.gz YIHOMXZNPOWFNI-GFCCVEGCSA-N 0 0 326.487 3.233 10 10 EGCERN CCC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1 ZINC000896781128 1310011140 /nfs/dbraw/zinc/01/11/40/1310011140.db2.gz KCLDAUYWNHBQCI-UHFFFAOYSA-N 0 0 335.425 3.249 10 10 EGCERN Cc1cc(CC(=O)NCc2nc(C)c(C)[nH]2)c(C)n1-c1ccccc1 ZINC000896907560 1310079974 /nfs/dbraw/zinc/07/99/74/1310079974.db2.gz OQQNGUVALBJRNH-UHFFFAOYSA-N 0 0 336.439 3.293 10 10 EGCERN COC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCCC1 ZINC000897424481 1310332571 /nfs/dbraw/zinc/33/25/71/1310332571.db2.gz HEJBYJGQXPGWIM-UHFFFAOYSA-N 0 0 335.425 3.392 10 10 EGCERN O=C(NC[C@@H](CO)C1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897854602 1310492213 /nfs/dbraw/zinc/49/22/13/1310492213.db2.gz XFSVUDMMWGKGCK-ZDUSSCGKSA-N 0 0 349.452 3.231 10 10 EGCERN CO[C@@](C)([C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000897974630 1310534908 /nfs/dbraw/zinc/53/49/08/1310534908.db2.gz WMNATFSLWSWLPT-XYZCENFISA-N 0 0 335.425 3.246 10 10 EGCERN O=C(NOCCCC(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000899172812 1310966022 /nfs/dbraw/zinc/96/60/22/1310966022.db2.gz FKEXUBQFVLHNKF-UHFFFAOYSA-N 0 0 335.303 3.316 10 10 EGCERN O=C(NC[C@H]1CCC2(CCC2)O1)c1cc2cc(O)c(O)cc2s1 ZINC000899229035 1310988190 /nfs/dbraw/zinc/98/81/90/1310988190.db2.gz OTWMKYYVJKHZCW-LLVKDONJSA-N 0 0 333.409 3.144 10 10 EGCERN CO[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000857578786 1328552507 /nfs/dbraw/zinc/55/25/07/1328552507.db2.gz PXMJBBTXCCYONO-OCCSQVGLSA-N 0 0 349.386 3.216 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCC12CC2 ZINC000858201692 1328710326 /nfs/dbraw/zinc/71/03/26/1328710326.db2.gz TVDGBRJRRXTECI-GOSISDBHSA-N 0 0 328.456 3.062 10 10 EGCERN COc1ccc2c(c1)CC[C@H]2C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858199794 1328710435 /nfs/dbraw/zinc/71/04/35/1328710435.db2.gz RQECMQOLVSEMSR-HXUWFJFHSA-N 0 0 338.451 3.450 10 10 EGCERN CNC(=O)c1ccc(NC/C=C/c2ccc(N(C)C)cc2)c(OC)c1 ZINC000858217858 1328713435 /nfs/dbraw/zinc/71/34/35/1328713435.db2.gz AIYWHGYRIVNWGL-AATRIKPKSA-N 0 0 339.439 3.246 10 10 EGCERN CCCOc1cncc(NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000858256549 1328724447 /nfs/dbraw/zinc/72/44/47/1328724447.db2.gz SITAKFDBJWOIJX-UHFFFAOYSA-N 0 0 345.418 3.458 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000858274556 1328727089 /nfs/dbraw/zinc/72/70/89/1328727089.db2.gz VSQMMJFTKSPQRN-LPMFXHHGSA-N 0 0 340.423 3.453 10 10 EGCERN COc1c(F)nccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929935009 1328742623 /nfs/dbraw/zinc/74/26/23/1328742623.db2.gz OAPFWSOWLCGQQI-UHFFFAOYSA-N 0 0 343.402 3.100 10 10 EGCERN CN1CCCc2cc(NC(=O)NCc3c(O)cccc3F)ccc21 ZINC000929964301 1328751193 /nfs/dbraw/zinc/75/11/93/1328751193.db2.gz NTSAYPQSDRMBAZ-UHFFFAOYSA-N 0 0 329.375 3.235 10 10 EGCERN COc1ccc(N(CCO[C@@H]2CCOC2)Cc2ccco2)cc1F ZINC000929992308 1328759652 /nfs/dbraw/zinc/75/96/52/1328759652.db2.gz RXGZSFVKYSXOKQ-MRXNPFEDSA-N 0 0 335.375 3.239 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CCSC3(CCC3)C2)cc1 ZINC000913926883 1319179559 /nfs/dbraw/zinc/17/95/59/1319179559.db2.gz OUOVZAOKJPPYPG-OAHLLOKOSA-N 0 0 333.501 3.370 10 10 EGCERN CCOc1cccc([C@@H](C)NC(=O)NCc2c(O)cccc2F)c1 ZINC000915218231 1319447293 /nfs/dbraw/zinc/44/72/93/1319447293.db2.gz UEVFTTQNHLAZHT-GFCCVEGCSA-N 0 0 332.375 3.490 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCC3(CCC3)O2)cc1F ZINC000915365682 1319476120 /nfs/dbraw/zinc/47/61/20/1319476120.db2.gz GYEVEBGCZYPIDM-HNNXBMFYSA-N 0 0 349.450 3.183 10 10 EGCERN Cc1cc(CCNC(=O)N2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000916221531 1319621205 /nfs/dbraw/zinc/62/12/05/1319621205.db2.gz YVHRSUHDXHPQBK-INIZCTEOSA-N 0 0 341.455 3.067 10 10 EGCERN Cc1cc(CNC(=O)N(C)C[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000858906567 1328888170 /nfs/dbraw/zinc/88/81/70/1328888170.db2.gz XAJRSQGDQYDJPP-IBGZPJMESA-N 0 0 341.455 3.415 10 10 EGCERN COc1ccc(CNC(=O)NCC2(C(F)(F)F)CCCC2)c(O)c1 ZINC000858935449 1328894572 /nfs/dbraw/zinc/89/45/72/1328894572.db2.gz SIAUAKFXQBDOME-UHFFFAOYSA-N 0 0 346.349 3.323 10 10 EGCERN COc1ccc(N(C)Cc2ccncc2Br)cc1OC ZINC000859091433 1328920915 /nfs/dbraw/zinc/92/09/15/1328920915.db2.gz MWCSKUHGUHDJPY-UHFFFAOYSA-N 0 0 337.217 3.498 10 10 EGCERN Cc1cc(C(=O)COC(=O)COC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000920722232 1322211762 /nfs/dbraw/zinc/21/17/62/1322211762.db2.gz UZTBXPFAVYKOJU-UHFFFAOYSA-N 0 0 347.386 3.384 10 10 EGCERN CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)CCO1 ZINC000921841501 1322410479 /nfs/dbraw/zinc/41/04/79/1322410479.db2.gz SXBNYDJHWJUGLF-GUYCJALGSA-N 0 0 338.423 3.314 10 10 EGCERN C[C@@H](CCCc1cccnc1)NC(=O)NCc1c(O)cccc1F ZINC000922831530 1322628231 /nfs/dbraw/zinc/62/82/31/1322628231.db2.gz JLESTMNEJSGJHM-ZDUSSCGKSA-N 0 0 331.391 3.137 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)NCc2cnc(Cl)s2)cc1 ZINC000923697004 1322791502 /nfs/dbraw/zinc/79/15/02/1322791502.db2.gz HPXOSMNSLWBNFT-UHFFFAOYSA-N 0 0 338.864 3.204 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1F ZINC000931146775 1329060857 /nfs/dbraw/zinc/06/08/57/1329060857.db2.gz REXBPYSJCCGBLT-UHFFFAOYSA-N 0 0 348.358 3.070 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c2nccn2c1 ZINC000860243319 1329182230 /nfs/dbraw/zinc/18/22/30/1329182230.db2.gz KAHWBBQVBZPWEI-UHFFFAOYSA-N 0 0 335.407 3.157 10 10 EGCERN Cc1cc(F)ccc1[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925218895 1325084522 /nfs/dbraw/zinc/08/45/22/1325084522.db2.gz QXOHKPPEVSMDAN-ZDUSSCGKSA-N 0 0 342.370 3.365 10 10 EGCERN C[C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000860348344 1329307843 /nfs/dbraw/zinc/30/78/43/1329307843.db2.gz XAYGBQAABSGMOF-OCCSQVGLSA-N 0 0 345.361 3.488 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OC(C)(C)C)n1 ZINC000860696736 1329345623 /nfs/dbraw/zinc/34/56/23/1329345623.db2.gz DRFGAJHBDNHPIA-GFCCVEGCSA-N 0 0 344.411 3.031 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@H]1CCOC1 ZINC000860773157 1329353756 /nfs/dbraw/zinc/35/37/56/1329353756.db2.gz OHFSSJOGKJQTBU-INIZCTEOSA-N 0 0 340.423 3.063 10 10 EGCERN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000927015524 1327821968 /nfs/dbraw/zinc/82/19/68/1327821968.db2.gz RBIGHCQBXSJSBJ-DGCLKSJQSA-N 0 0 327.371 3.049 10 10 EGCERN C[C@@H](NC(=O)NCC[C@H]1OCCc2ccccc21)c1ccccc1O ZINC000927675419 1328100882 /nfs/dbraw/zinc/10/08/82/1328100882.db2.gz XHTGWMLABSPOEA-AUUYWEPGSA-N 0 0 340.423 3.457 10 10 EGCERN COc1ccccc1CC(C)(C)C(=O)NCc1c(O)cccc1F ZINC000928706107 1328403206 /nfs/dbraw/zinc/40/32/06/1328403206.db2.gz QKDWAWFJQNWNBO-UHFFFAOYSA-N 0 0 331.387 3.425 10 10 EGCERN O=C(C[C@@H]1CCc2sccc2C1=O)NCc1c(O)cccc1F ZINC000928710268 1328405688 /nfs/dbraw/zinc/40/56/88/1328405688.db2.gz SBZQGCIXJZPLJA-JTQLQIEISA-N 0 0 333.384 3.044 10 10 EGCERN CCc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2F)cc1 ZINC000928709860 1328405707 /nfs/dbraw/zinc/40/57/07/1328405707.db2.gz MPKMTXAWOWHYNC-UHFFFAOYSA-N 0 0 329.371 3.373 10 10 EGCERN CC[C@H](Nc1cccnc1Cl)C(=O)NCc1c(O)cccc1F ZINC000928711256 1328407076 /nfs/dbraw/zinc/40/70/76/1328407076.db2.gz MHUVRNOVGVJDSG-LBPRGKRZSA-N 0 0 337.782 3.087 10 10 EGCERN Nc1ccc(CCNC(=O)NC2(c3c(F)cccc3F)CCC2)cc1 ZINC000861639164 1329433566 /nfs/dbraw/zinc/43/35/66/1329433566.db2.gz AVJXYYDIBVFWSX-UHFFFAOYSA-N 0 0 345.393 3.468 10 10 EGCERN C[C@@H]1C(=O)CC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC000862025929 1329455738 /nfs/dbraw/zinc/45/57/38/1329455738.db2.gz CCWPYFXVUHSVSH-IUODEOHRSA-N 0 0 340.423 3.198 10 10 EGCERN CC[C@@H]1C[C@@H](CC(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027120 1329455787 /nfs/dbraw/zinc/45/57/87/1329455787.db2.gz JRUBDRFLMLZNFG-XJKSGUPXSA-N 0 0 328.412 3.152 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)c3ccco3)C2)cc1 ZINC000862158240 1329463393 /nfs/dbraw/zinc/46/33/93/1329463393.db2.gz FGNPUOKIGGPWOD-HUUCEWRRSA-N 0 0 328.412 3.177 10 10 EGCERN Oc1ccc(F)cc1CN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000862534462 1329493539 /nfs/dbraw/zinc/49/35/39/1329493539.db2.gz GRGZCTMEZDIOFN-UHFFFAOYSA-N 0 0 339.414 3.330 10 10 EGCERN Cc1cncn1CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863160218 1329531307 /nfs/dbraw/zinc/53/13/07/1329531307.db2.gz VOWGSIJQLAIKKO-UHFFFAOYSA-N 0 0 336.439 3.224 10 10 EGCERN CCOC(=O)C[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000863474051 1329556725 /nfs/dbraw/zinc/55/67/25/1329556725.db2.gz ICFMXFLLORBERQ-ZDUSSCGKSA-N 0 0 341.835 3.023 10 10 EGCERN CN(C)c1ccc(CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)cc1 ZINC000863500147 1329559190 /nfs/dbraw/zinc/55/91/90/1329559190.db2.gz OIWQMZSTTVHPEI-IBGZPJMESA-N 0 0 329.444 3.143 10 10 EGCERN Cc1cc(CN2C(=O)N[C@](C)(CCF)C2=O)c(C)n1-c1ccccc1 ZINC000863532306 1329560826 /nfs/dbraw/zinc/56/08/26/1329560826.db2.gz LYLGLWGDLYSQTN-LJQANCHMSA-N 0 0 343.402 3.264 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(C)n1-c1ccccc1C ZINC000863731236 1329578386 /nfs/dbraw/zinc/57/83/86/1329578386.db2.gz OMARGSKQRJXGMY-PWIZWCRZSA-N 0 0 338.451 3.388 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000864633982 1329632415 /nfs/dbraw/zinc/63/24/15/1329632415.db2.gz GKEISADUGMJNBT-QZTJIDSGSA-N 0 0 330.472 3.164 10 10 EGCERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@@H](C)O1 ZINC000864637000 1329633091 /nfs/dbraw/zinc/63/30/91/1329633091.db2.gz DWUSXHPAHMVASF-GPMSIDNRSA-N 0 0 330.472 3.449 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2c(Cl)n[nH]c2C2CC2)cc1F ZINC000865051486 1329665352 /nfs/dbraw/zinc/66/53/52/1329665352.db2.gz MAONVRPLYYTHJP-UHFFFAOYSA-N 0 0 336.798 3.076 10 10 EGCERN O=C(NCCCSc1nccs1)c1scnc1C(F)F ZINC000865784032 1329738191 /nfs/dbraw/zinc/73/81/91/1329738191.db2.gz VMHIYFUMQAHOCG-UHFFFAOYSA-N 0 0 335.426 3.449 10 10 EGCERN Cn1cc(C(F)F)c(CNCc2c(O)cccc2Br)n1 ZINC000865807251 1329740558 /nfs/dbraw/zinc/74/05/58/1329740558.db2.gz PTOYQBRSEMJQBE-UHFFFAOYSA-N 0 0 346.175 3.116 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2nc([C@@H]3C[C@H]3C)no2)cc1 ZINC000865894509 1329749685 /nfs/dbraw/zinc/74/96/85/1329749685.db2.gz NMJNLIZFBIZUJW-CZUORRHYSA-N 0 0 342.443 3.311 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2c3ccccc3CN2C)c1 ZINC000866564205 1330127270 /nfs/dbraw/zinc/12/72/70/1330127270.db2.gz SGVXZCOVZRXYQF-SCLBCKFNSA-N 0 0 340.423 3.016 10 10 EGCERN Cc1cnc(F)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000866898772 1330155991 /nfs/dbraw/zinc/15/59/91/1330155991.db2.gz YFWSRPQYUZLFIA-HNNXBMFYSA-N 0 0 344.386 3.056 10 10 EGCERN CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868027918 1330241999 /nfs/dbraw/zinc/24/19/99/1330241999.db2.gz MIIPVPRYHUMXRG-STQMWFEESA-N 0 0 341.411 3.472 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)cc1 ZINC000868955575 1330380710 /nfs/dbraw/zinc/38/07/10/1330380710.db2.gz CDKMJOVTHAOTKQ-ZTFGCOKTSA-N 0 0 330.472 3.320 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCC(OCC3CC3)CC2)cc1OC ZINC001185519468 1387737443 /nfs/dbraw/zinc/73/74/43/1387737443.db2.gz ZPZSMHQPBOIHGA-UHFFFAOYSA-N 0 0 336.388 3.007 10 10 EGCERN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@](C)(CO)C2)c1 ZINC001325136407 1387903249 /nfs/dbraw/zinc/90/32/49/1387903249.db2.gz OFFFROFUBMUXFR-HNNXBMFYSA-N 0 0 328.250 3.058 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@]34CCOC4)c2C)cc1 ZINC001325463012 1387981555 /nfs/dbraw/zinc/98/15/55/1387981555.db2.gz VWOLDSPKCNBRRQ-HXUWFJFHSA-N 0 0 340.423 3.108 10 10 EGCERN CN(C)c1ccc(/C=C\CNc2ccnn2C[C@H]2CCOC2)cc1 ZINC001325575207 1388005557 /nfs/dbraw/zinc/00/55/57/1388005557.db2.gz WJYYVLQRJCXPFM-CWIOURORSA-N 0 0 326.444 3.111 10 10 EGCERN CCOc1ccc(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC001116352026 1370891723 /nfs/dbraw/zinc/89/17/23/1370891723.db2.gz PCXCYZGZBCPTDQ-UHFFFAOYSA-N 0 0 347.440 3.377 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001118156104 1371139910 /nfs/dbraw/zinc/13/99/10/1371139910.db2.gz ZTGRZJJAQOQNKR-DLBZAZTESA-N 0 0 334.435 3.010 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001118741241 1371219460 /nfs/dbraw/zinc/21/94/60/1371219460.db2.gz UVZZCYJRSYJORZ-PJQZNRQZSA-N 0 0 325.355 3.259 10 10 EGCERN CCCCCCO[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001127188791 1373101258 /nfs/dbraw/zinc/10/12/58/1373101258.db2.gz CIHLPHNAJDWBET-KRWDZBQOSA-N 0 0 348.487 3.329 10 10 EGCERN Cc1cc(CC(=O)N[C@]2(C)CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC001127890903 1373196838 /nfs/dbraw/zinc/19/68/38/1373196838.db2.gz RBHVDCKKYFZNMY-OXJNMPFZSA-N 0 0 326.440 3.320 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)c1ccc(C2OCCO2)cc1 ZINC001128704348 1373304459 /nfs/dbraw/zinc/30/44/59/1373304459.db2.gz HIUGKZLBOJDIES-UHFFFAOYSA-N 0 0 345.742 3.174 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COC1CCCCC1 ZINC001129973711 1373442019 /nfs/dbraw/zinc/44/20/19/1373442019.db2.gz KTTVPSSVWNVLPS-MRXNPFEDSA-N 0 0 332.488 3.458 10 10 EGCERN CC/C(C)=C(/C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032168 1375107789 /nfs/dbraw/zinc/10/77/89/1375107789.db2.gz MPSPRZKQGSIKNV-PFONDFGASA-N 0 0 332.444 3.099 10 10 EGCERN CC(C)n1ccnc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001135800537 1377214490 /nfs/dbraw/zinc/21/44/90/1377214490.db2.gz IOEJLOISSYVAJA-UHFFFAOYSA-N 0 0 326.444 3.336 10 10 EGCERN CCCNC(=O)c1ccc(Cl)cc1NC(=O)C1=CC(=O)CS1 ZINC001136301217 1377373734 /nfs/dbraw/zinc/37/37/34/1377373734.db2.gz VEGMNHRTMXRBMJ-UHFFFAOYSA-N 0 0 338.816 3.499 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)c1cccc(O)c1 ZINC001136743053 1377418885 /nfs/dbraw/zinc/41/88/85/1377418885.db2.gz GXMYRXBGGUYXLO-UHFFFAOYSA-N 0 0 326.440 3.361 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(Cl)c2N)c1 ZINC001137473234 1377553939 /nfs/dbraw/zinc/55/39/39/1377553939.db2.gz COCQUALXQCGJOU-SNVBAGLBSA-N 0 0 334.803 3.436 10 10 EGCERN CCO[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001139563016 1377908248 /nfs/dbraw/zinc/90/82/48/1377908248.db2.gz GDCFFUAOIMQPOJ-MRXNPFEDSA-N 0 0 340.383 3.357 10 10 EGCERN Cc1cc(C(=O)NC[C@@H](CO)C(C)C)c(C)n1-c1cccc(C)c1 ZINC001140146599 1378020838 /nfs/dbraw/zinc/02/08/38/1378020838.db2.gz HLKJKEQSBLWTBB-KRWDZBQOSA-N 0 0 328.456 3.397 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC001140863587 1378162389 /nfs/dbraw/zinc/16/23/89/1378162389.db2.gz RWUQWLHAGUJECY-DWMUBGRBSA-N 0 0 349.308 3.332 10 10 EGCERN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc2O1 ZINC001141184131 1378262064 /nfs/dbraw/zinc/26/20/64/1378262064.db2.gz MAHAQUJJDOEBSP-AXYMLXJTSA-N 0 0 325.364 3.140 10 10 EGCERN O=Cc1c[nH]c2cc(C(=O)NCc3ccc4cccnc4c3O)ccc12 ZINC001142731207 1378482674 /nfs/dbraw/zinc/48/26/74/1378482674.db2.gz OTNTZZFLLJYNFL-UHFFFAOYSA-N 0 0 345.358 3.164 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCc2cc(F)ccc21 ZINC001142731367 1378482784 /nfs/dbraw/zinc/48/27/84/1378482784.db2.gz WAOLEXROQAEWND-QGZVFWFLSA-N 0 0 336.366 3.426 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cc(F)c(F)c(F)c1 ZINC001142728654 1378482795 /nfs/dbraw/zinc/48/27/95/1378482795.db2.gz ZGFKZJDSJWSBLL-UHFFFAOYSA-N 0 0 332.281 3.288 10 10 EGCERN C[C@]1(C(=O)NCc2ccc3cccnc3c2O)OCCc2ccccc21 ZINC001142730910 1378482838 /nfs/dbraw/zinc/48/28/38/1378482838.db2.gz HTDDVPFWJGKZAB-NRFANRHFSA-N 0 0 348.402 3.045 10 10 EGCERN CCc1cc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n[nH]1 ZINC001142811971 1378490864 /nfs/dbraw/zinc/49/08/64/1378490864.db2.gz FNDKQMZQXSLKDR-UHFFFAOYSA-N 0 0 336.395 3.444 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)c2c1cccc2F ZINC001142983133 1378521337 /nfs/dbraw/zinc/52/13/37/1378521337.db2.gz DJJSXPDFDFGKQH-UHFFFAOYSA-N 0 0 327.355 3.248 10 10 EGCERN O=C(NCCCSc1nccs1)c1cccc2nsnc21 ZINC001144321943 1378716764 /nfs/dbraw/zinc/71/67/64/1378716764.db2.gz DFLCPZAYZAFPCR-UHFFFAOYSA-N 0 0 336.467 3.060 10 10 EGCERN Cc1cc(C(=O)N2CCN(C)[C@H](C)C2)c(C)n1-c1ccccc1C ZINC001146517571 1378858174 /nfs/dbraw/zinc/85/81/74/1378858174.db2.gz RKZXAGHJEVKKLC-MRXNPFEDSA-N 0 0 325.456 3.179 10 10 EGCERN CO[C@]1(C)C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001147881600 1379097080 /nfs/dbraw/zinc/09/70/80/1379097080.db2.gz MZZYFXGMDJKVOK-WMLDXEAASA-N 0 0 335.425 3.246 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\C=C(Cl)Cl ZINC001147888151 1379097449 /nfs/dbraw/zinc/09/74/49/1379097449.db2.gz KFZAFCDKVLEJRE-HYXAFXHYSA-N 0 0 327.211 3.353 10 10 EGCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1c1ccccc1 ZINC001148038963 1379108551 /nfs/dbraw/zinc/10/85/51/1379108551.db2.gz PUFKJZXTWPZQNH-PBHICJAKSA-N 0 0 325.408 3.293 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NC2CCC3(CCOCC3)CC2)cc1 ZINC001149140055 1379332800 /nfs/dbraw/zinc/33/28/00/1379332800.db2.gz RNDMBGSAYWHMGL-UHFFFAOYSA-N 0 0 344.415 3.318 10 10 EGCERN CC(C)(C)c1nc(C(=O)NCc2c(O)ccc3c2CCCC3)co1 ZINC001150385814 1379543325 /nfs/dbraw/zinc/54/33/25/1379543325.db2.gz GNVMWWGSOYUYSQ-UHFFFAOYSA-N 0 0 328.412 3.487 10 10 EGCERN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(O)c1O)CCC2 ZINC001151515264 1379729333 /nfs/dbraw/zinc/72/93/33/1379729333.db2.gz YGEBBPVSTUAPIR-INIZCTEOSA-N 0 0 327.380 3.222 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2c1COCC2 ZINC001328113055 1388676522 /nfs/dbraw/zinc/67/65/22/1388676522.db2.gz HKJROYIZRDFBMU-UHFFFAOYSA-N 0 0 336.435 3.290 10 10 EGCERN COc1ccc(N2CCN(C(=O)C3(C)CCCCC3)CC2)c(OC)c1 ZINC001287485539 1381220887 /nfs/dbraw/zinc/22/08/87/1381220887.db2.gz UMNWPHOWYVSUFI-UHFFFAOYSA-N 0 0 346.471 3.323 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](CF)C2)CCCC1 ZINC001288289206 1381768089 /nfs/dbraw/zinc/76/80/89/1381768089.db2.gz AYRWXSADBHKYCN-AWEZNQCLSA-N 0 0 344.430 3.347 10 10 EGCERN Cc1ccc(Cn2c(C3CC3)nnc2N(C)Cc2ccccc2O)cn1 ZINC001289675667 1382008176 /nfs/dbraw/zinc/00/81/76/1382008176.db2.gz NSZWNMZVWGVGJD-UHFFFAOYSA-N 0 0 349.438 3.249 10 10 EGCERN CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001293683165 1382335253 /nfs/dbraw/zinc/33/52/53/1382335253.db2.gz ZFHWXLGNLXXCHZ-IAGOWNOFSA-N 0 0 335.444 3.083 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC001161640342 1382467810 /nfs/dbraw/zinc/46/78/10/1382467810.db2.gz BYTATKTVDMNSRD-SJORKVTESA-N 0 0 348.393 3.373 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328624029 1388791713 /nfs/dbraw/zinc/79/17/13/1388791713.db2.gz LSKIAROBJONFGF-PRJMDXOYSA-N 0 0 327.718 3.496 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccnc2N2CCCC2)cc1 ZINC001163354552 1383029603 /nfs/dbraw/zinc/02/96/03/1383029603.db2.gz JTNFKFJUILEQBV-UHFFFAOYSA-N 0 0 338.371 3.097 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(OC)CCCCCC1 ZINC001297563095 1383185456 /nfs/dbraw/zinc/18/54/56/1383185456.db2.gz WIMBNVVZTAKTFV-UHFFFAOYSA-N 0 0 326.433 3.234 10 10 EGCERN COc1ccc2c(c1)OCC(C(=O)NCc1cc(Cl)ccc1O)=C2 ZINC001165498429 1383302900 /nfs/dbraw/zinc/30/29/00/1383302900.db2.gz NKUZEFUCVDVFCH-UHFFFAOYSA-N 0 0 345.782 3.146 10 10 EGCERN COc1cncc(NC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC001166845721 1383486683 /nfs/dbraw/zinc/48/66/83/1383486683.db2.gz LKBIOQLUJSIBHM-UHFFFAOYSA-N 0 0 328.397 3.207 10 10 EGCERN Cc1cc(CNC(=O)CC2(O)CCCC2)c(C)n1-c1ccccc1 ZINC001302263367 1383746242 /nfs/dbraw/zinc/74/62/42/1383746242.db2.gz VWWSPRKJIWZWMR-UHFFFAOYSA-N 0 0 326.440 3.406 10 10 EGCERN Cc1nn(C)c(Cl)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304089713 1383828930 /nfs/dbraw/zinc/82/89/30/1383828930.db2.gz HWKBPKDPEXLGOP-UHFFFAOYSA-N 0 0 329.787 3.171 10 10 EGCERN C[C@@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307076397 1383936999 /nfs/dbraw/zinc/93/69/99/1383936999.db2.gz CAZPOKPWKXWDOP-QWHCGFSZSA-N 0 0 328.368 3.397 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncc(Br)cc1F ZINC001307091854 1383938995 /nfs/dbraw/zinc/93/89/95/1383938995.db2.gz HTAVBSMVCGNEES-MRVPVSSYSA-N 0 0 341.180 3.438 10 10 EGCERN COc1cc2c(c(OC)c1)N(CC(=O)N(C)[C@H](C)CC(C)C)CCC2 ZINC001307841811 1384040844 /nfs/dbraw/zinc/04/08/44/1384040844.db2.gz JXCLUMBWADDFND-OAHLLOKOSA-N 0 0 348.487 3.349 10 10 EGCERN C[C@H]1CSC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001312670450 1384364800 /nfs/dbraw/zinc/36/48/00/1384364800.db2.gz YNHAKDGHPJCFOY-WMLDXEAASA-N 0 0 333.501 3.180 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)NC3C(C)(C)C3(C)C)C2)cc1 ZINC001312903361 1384378636 /nfs/dbraw/zinc/37/86/36/1384378636.db2.gz XYDIDPRSOMVTIT-CQSZACIVSA-N 0 0 345.487 3.255 10 10 EGCERN CCc1nnc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)s1 ZINC001170858795 1384400309 /nfs/dbraw/zinc/40/03/09/1384400309.db2.gz QAVBOYUHNSAYLI-UHFFFAOYSA-N 0 0 340.452 3.438 10 10 EGCERN O=C(COc1ccc2ccccc2c1)NCc1c(O)cccc1F ZINC001178410282 1386209149 /nfs/dbraw/zinc/20/91/49/1386209149.db2.gz PCPVJYXNYZTFQF-UHFFFAOYSA-N 0 0 325.339 3.380 10 10 EGCERN COC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCCCC1 ZINC001180170417 1386720336 /nfs/dbraw/zinc/72/03/36/1386720336.db2.gz GCWLRDVSTJQKDU-UHFFFAOYSA-N 0 0 332.404 3.318 10 10 EGCERN COc1cccc2[nH]cc(CC(=O)NCc3cccc(Cl)c3O)c21 ZINC001180410203 1386787568 /nfs/dbraw/zinc/78/75/68/1386787568.db2.gz MABOATBHYXHRJF-UHFFFAOYSA-N 0 0 344.798 3.394 10 10 EGCERN CO[C@@H]1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC001321777265 1386981788 /nfs/dbraw/zinc/98/17/88/1386981788.db2.gz LHQZXKVUWDXPEL-HZPDHXFCSA-N 0 0 344.411 3.265 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001329570112 1389160168 /nfs/dbraw/zinc/16/01/68/1389160168.db2.gz DTNQLTCISJEELA-PCGAWMICSA-N 0 0 325.355 3.263 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001330926272 1389566357 /nfs/dbraw/zinc/56/63/57/1389566357.db2.gz AWVNFMLHJXGMGB-VIFPVBQESA-N 0 0 343.330 3.240 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001339290442 1389976362 /nfs/dbraw/zinc/97/63/62/1389976362.db2.gz SALFXIZVBFKDPV-UFRUDQCGSA-N 0 0 338.451 3.327 10 10 EGCERN C[C@H](NC(=O)NCCc1ccc(N(C)C)cc1)c1ccccc1O ZINC001332118921 1389995455 /nfs/dbraw/zinc/99/54/55/1389995455.db2.gz HNAKEJQVYZWHNV-AWEZNQCLSA-N 0 0 327.428 3.061 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)c1ncc(Cl)s1 ZINC001341848320 1390536900 /nfs/dbraw/zinc/53/69/00/1390536900.db2.gz CMTHCZVQPNYHNT-UHFFFAOYSA-N 0 0 347.621 3.195 10 10 EGCERN C[C@@H](NC(=O)[C@@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001346592531 1390959137 /nfs/dbraw/zinc/95/91/37/1390959137.db2.gz VPIIIEYDKHVBDX-UZLBHIALSA-N 0 0 340.467 3.486 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H](CCCO)c2ccccc2)c1 ZINC001346694222 1390970837 /nfs/dbraw/zinc/97/08/37/1390970837.db2.gz BAJDUODVZOUXNY-WMLDXEAASA-N 0 0 343.423 3.134 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)c3nc(C4CC4)cs3)C2)cc1 ZINC001347109319 1391001367 /nfs/dbraw/zinc/00/13/67/1391001367.db2.gz JNUIRROYGIRWGP-CYBMUJFWSA-N 0 0 343.452 3.038 10 10 EGCERN CC1(C)C[C@@]1(C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 ZINC001347233321 1391035693 /nfs/dbraw/zinc/03/56/93/1391035693.db2.gz IJZNPHRQNTVUFE-IBGZPJMESA-N 0 0 329.371 3.221 10 10 EGCERN CCOC1CC2(C[C@H]2C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001351178908 1391607419 /nfs/dbraw/zinc/60/74/19/1391607419.db2.gz USYFDQDZHOVFPH-SCCNAQOGSA-N 0 0 342.483 3.450 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccn(C(F)F)n1 ZINC001351673145 1391668783 /nfs/dbraw/zinc/66/87/83/1391668783.db2.gz IPYFFJTWHPSLRQ-UHFFFAOYSA-N 0 0 334.370 3.151 10 10 EGCERN Cn1c(C2SC=CC2=O)nnc1N1CCc2cc(F)cc(F)c2C1 ZINC001353532093 1392033737 /nfs/dbraw/zinc/03/37/37/1392033737.db2.gz VLNADYZHFISKPU-UHFFFAOYSA-N 0 0 348.378 3.090 10 10 EGCERN COCCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1O ZINC001712394847 1417491183 /nfs/dbraw/zinc/49/11/83/1417491183.db2.gz LCYKIQVSHIQWSL-UHFFFAOYSA-N 0 0 346.475 3.245 10 10 EGCERN Cc1nnc(N(C)CC(C)C)n1CCCSc1nccs1 ZINC001726353186 1427047833 /nfs/dbraw/zinc/04/78/33/1427047833.db2.gz RCMSQQKWHNBZPY-UHFFFAOYSA-N 0 0 325.507 3.318 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001726375120 1427053024 /nfs/dbraw/zinc/05/30/24/1427053024.db2.gz HFULHIUEXNMLSK-CABCVRRESA-N 0 0 339.487 3.252 10 10 EGCERN CC(C)c1nnc(N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001750638356 1440108312 /nfs/dbraw/zinc/10/83/12/1440108312.db2.gz WYTCJMBPSQXJPG-UHFFFAOYSA-N 0 0 331.439 3.255 10 10 EGCERN O=C1c2ccccc2N[C@@H](c2cc(O)c(O)c(Cl)c2)N1C1CC1 ZINC000007364410 210789111 /nfs/dbraw/zinc/78/91/11/210789111.db2.gz XEERWWMTHDIXGX-MRXNPFEDSA-N 0 0 330.771 3.480 10 10 EGCERN CCN1c2ccccc2/C(=C2\SC(=S)N(CC(C)C)C2=O)C1=O ZINC000033339469 276254892 /nfs/dbraw/zinc/25/48/92/276254892.db2.gz SHMBJLGKZZKKGS-BUHFOSPRSA-N 0 0 346.477 3.281 10 10 EGCERN CCn1nc(C)c(CN(C)c2cc(OC)c(OC)c(OC)c2)c1C ZINC000180757351 455240159 /nfs/dbraw/zinc/24/01/59/455240159.db2.gz CALXSWQWPAYSFP-UHFFFAOYSA-N 0 0 333.432 3.182 10 10 EGCERN CCc1ccc(N2NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 ZINC000002125504 452686800 /nfs/dbraw/zinc/68/68/00/452686800.db2.gz VMIKQDDLZRCAJR-GZTJUZNOSA-N 0 0 331.375 3.192 10 10 EGCERN CCCC1=NN2C(=NC(=O)/C(=C/c3ccccc3OC)C2=N)S1 ZINC000033306302 453913792 /nfs/dbraw/zinc/91/37/92/453913792.db2.gz PRADIUKGMBKSMK-FHVGZQBWSA-N 0 0 328.397 3.114 10 10 EGCERN COC(=O)/C=C/c1ccc(N2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000078494820 454263710 /nfs/dbraw/zinc/26/37/10/454263710.db2.gz AYEUDGUJYCBHLI-MNHHLFBFSA-N 0 0 336.413 3.111 10 10 EGCERN CCOc1cccc(CN2CCO[C@@H](c3cccc(OC)c3)C2)c1O ZINC000093079835 454678876 /nfs/dbraw/zinc/67/88/76/454678876.db2.gz WURXNRCXZLOPRK-LJQANCHMSA-N 0 0 343.423 3.373 10 10 EGCERN COc1cc(N(C)CCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000125761930 454844573 /nfs/dbraw/zinc/84/45/73/454844573.db2.gz ATISDEGQLAXQGW-UHFFFAOYSA-N 0 0 346.383 3.300 10 10 EGCERN Cc1nc([C@H](NCc2cc(C)ccc2O)c2ccccc2F)no1 ZINC000114773299 454977969 /nfs/dbraw/zinc/97/79/69/454977969.db2.gz GXDMCOYHLKFONE-QGZVFWFLSA-N 0 0 327.359 3.410 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(CO)c(F)c1 ZINC000170997142 455012936 /nfs/dbraw/zinc/01/29/36/455012936.db2.gz XSLMBNDXTDONFY-UHFFFAOYSA-N 0 0 346.402 3.145 10 10 EGCERN Cc1cc(Cl)cc(C[NH+]2CCC(Nc3cccnn3)CC2)c1O ZINC000180079871 455128465 /nfs/dbraw/zinc/12/84/65/455128465.db2.gz LOAUUQSROMOEAB-UHFFFAOYSA-N 0 0 332.835 3.221 10 10 EGCERN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000180121310 455135055 /nfs/dbraw/zinc/13/50/55/455135055.db2.gz PMMLBVCEZJFNCL-AWEZNQCLSA-N 0 0 334.851 3.166 10 10 EGCERN O=C(NCCc1ccsc1)NCc1ccc(N2CC=CC2)cc1 ZINC000172693461 455173943 /nfs/dbraw/zinc/17/39/43/455173943.db2.gz AOCIFXGMMAMFCH-UHFFFAOYSA-N 0 0 327.453 3.166 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000183451178 455295151 /nfs/dbraw/zinc/29/51/51/455295151.db2.gz CZCNVZUHFOYETH-DRZSPHRISA-N 0 0 347.361 3.227 10 10 EGCERN COc1ccc(N(Cc2ccco2)C[C@H](O)C(F)(F)F)cc1F ZINC000181763615 455380169 /nfs/dbraw/zinc/38/01/69/455380169.db2.gz PIFYYUWDMDLMDR-AWEZNQCLSA-N 0 0 333.281 3.357 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H]2CCOc3c(C)cccc32)c1O ZINC000191896414 455529999 /nfs/dbraw/zinc/52/99/99/455529999.db2.gz KAWFYPNYKLDUSR-OAHLLOKOSA-N 0 0 342.395 3.032 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246931911 455536504 /nfs/dbraw/zinc/53/65/04/455536504.db2.gz SAZMYUVAGQSEDE-KBAYOESNSA-N 0 0 344.455 3.271 10 10 EGCERN C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])NC(=O)OC(C)(C)C ZINC000185979731 455667749 /nfs/dbraw/zinc/66/77/49/455667749.db2.gz GKEDMQDJWUCDHW-NEPJUHHUSA-N 0 0 326.412 3.485 10 10 EGCERN COc1cccc(CNC(=O)Nc2cc(C)c(OC)cc2C)c1O ZINC000278448210 455836572 /nfs/dbraw/zinc/83/65/72/455836572.db2.gz FZAWYDXTNPHNBZ-UHFFFAOYSA-N 0 0 330.384 3.348 10 10 EGCERN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295495496 455850851 /nfs/dbraw/zinc/85/08/51/455850851.db2.gz XZQSXXCBEQZBDC-LBPRGKRZSA-N 0 0 342.842 3.169 10 10 EGCERN Cc1csc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3)CCC2)n1 ZINC000272350672 455922956 /nfs/dbraw/zinc/92/29/56/455922956.db2.gz AYPPYNJAYZAYQM-GQCTYLIASA-N 0 0 330.409 3.072 10 10 EGCERN CCc1cc(NCCc2ccc(O)c(O)c2)nc(-c2ccccn2)n1 ZINC000301595327 456156360 /nfs/dbraw/zinc/15/63/60/456156360.db2.gz RVEBBSHVMHJSGJ-UHFFFAOYSA-N 0 0 336.395 3.167 10 10 EGCERN Cc1cccc2c1ncnc2N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000301707367 456192110 /nfs/dbraw/zinc/19/21/10/456192110.db2.gz SUTFXPDAKWVODD-UHFFFAOYSA-N 0 0 348.450 3.411 10 10 EGCERN CCOc1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)ccc1O ZINC000297361157 456198697 /nfs/dbraw/zinc/19/86/97/456198697.db2.gz FVSLLPBUNBZEAX-UHFFFAOYSA-N 0 0 347.411 3.453 10 10 EGCERN CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2O)no1 ZINC000290092012 456236974 /nfs/dbraw/zinc/23/69/74/456236974.db2.gz HLYUHCSNFAILJR-VHSXEESVSA-N 0 0 325.796 3.377 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCOC1(C)C ZINC000298102093 456364568 /nfs/dbraw/zinc/36/45/68/456364568.db2.gz MHQCNEHYIOCVRE-QGZVFWFLSA-N 0 0 333.476 3.240 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCS[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000302723445 456384914 /nfs/dbraw/zinc/38/49/14/456384914.db2.gz IOAUCULQGVSZMZ-FVOPLDGLSA-N 0 0 336.413 3.113 10 10 EGCERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000277359668 456795529 /nfs/dbraw/zinc/79/55/29/456795529.db2.gz FELBQPFOGISVAQ-WFASDCNBSA-N 0 0 338.423 3.266 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000371279941 457848202 /nfs/dbraw/zinc/84/82/02/457848202.db2.gz MFYKKSZAYYUZRS-INIZCTEOSA-N 0 0 334.423 3.105 10 10 EGCERN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC2)C1 ZINC000436460975 458306465 /nfs/dbraw/zinc/30/64/65/458306465.db2.gz ZIVDPEWGNOXEOR-UHFFFAOYSA-N 0 0 325.456 3.030 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCOCC3)cc2)CC1 ZINC000377319982 458496337 /nfs/dbraw/zinc/49/63/37/458496337.db2.gz GIJYDMNXWBYDQW-SFHVURJKSA-N 0 0 330.472 3.356 10 10 EGCERN CC1(C)CCC[C@@H]1CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000530200848 458714835 /nfs/dbraw/zinc/71/48/35/458714835.db2.gz XXONWCYLGJYQAU-OAHLLOKOSA-N 0 0 330.428 3.373 10 10 EGCERN C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1[O-] ZINC000530218311 458721812 /nfs/dbraw/zinc/72/18/12/458721812.db2.gz VWSNLHJPDSURCU-TVQRCGJNSA-N 0 0 343.240 3.229 10 10 EGCERN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C[C@H]2C)C1 ZINC000525939685 459517485 /nfs/dbraw/zinc/51/74/85/459517485.db2.gz CFODEROYOVZQSM-HZPDHXFCSA-N 0 0 339.483 3.417 10 10 EGCERN CO[C@@H](COc1ccc2c(c1)c1c(n2C)CCCC1)[C@@H]1CCOC1 ZINC000664104830 461943356 /nfs/dbraw/zinc/94/33/56/461943356.db2.gz MWWZZYANVIUSBC-VLIAUNLRSA-N 0 0 329.440 3.487 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000513685363 548015717 /nfs/dbraw/zinc/01/57/17/548015717.db2.gz ZBFUWFZTWIQOLA-NEPJUHHUSA-N 0 0 342.361 3.457 10 10 EGCERN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(N2CCCC2=O)cc1 ZINC000732278595 575253879 /nfs/dbraw/zinc/25/38/79/575253879.db2.gz CIHVFRIRVANTNS-NSHDSACASA-N 0 0 330.409 3.072 10 10 EGCERN COc1cccc(C[C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000732989436 575299306 /nfs/dbraw/zinc/29/93/06/575299306.db2.gz IMZMPPLWNUPMQG-OAHLLOKOSA-N 0 0 341.455 3.192 10 10 EGCERN COc1ccc(O)c(CNC(=O)c2c[nH]c3cc(Cl)ccc32)c1 ZINC000734017370 575427666 /nfs/dbraw/zinc/42/76/66/575427666.db2.gz HBCHAMVBSKVHAU-UHFFFAOYSA-N 0 0 330.771 3.466 10 10 EGCERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)nn1-c1ccccc1 ZINC000734402401 575480139 /nfs/dbraw/zinc/48/01/39/575480139.db2.gz HPLLHXGLSNTTJN-UHFFFAOYSA-N 0 0 348.450 3.485 10 10 EGCERN O=C(NCCc1c[nH]c2ccc(F)cc12)NCc1ccccc1O ZINC000735184993 575616300 /nfs/dbraw/zinc/61/63/00/575616300.db2.gz HODPXDNVMWTYRW-UHFFFAOYSA-N 0 0 327.359 3.055 10 10 EGCERN O=C(/C=C\C1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000735463253 575665066 /nfs/dbraw/zinc/66/50/66/575665066.db2.gz HMCAIRDEGFWMOM-FLIBITNWSA-N 0 0 328.456 3.276 10 10 EGCERN Cc1cc(CCNC(=O)N[C@@H](C)C(C)(C)O)c(C)n1-c1ccccc1 ZINC000738968734 576371274 /nfs/dbraw/zinc/37/12/74/576371274.db2.gz HXIADZKHZACAKA-INIZCTEOSA-N 0 0 343.471 3.095 10 10 EGCERN CC(C)[C@@H](O)CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000741083030 576654057 /nfs/dbraw/zinc/65/40/57/576654057.db2.gz KMWNPOCYZHYDJS-IBGZPJMESA-N 0 0 347.503 3.272 10 10 EGCERN Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2O)c(C)n1-c1ccccc1C ZINC000742774340 576795204 /nfs/dbraw/zinc/79/52/04/576795204.db2.gz GZUVKUYBYZFBSA-QFBILLFUSA-N 0 0 326.440 3.293 10 10 EGCERN CC(=O)Nc1cccc(NC(=S)NNc2cccc(F)c2F)c1 ZINC000743004619 576799504 /nfs/dbraw/zinc/79/95/04/576799504.db2.gz LKJQRNLZLGOBOB-UHFFFAOYSA-N 0 0 336.367 3.237 10 10 EGCERN COc1ccc(N2CCN(Cc3cccc(OC)c3F)CC2)cc1 ZINC000192934711 1295817463 /nfs/dbraw/zinc/81/74/63/1295817463.db2.gz PGCRISGCTNRUFE-UHFFFAOYSA-N 0 0 330.403 3.165 10 10 EGCERN O=C(c1sc(N2CCCC2)nc1Cl)N1Cc2cccc(O)c2C1 ZINC000871201166 1296269765 /nfs/dbraw/zinc/26/97/65/1296269765.db2.gz QZYFHECDRWQFPG-UHFFFAOYSA-N 0 0 349.843 3.258 10 10 EGCERN CC[C@H](C)c1nc(C)c(CC(=O)N2Cc3cccc(O)c3C2)c(C)n1 ZINC000871205769 1296272402 /nfs/dbraw/zinc/27/24/02/1296272402.db2.gz KUNCFUVPJNMHDW-LBPRGKRZSA-N 0 0 339.439 3.397 10 10 EGCERN CN1CCc2[nH]c3ccc(C(=O)N4Cc5cccc(O)c5C4)cc3c2C1 ZINC000871205468 1296272903 /nfs/dbraw/zinc/27/29/03/1296272903.db2.gz TVZRBOHIKAPVIY-UHFFFAOYSA-N 0 0 347.418 3.017 10 10 EGCERN O=C(CCc1ccc2c(c1)OC(F)(F)O2)N1Cc2cccc(O)c2C1 ZINC000871205585 1296273493 /nfs/dbraw/zinc/27/34/93/1296273493.db2.gz HRBRXZYWULMLAC-UHFFFAOYSA-N 0 0 347.317 3.189 10 10 EGCERN Cn1c(-c2ccccc2)cnc1SC[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000871967731 1296635377 /nfs/dbraw/zinc/63/53/77/1296635377.db2.gz FGUUQKFELREVLB-MAUKXSAKSA-N 0 0 332.469 3.091 10 10 EGCERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)N1Cc2cccc(O)c2C1 ZINC000875883568 1298508850 /nfs/dbraw/zinc/50/88/50/1298508850.db2.gz FKJWCLQMSDVVQU-XJKSGUPXSA-N 0 0 330.334 3.252 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)Cc3sc(C)cc3C)C2)cc1 ZINC000892684179 1305506405 /nfs/dbraw/zinc/50/64/05/1305506405.db2.gz AGYNCBDKGJIVRN-HNNXBMFYSA-N 0 0 344.480 3.311 10 10 EGCERN C[C@@H](NC(=O)NC[C@]12C[C@H]1COC21CCC1)c1ccc(N(C)C)cc1 ZINC000894288067 1306321667 /nfs/dbraw/zinc/32/16/67/1306321667.db2.gz ZXANPGPEHIJIMS-SIXWZSSISA-N 0 0 343.471 3.072 10 10 EGCERN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000895251155 1309258480 /nfs/dbraw/zinc/25/84/80/1309258480.db2.gz HQTYFVXOTUIJDV-GASCZTMLSA-N 0 0 344.224 3.152 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1[O-] ZINC000895585124 1309415140 /nfs/dbraw/zinc/41/51/40/1309415140.db2.gz WNBMQXMUGBVNTF-SECBINFHSA-N 0 0 339.804 3.400 10 10 EGCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000895750192 1309503571 /nfs/dbraw/zinc/50/35/71/1309503571.db2.gz XGPOGGXCRVNIRM-ZDUSSCGKSA-N 0 0 327.758 3.017 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2ncco2)CC1 ZINC000898100234 1310589498 /nfs/dbraw/zinc/58/94/98/1310589498.db2.gz AIPBSXJFISEINE-UHFFFAOYSA-N 0 0 344.392 3.320 10 10 EGCERN C[C@H](NC(=O)c1csc(N2CCCCC2)n1)c1ccccc1O ZINC000899181596 1310968297 /nfs/dbraw/zinc/96/82/97/1310968297.db2.gz GQDDFGWYODDAEU-LBPRGKRZSA-N 0 0 331.441 3.330 10 10 EGCERN COCCOc1ncccc1NCc1cc(F)c(N(C)C)cc1F ZINC000858153313 1328697558 /nfs/dbraw/zinc/69/75/58/1328697558.db2.gz KEHGSTBFQYVTIO-UHFFFAOYSA-N 0 0 337.370 3.063 10 10 EGCERN COCCOCc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000929780842 1328699797 /nfs/dbraw/zinc/69/97/97/1328699797.db2.gz HKNQZSQLMWBQNJ-UHFFFAOYSA-N 0 0 342.395 3.103 10 10 EGCERN COc1cccc(F)c1[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858251971 1328722892 /nfs/dbraw/zinc/72/28/92/1328722892.db2.gz UTTBIPAUECSKKF-LBPRGKRZSA-N 0 0 332.375 3.409 10 10 EGCERN CCc1onc(C)c1CN(CCOC)c1ccc(OC)c(OC)c1 ZINC000929996202 1328760242 /nfs/dbraw/zinc/76/02/42/1328760242.db2.gz RGNJFBBWMJVKHP-UHFFFAOYSA-N 0 0 334.416 3.216 10 10 EGCERN CC[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858434760 1328761470 /nfs/dbraw/zinc/76/14/70/1328761470.db2.gz OREIUOAOVRDTQH-VXGBXAGGSA-N 0 0 344.242 3.207 10 10 EGCERN COc1ccc(N(C)Cc2cc(C(F)(F)F)n(C)n2)c(OC)c1 ZINC000930078022 1328779356 /nfs/dbraw/zinc/77/93/56/1328779356.db2.gz XMDOMOVWDFJXQL-UHFFFAOYSA-N 0 0 329.322 3.093 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCC12CC2 ZINC000858590385 1328802861 /nfs/dbraw/zinc/80/28/61/1328802861.db2.gz VYDOWZRZHRTRRV-KRWDZBQOSA-N 0 0 330.497 3.436 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCCC(C)(F)F ZINC000913878468 1319158703 /nfs/dbraw/zinc/15/87/03/1319158703.db2.gz SZCRTARMBWOLHX-UHFFFAOYSA-N 0 0 348.459 3.340 10 10 EGCERN COc1ccc(OC)c([C@H](C)NC(=O)NCc2c(O)cccc2F)c1 ZINC000913930049 1319181578 /nfs/dbraw/zinc/18/15/78/1319181578.db2.gz MFHGPMUXUFHYRX-NSHDSACASA-N 0 0 348.374 3.109 10 10 EGCERN COC[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000914180857 1319258956 /nfs/dbraw/zinc/25/89/56/1319258956.db2.gz YLILERKRMPWTJD-KRWDZBQOSA-N 0 0 333.476 3.005 10 10 EGCERN O=C(Nc1ccccc1O[C@H]1CCOC1)N1Cc2cccc(O)c2C1 ZINC000930375931 1328844517 /nfs/dbraw/zinc/84/45/17/1328844517.db2.gz IWKOAZRMXXBSKG-AWEZNQCLSA-N 0 0 340.379 3.108 10 10 EGCERN Cc1cnc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000930745429 1328955087 /nfs/dbraw/zinc/95/50/87/1328955087.db2.gz XPNPHORPHBHWRK-INIZCTEOSA-N 0 0 339.439 3.026 10 10 EGCERN COC(=O)CCCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000921044887 1322248899 /nfs/dbraw/zinc/24/88/99/1322248899.db2.gz LHPBJDUQULOOSL-UHFFFAOYSA-N 0 0 342.439 3.476 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000921767584 1322395402 /nfs/dbraw/zinc/39/54/02/1322395402.db2.gz QNNRTWQVVSMGQA-KDOFPFPSSA-N 0 0 344.386 3.108 10 10 EGCERN CCO[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000922218328 1322480647 /nfs/dbraw/zinc/48/06/47/1322480647.db2.gz ILLPILDDBYRNSI-KRWDZBQOSA-N 0 0 332.375 3.108 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cnc(Cl)s2)c1 ZINC000923693907 1322791996 /nfs/dbraw/zinc/79/19/96/1322791996.db2.gz TYICHCNPPPFAQC-MRVPVSSYSA-N 0 0 341.820 3.071 10 10 EGCERN Cc1nn(C)c(NC(=O)N[C@H](C)c2ccccc2O)c1C(F)(F)F ZINC000931368713 1329104001 /nfs/dbraw/zinc/10/40/01/1329104001.db2.gz LEAOQBIVAHRPQZ-MRVPVSSYSA-N 0 0 342.321 3.336 10 10 EGCERN CSC1CCC(CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000925171816 1325070992 /nfs/dbraw/zinc/07/09/92/1325070992.db2.gz MCQJNRBIDQFEJP-UHFFFAOYSA-N 0 0 348.468 3.078 10 10 EGCERN CC[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794889 1325304543 /nfs/dbraw/zinc/30/45/43/1325304543.db2.gz VWZFGDOENOYOFJ-CZUORRHYSA-N 0 0 338.879 3.245 10 10 EGCERN C[C@@H](NC(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926296312 1325506930 /nfs/dbraw/zinc/50/69/30/1325506930.db2.gz WJSFOLTZEJHMPQ-GYSYKLTISA-N 0 0 346.349 3.252 10 10 EGCERN Cc1ccccc1CO[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000860693889 1329344969 /nfs/dbraw/zinc/34/49/69/1329344969.db2.gz HAMHCPGLAZULQM-CABCVRRESA-N 0 0 343.423 3.059 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000927127756 1327880528 /nfs/dbraw/zinc/88/05/28/1327880528.db2.gz JTHFFZYXSMIWDI-ZFWWWQNUSA-N 0 0 333.428 3.321 10 10 EGCERN O=C(NCC[C@@H]1OCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000927674080 1328100885 /nfs/dbraw/zinc/10/08/85/1328100885.db2.gz QWGMJOOVPMMGBF-IBGZPJMESA-N 0 0 338.407 3.122 10 10 EGCERN C[C@H]1CCCN(c2ccc(CNC(=O)c3cccnn3)cc2Cl)C1 ZINC000861538010 1329425188 /nfs/dbraw/zinc/42/51/88/1329425188.db2.gz KEOUAXYGMSMMMD-ZDUSSCGKSA-N 0 0 344.846 3.296 10 10 EGCERN CC[C@H]1C[C@@H](CC(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027117 1329455789 /nfs/dbraw/zinc/45/57/89/1329455789.db2.gz JRUBDRFLMLZNFG-BBRMVZONSA-N 0 0 328.412 3.152 10 10 EGCERN CCCn1nc(C)c(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC000862027116 1329455794 /nfs/dbraw/zinc/45/57/94/1329455794.db2.gz JPVOBPAEPBEUDH-UHFFFAOYSA-N 0 0 338.411 3.094 10 10 EGCERN Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc3cccnc3c2O)n1 ZINC000862028705 1329455942 /nfs/dbraw/zinc/45/59/42/1329455942.db2.gz IJHVMVSWGJHXBK-CQSZACIVSA-N 0 0 338.411 3.021 10 10 EGCERN Cc1nc(C)c(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000862272838 1329472871 /nfs/dbraw/zinc/47/28/71/1329472871.db2.gz UHXGOOSWQYNDHW-STQMWFEESA-N 0 0 347.434 3.334 10 10 EGCERN COc1cc(CN2CCO[C@H](CCF)C2)c(O)c(C(C)(C)C)c1 ZINC000862531335 1329492958 /nfs/dbraw/zinc/49/29/58/1329492958.db2.gz YYPNISMSOKEINX-CQSZACIVSA-N 0 0 325.424 3.259 10 10 EGCERN Cc1cc(CNC(=O)c2cn(C3CCC3)nn2)c(C)n1-c1ccccc1 ZINC000863163986 1329531552 /nfs/dbraw/zinc/53/15/52/1329531552.db2.gz VSKHECUBLIYJLW-UHFFFAOYSA-N 0 0 349.438 3.341 10 10 EGCERN Cc1cc(CNC(=O)[C@@H](C)c2cncnc2)c(C)n1-c1ccccc1 ZINC000863164569 1329531687 /nfs/dbraw/zinc/53/16/87/1329531687.db2.gz NYHRFPQJRRQBPW-HNNXBMFYSA-N 0 0 334.423 3.304 10 10 EGCERN COC(=O)/C=C\c1ccc(N2Cc3nc(C)sc3C2)c([N+](=O)[O-])c1 ZINC000863982659 1329592418 /nfs/dbraw/zinc/59/24/18/1329592418.db2.gz XYMPPUKYPPWOPU-XQRVVYSFSA-N 0 0 345.380 3.066 10 10 EGCERN O=Cc1cc(F)c(C(=O)NCc2ccc(N3CCCC3)cc2)cc1F ZINC000864861791 1329646911 /nfs/dbraw/zinc/64/69/11/1329646911.db2.gz GGILOAKNACOLKB-UHFFFAOYSA-N 0 0 344.361 3.308 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000865116487 1329670312 /nfs/dbraw/zinc/67/03/12/1329670312.db2.gz WZUHKELKIJNZQL-JGNHQEBTSA-N 0 0 328.456 3.072 10 10 EGCERN Cc1cc(CNC(=S)N(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000865230336 1329678264 /nfs/dbraw/zinc/67/82/64/1329678264.db2.gz PODBXNXLVXDJBI-UHFFFAOYSA-N 0 0 346.500 3.334 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCC12CC2 ZINC000865314172 1329685859 /nfs/dbraw/zinc/68/58/59/1329685859.db2.gz NWWNGZWCRXNKMI-CQSZACIVSA-N 0 0 334.803 3.143 10 10 EGCERN COc1ccc(O)c(CNCc2nccc(C)c2Br)c1 ZINC000865464095 1329700624 /nfs/dbraw/zinc/70/06/24/1329700624.db2.gz SKEABUHUWYOUKB-UHFFFAOYSA-N 0 0 337.217 3.157 10 10 EGCERN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000866597463 1330131353 /nfs/dbraw/zinc/13/13/53/1330131353.db2.gz TVNBWFUBHZDIPO-ZDUSSCGKSA-N 0 0 329.371 3.399 10 10 EGCERN Cc1ccc(C(C)(C)CNC(=O)N[C@@H](C)c2ccccc2O)nc1 ZINC000868805010 1330347675 /nfs/dbraw/zinc/34/76/75/1330347675.db2.gz GYUUCCVZAYYYHY-AWEZNQCLSA-N 0 0 327.428 3.434 10 10 EGCERN COC(=O)c1cnc(S[C@H](C)C(=O)c2ccc(F)cc2)s1 ZINC001189407986 1367013801 /nfs/dbraw/zinc/01/38/01/1367013801.db2.gz RWLOKSPVLMLHCE-MRVPVSSYSA-N 0 0 325.386 3.432 10 10 EGCERN CCOc1ccc(N(CC(=O)N(C)CC(F)(F)F)CC2CC2)cc1 ZINC001196952943 1368720219 /nfs/dbraw/zinc/72/02/19/1368720219.db2.gz NPDBZLLVWKLYRO-UHFFFAOYSA-N 0 0 344.377 3.322 10 10 EGCERN COc1ccc(C[C@@H](C)N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001116501652 1370924987 /nfs/dbraw/zinc/92/49/87/1370924987.db2.gz FCTOTBKVBHAMSX-DPQIITEBSA-N 0 0 341.407 3.209 10 10 EGCERN CC(C)[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(F)(F)F ZINC001116741644 1370965442 /nfs/dbraw/zinc/96/54/42/1370965442.db2.gz SRCXGZVIEIJWMZ-INIZCTEOSA-N 0 0 347.400 3.254 10 10 EGCERN Nc1ccc(Cc2nc(C(=O)OCC3CCC(O)CC3)cs2)cc1 ZINC001326211638 1388128355 /nfs/dbraw/zinc/12/83/55/1388128355.db2.gz PASCOTZWZRTFKK-UHFFFAOYSA-N 0 0 346.452 3.024 10 10 EGCERN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1(C)CC1 ZINC001123663852 1372548627 /nfs/dbraw/zinc/54/86/27/1372548627.db2.gz ICYQNHDOEDTDNO-HOCLYGCPSA-N 0 0 332.444 3.271 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCOc3c(F)cccc32)cc1 ZINC001124480880 1372705424 /nfs/dbraw/zinc/70/54/24/1372705424.db2.gz ZWGYTJQQGHQDLY-MRXNPFEDSA-N 0 0 328.387 3.074 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1COc2ccccc21 ZINC001124549489 1372711268 /nfs/dbraw/zinc/71/12/68/1372711268.db2.gz KFURLZCRTSFTGP-IBGZPJMESA-N 0 0 336.435 3.421 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ncn3ccc(C)cc23)cc1 ZINC001125235944 1372762763 /nfs/dbraw/zinc/76/27/63/1372762763.db2.gz ZBBMAXJWZUKUJU-UHFFFAOYSA-N 0 0 336.439 3.419 10 10 EGCERN Cc1cc(CNC(=O)c2ccc(N(C)C)nc2)c(C)n1-c1ccccc1 ZINC001132047914 1375116930 /nfs/dbraw/zinc/11/69/30/1375116930.db2.gz BPFWJSDLHBRPPE-UHFFFAOYSA-N 0 0 348.450 3.485 10 10 EGCERN CC[C@](C)(CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001228766669 1375668863 /nfs/dbraw/zinc/66/88/63/1375668863.db2.gz RZDGMTSZTUOZQI-HNAYVOBHSA-N 0 0 335.492 3.106 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCCOc2ccccc2Cl)c1 ZINC001230733113 1376136890 /nfs/dbraw/zinc/13/68/90/1376136890.db2.gz WHXMIIPJZIQDDW-UHFFFAOYSA-N 0 0 334.803 3.232 10 10 EGCERN CCOCCCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001135319518 1377035670 /nfs/dbraw/zinc/03/56/70/1377035670.db2.gz USSOCYHOZOMODF-UHFFFAOYSA-N 0 0 342.439 3.371 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ncccc2N(C)C)cc1F ZINC001136730469 1377418319 /nfs/dbraw/zinc/41/83/19/1377418319.db2.gz QGPMPSSYHJMSHX-UHFFFAOYSA-N 0 0 344.434 3.063 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC3(CCC3)C2)cc1 ZINC001137428922 1377547050 /nfs/dbraw/zinc/54/70/50/1377547050.db2.gz BLUFHCFPBHATLG-UHFFFAOYSA-N 0 0 336.435 3.462 10 10 EGCERN COc1ccc(CNC(=O)c2cccc3[nH]c(C(F)F)nc32)c(O)c1 ZINC001139032141 1377820367 /nfs/dbraw/zinc/82/03/67/1377820367.db2.gz JAQCGKQRTQPTPV-UHFFFAOYSA-N 0 0 347.321 3.145 10 10 EGCERN CCc1ccc([C@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001141527551 1378339575 /nfs/dbraw/zinc/33/95/75/1378339575.db2.gz TTWMKAKVAGXINK-KRWDZBQOSA-N 0 0 325.408 3.219 10 10 EGCERN CO[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccc(F)cc1 ZINC001142731308 1378482756 /nfs/dbraw/zinc/48/27/56/1378482756.db2.gz SVGQDUVZORFUEF-SFHVURJKSA-N 0 0 340.354 3.083 10 10 EGCERN CO[C@@]1(C)C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001147881595 1379096995 /nfs/dbraw/zinc/09/69/95/1379096995.db2.gz MZZYFXGMDJKVOK-PBHICJAKSA-N 0 0 335.425 3.246 10 10 EGCERN COc1cc(C(=O)NCc2ccccc2O)ccc1Br ZINC001150536178 1379563856 /nfs/dbraw/zinc/56/38/56/1379563856.db2.gz KXDAFFLUFLUZFX-UHFFFAOYSA-N 0 0 336.185 3.093 10 10 EGCERN Cc1ncc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001151668789 1379760959 /nfs/dbraw/zinc/76/09/59/1379760959.db2.gz IXPLMKJKEGXQCV-UHFFFAOYSA-N 0 0 334.422 3.050 10 10 EGCERN CC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)c2cccc(Cl)c2O1 ZINC001154126330 1380213188 /nfs/dbraw/zinc/21/31/88/1380213188.db2.gz MWPYLAFZUQTHGR-GFCCVEGCSA-N 0 0 347.798 3.498 10 10 EGCERN COc1ccc(CNC(=O)C2(c3ccnc4ccccc43)CC2)c(O)c1 ZINC001155574396 1380470032 /nfs/dbraw/zinc/47/00/32/1380470032.db2.gz JDWZDQVQFCPQRT-UHFFFAOYSA-N 0 0 348.402 3.297 10 10 EGCERN Cc1ccc([C@@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)c(C)c1 ZINC001156874685 1380710922 /nfs/dbraw/zinc/71/09/22/1380710922.db2.gz RCISDNYDVYAOHH-MRXNPFEDSA-N 0 0 325.408 3.273 10 10 EGCERN C[C@H](Oc1ccc(C=O)cc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041757 1380758448 /nfs/dbraw/zinc/75/84/48/1380758448.db2.gz MNKPVOAGNSWUGN-AWEZNQCLSA-N 0 0 349.386 3.442 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC001157101836 1380776220 /nfs/dbraw/zinc/77/62/20/1380776220.db2.gz FIDVBMATYGXGAF-ZIAGYGMSSA-N 0 0 326.433 3.089 10 10 EGCERN CCCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1OC ZINC001158008538 1381101683 /nfs/dbraw/zinc/10/16/83/1381101683.db2.gz ISNLKLXXGOGPJZ-CRAIPNDOSA-N 0 0 335.444 3.227 10 10 EGCERN CCC(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001159033632 1381529066 /nfs/dbraw/zinc/52/90/66/1381529066.db2.gz LHMZAWNVAHZVID-UHFFFAOYSA-N 0 0 332.787 3.324 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1nnc(-c2ccco2)o1 ZINC001294681613 1382483605 /nfs/dbraw/zinc/48/36/05/1382483605.db2.gz RNLMNKXNSIIDFR-UHFFFAOYSA-N 0 0 327.340 3.088 10 10 EGCERN CCN(C)c1nnc(C2CCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001295109547 1382540734 /nfs/dbraw/zinc/54/07/34/1382540734.db2.gz QZHIDMDKRHMVPF-UHFFFAOYSA-N 0 0 331.439 3.255 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCc2nc(C3CC3)cs2)cc1 ZINC001295351864 1382613897 /nfs/dbraw/zinc/61/38/97/1382613897.db2.gz ARHGBGIVZOVHJQ-UHFFFAOYSA-N 0 0 329.385 3.113 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cccnc1C(F)F ZINC001162612608 1382809602 /nfs/dbraw/zinc/80/96/02/1382809602.db2.gz MUBDBYNZNKKHEQ-UHFFFAOYSA-N 0 0 329.306 3.203 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CSC(F)(F)F ZINC001296247744 1382935573 /nfs/dbraw/zinc/93/55/73/1382935573.db2.gz XCHZEDMLSMEHMN-RKDXNWHRSA-N 0 0 337.363 3.034 10 10 EGCERN Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)c(O)c1O ZINC001164134038 1383159749 /nfs/dbraw/zinc/15/97/49/1383159749.db2.gz CVSFGYJVNYWGDC-UHFFFAOYSA-N 0 0 343.770 3.498 10 10 EGCERN Cc1ccc2n[nH]cc2c1C(=O)NCc1ccc2cccnc2c1O ZINC001299727123 1383624814 /nfs/dbraw/zinc/62/48/14/1383624814.db2.gz XZOKONHSHTYROS-UHFFFAOYSA-N 0 0 332.363 3.055 10 10 EGCERN CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001300397765 1383661960 /nfs/dbraw/zinc/66/19/60/1383661960.db2.gz AZULBXZLWMVLHF-LBPRGKRZSA-N 0 0 347.798 3.332 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncc(Br)cc1F ZINC001307091855 1383938757 /nfs/dbraw/zinc/93/87/57/1383938757.db2.gz HTAVBSMVCGNEES-QMMMGPOBSA-N 0 0 341.180 3.438 10 10 EGCERN C[C@@H]1CSC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001312670448 1384364872 /nfs/dbraw/zinc/36/48/72/1384364872.db2.gz YNHAKDGHPJCFOY-RHSMWYFYSA-N 0 0 333.501 3.180 10 10 EGCERN CC(C)c1cccc(O[C@@H](C)C(=O)NCc2cc(O)ccc2O)c1 ZINC001176748533 1385681044 /nfs/dbraw/zinc/68/10/44/1385681044.db2.gz VSTGTGRXGYJOEB-ZDUSSCGKSA-N 0 0 329.396 3.305 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1cnc(-c2cccnc2)s1 ZINC001180410837 1386788556 /nfs/dbraw/zinc/78/85/56/1386788556.db2.gz RNCKWZKBZGRVCC-UHFFFAOYSA-N 0 0 345.811 3.494 10 10 EGCERN Oc1cc2c(cc1CN1CCn3c(nnc3C3CCCC3)C1)CCC2 ZINC001321879198 1387002342 /nfs/dbraw/zinc/00/23/42/1387002342.db2.gz BGHAIWGLEQVSFT-UHFFFAOYSA-N 0 0 338.455 3.146 10 10 EGCERN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](CSc1nccs1)O2 ZINC001329506223 1389136072 /nfs/dbraw/zinc/13/60/72/1389136072.db2.gz FKULJHJUXKEVAJ-NSHDSACASA-N 0 0 342.486 3.404 10 10 EGCERN CC(=O)N1Cc2ccc(NC(=O)N[C@@H](C)c3ccccc3O)cc2C1 ZINC001330682907 1389495727 /nfs/dbraw/zinc/49/57/27/1389495727.db2.gz HITSEBBBNVMGEF-LBPRGKRZSA-N 0 0 339.395 3.137 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)CC(C3CC3)C3CC3)C2)cc1 ZINC001331228873 1389662476 /nfs/dbraw/zinc/66/24/76/1389662476.db2.gz HPCRQJDVVVQLGS-INIZCTEOSA-N 0 0 328.456 3.216 10 10 EGCERN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(O)c1O ZINC001347234376 1391035206 /nfs/dbraw/zinc/03/52/06/1391035206.db2.gz NGPKUNKXQNTBKB-QGZVFWFLSA-N 0 0 349.814 3.471 10 10 EGCERN CN1CCCc2cc(CNC(=O)Cc3cccc4cnccc43)ccc21 ZINC001348134621 1391177349 /nfs/dbraw/zinc/17/73/49/1391177349.db2.gz PMUTVCLZYZFPCB-UHFFFAOYSA-N 0 0 345.446 3.476 10 10 EGCERN C[C@@H](NC(=O)Cc1cccc2nsnc21)c1ccc(N(C)C)cc1 ZINC001348252660 1391192441 /nfs/dbraw/zinc/19/24/41/1391192441.db2.gz KAYAKBDNYKAUAR-GFCCVEGCSA-N 0 0 340.452 3.177 10 10 EGCERN CN(C)c1ccc(CN(C(=O)c2ncc(Cl)cn2)C2CC2)cc1 ZINC001352743704 1391840704 /nfs/dbraw/zinc/84/07/04/1391840704.db2.gz CHCOAQGDFVGLSX-UHFFFAOYSA-N 0 0 330.819 3.001 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)C1([C@H]2CCCCO2)CCC1 ZINC001353244968 1391972508 /nfs/dbraw/zinc/97/25/08/1391972508.db2.gz FYKLPDYAMKVMOH-GOSISDBHSA-N 0 0 330.472 3.417 10 10 EGCERN O=C(CC1CS(=O)(=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001353790965 1392089938 /nfs/dbraw/zinc/08/99/38/1392089938.db2.gz USGRZFPNJHEKCI-UHFFFAOYSA-N 0 0 343.408 3.475 10 10 EGCERN COCC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001353912333 1392107832 /nfs/dbraw/zinc/10/78/32/1392107832.db2.gz XPEBHKYZSWZYRB-UHFFFAOYSA-N 0 0 330.472 3.452 10 10 EGCERN CON(C)c1nnc(C2CCC2)n1CCCSc1nccs1 ZINC001698267892 1406137734 /nfs/dbraw/zinc/13/77/34/1406137734.db2.gz QONWOYNBAYXREK-UHFFFAOYSA-N 0 0 339.490 3.182 10 10 EGCERN Cc1nnc(N(C)CCC(C)C)n1Cc1ccc2c(c1)CCCN2C ZINC001707864012 1417384640 /nfs/dbraw/zinc/38/46/40/1417384640.db2.gz QCOBTFXEFPEYOY-UHFFFAOYSA-N 0 0 341.503 3.500 10 10 EGCERN CCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001709911455 1417454743 /nfs/dbraw/zinc/45/47/43/1417454743.db2.gz ORKDYWNAWACFIK-UHFFFAOYSA-N 0 0 329.492 3.454 10 10 EGCERN Cc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001724235716 1424747739 /nfs/dbraw/zinc/74/77/39/1424747739.db2.gz NLQKLLFAFLIWTB-GJZGRUSLSA-N 0 0 341.503 3.492 10 10 EGCERN Cc1nnc(N2CC[C@@H]3CCC[C@@H]32)n1Cc1ccc(N(C)C)cc1C ZINC001724237455 1424748915 /nfs/dbraw/zinc/74/89/15/1424748915.db2.gz ZVUDJKCLYIONSH-LPHOPBHVSA-N 0 0 339.487 3.388 10 10 EGCERN CC/C=C/Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001727863185 1427126761 /nfs/dbraw/zinc/12/67/61/1427126761.db2.gz PDIACDCGOMDOCB-RRGWEWPQSA-N 0 0 342.443 3.090 10 10 EGCERN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1[C@@H]1C[C@H]1CF ZINC001729420230 1427166195 /nfs/dbraw/zinc/16/61/95/1427166195.db2.gz KEJXEMUSYCTWSO-SQWLQELKSA-N 0 0 346.406 3.002 10 10 EGCERN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CC=CCC1 ZINC001742138887 1439508989 /nfs/dbraw/zinc/50/89/89/1439508989.db2.gz HIVHPDCUBUVSDJ-UHFFFAOYSA-N 0 0 337.471 3.345 10 10 EGCERN C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000053117555 214165348 /nfs/dbraw/zinc/16/53/48/214165348.db2.gz RJSRXXDVRLGEKH-IAQYHMDHSA-N 0 0 328.250 3.186 10 10 EGCERN Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccoc1 ZINC000069350044 215384593 /nfs/dbraw/zinc/38/45/93/215384593.db2.gz BNSJWYDDUVXHKZ-UHFFFAOYSA-N 0 0 327.409 3.089 10 10 EGCERN Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=O)OC(C)(C)OC1=O ZINC000000043110 209386597 /nfs/dbraw/zinc/38/65/97/209386597.db2.gz SHKOMTRLORIFGE-UHFFFAOYSA-N 0 0 346.770 3.054 10 10 EGCERN Cc1cc(C(=O)NCCc2nc(C)oc2C)c(C)n1-c1ccccn1 ZINC000095444691 218388724 /nfs/dbraw/zinc/38/87/24/218388724.db2.gz JTZMQKYJKFIGTA-UHFFFAOYSA-N 0 0 338.411 3.066 10 10 EGCERN O=C1Nc2ccccc2/C1=C1\SC(=S)N(c2ccccc2)C1=O ZINC000033937597 284929003 /nfs/dbraw/zinc/92/90/03/284929003.db2.gz MZMPDJLGEATSMX-BUHFOSPRSA-N 0 0 338.413 3.415 10 10 EGCERN COC(=O)[C@@]1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1 ZINC000002561261 277377040 /nfs/dbraw/zinc/37/70/40/277377040.db2.gz YFDKIHAZVQFLRC-FQEVSTJZSA-N 0 0 338.359 3.401 10 10 endogenous,in-man EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647911 454599594 /nfs/dbraw/zinc/59/95/94/454599594.db2.gz TXQVKWGBWLZPQL-UHFFFAOYSA-N 0 0 327.215 3.128 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1c1nccs1 ZINC000180824244 455251615 /nfs/dbraw/zinc/25/16/15/455251615.db2.gz TZIMPEXLZWAYLE-VUDGCMKMSA-N 0 0 330.409 3.321 10 10 EGCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC2(CCCC2)C1 ZINC000173762425 455332864 /nfs/dbraw/zinc/33/28/64/455332864.db2.gz FHAAAKSLKLNEMP-VMPITWQZSA-N 0 0 340.467 3.329 10 10 EGCERN CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000130972868 454229557 /nfs/dbraw/zinc/22/95/57/454229557.db2.gz FTSRPTADTMFOEN-YOEHRIQHSA-N 0 0 327.476 3.482 10 10 EGCERN COc1cc(O)c(CN2CCO[C@H](c3ccsc3)C2)cc1OC ZINC000160395869 455453879 /nfs/dbraw/zinc/45/38/79/455453879.db2.gz BCRMNOSPFMRBFB-KRWDZBQOSA-N 0 0 335.425 3.044 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000246247694 455457211 /nfs/dbraw/zinc/45/72/11/455457211.db2.gz HHMRPECAYPOQFD-NJDAHSKKSA-N 0 0 349.478 3.480 10 10 EGCERN COCc1cc(Sc2ncc(C(C)(C)C)s2)n2ncnc2n1 ZINC000163321664 454839126 /nfs/dbraw/zinc/83/91/26/454839126.db2.gz CPUVLKPBHNXECX-UHFFFAOYSA-N 0 0 335.458 3.176 10 10 EGCERN COc1ccc(N2CCCN(C(=O)N[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000112462600 454888236 /nfs/dbraw/zinc/88/82/36/454888236.db2.gz KRJBNYPWQNPLID-HNNXBMFYSA-N 0 0 333.476 3.352 10 10 EGCERN O=C(NCCCc1ccccn1)NCc1ccc(N2CCCC2)cc1 ZINC000179175003 455016890 /nfs/dbraw/zinc/01/68/90/455016890.db2.gz CDIULIULPFCKOD-UHFFFAOYSA-N 0 0 338.455 3.114 10 10 EGCERN Cc1cccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1O ZINC000179985956 455111170 /nfs/dbraw/zinc/11/11/70/455111170.db2.gz DXTLJUFGSJJOGT-INIZCTEOSA-N 0 0 326.444 3.356 10 10 EGCERN COc1ccc(O)c(CN2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000180414574 455165766 /nfs/dbraw/zinc/16/57/66/455165766.db2.gz SJQWKSIEERKAKN-IBGZPJMESA-N 0 0 331.387 3.422 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000183451197 455294925 /nfs/dbraw/zinc/29/49/25/455294925.db2.gz CZCNVZUHFOYETH-WXHSDQCUSA-N 0 0 347.361 3.227 10 10 EGCERN COc1ccc(O)c([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000185324428 455540084 /nfs/dbraw/zinc/54/00/84/455540084.db2.gz WYNRMQVZSBUJLS-KPZWWZAWSA-N 0 0 338.411 3.268 10 10 EGCERN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C2CC2)cc1 ZINC000268160521 455606610 /nfs/dbraw/zinc/60/66/10/455606610.db2.gz PLIZITGFSKQURD-QGZVFWFLSA-N 0 0 338.455 3.087 10 10 EGCERN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000186111167 455695491 /nfs/dbraw/zinc/69/54/91/455695491.db2.gz DRIRNRLVBGTWFV-ZJUUUORDSA-N 0 0 346.258 3.153 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@@H](C)OC)ccc21 ZINC000292727033 455741348 /nfs/dbraw/zinc/74/13/48/455741348.db2.gz ZGIUMONPXIZHQK-UKRRQHHQSA-N 0 0 332.444 3.058 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000293841917 455797790 /nfs/dbraw/zinc/79/77/90/455797790.db2.gz HEJBEYWHIJYUNH-LLVKDONJSA-N 0 0 330.190 3.482 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@@H](C)c1ccc(C)cc1O ZINC000186599656 455803365 /nfs/dbraw/zinc/80/33/65/455803365.db2.gz IEFFNHWUDMIDKS-AWEZNQCLSA-N 0 0 340.423 3.409 10 10 EGCERN O=C1CCCCN1C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295264144 455843771 /nfs/dbraw/zinc/84/37/71/455843771.db2.gz HCBLVQXYQNHESF-UHFFFAOYSA-N 0 0 340.826 3.162 10 10 EGCERN CCc1noc(C)c1CNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000296435011 455938107 /nfs/dbraw/zinc/93/81/07/455938107.db2.gz UDXKVGTUBNYZID-UHFFFAOYSA-N 0 0 344.459 3.391 10 10 EGCERN COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1O ZINC000280509480 455987018 /nfs/dbraw/zinc/98/70/18/455987018.db2.gz DPBPTAFGCPTANN-UHFFFAOYSA-N 0 0 333.409 3.080 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3c(C)ccnc3C)CC2)cc1 ZINC000287449332 456069557 /nfs/dbraw/zinc/06/95/57/456069557.db2.gz HWIBNGRILOAADK-UHFFFAOYSA-N 0 0 340.427 3.061 10 10 EGCERN CCN(CC)c1ccc(CNc2ncccc2C(=O)NC)cc1F ZINC000301392283 456106227 /nfs/dbraw/zinc/10/62/27/456106227.db2.gz HWWAJGUGCCIBHU-UHFFFAOYSA-N 0 0 330.407 3.039 10 10 EGCERN CNC(=O)c1cccnc1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000301395805 456107454 /nfs/dbraw/zinc/10/74/54/456107454.db2.gz LZZGMBPHEHJHJQ-UHFFFAOYSA-N 0 0 338.455 3.290 10 10 EGCERN CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000289585045 456130887 /nfs/dbraw/zinc/13/08/87/456130887.db2.gz AQZYSTAJZBQGJN-KBPBESRZSA-N 0 0 332.448 3.474 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)NCc1c(C)onc1CC ZINC000297273550 456168975 /nfs/dbraw/zinc/16/89/75/456168975.db2.gz IUSBBEVUHFMNEL-UHFFFAOYSA-N 0 0 331.416 3.373 10 10 EGCERN CCN1C(=O)CCc2cc(NC(=O)NCc3ccccc3O)ccc21 ZINC000273617437 456241047 /nfs/dbraw/zinc/24/10/47/456241047.db2.gz LABSKTVISJSUNW-UHFFFAOYSA-N 0 0 339.395 3.013 10 10 EGCERN COc1nc(C)nc(NCc2ccc(N3CCSCC3)cc2)c1C ZINC000301882680 456241979 /nfs/dbraw/zinc/24/19/79/456241979.db2.gz IUPVUFFJVJYMCU-UHFFFAOYSA-N 0 0 344.484 3.267 10 10 EGCERN C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccnnc3)cc2Cl)C1 ZINC000282323950 456476412 /nfs/dbraw/zinc/47/64/12/456476412.db2.gz UYTOGYWSYJWQPA-CYBMUJFWSA-N 0 0 344.846 3.296 10 10 EGCERN CCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@H]1CCOC1 ZINC000361186551 457636593 /nfs/dbraw/zinc/63/65/93/457636593.db2.gz GNCFXTKZOAFNAX-KRWDZBQOSA-N 0 0 344.455 3.156 10 10 EGCERN C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000366671903 457882562 /nfs/dbraw/zinc/88/25/62/457882562.db2.gz KBFFCSZUBNRKFA-FMKPAKJESA-N 0 0 334.435 3.363 10 10 EGCERN COc1cccc(CNC(=O)N[C@H]2C[C@H](c3ccccc3C)C2)c1O ZINC000366987226 457917868 /nfs/dbraw/zinc/91/78/68/457917868.db2.gz DOKCZECVVNSWGY-WKILWMFISA-N 0 0 340.423 3.455 10 10 EGCERN Oc1cc2c(cc1CN1CCCC[C@H]1c1noc(C3CC3)n1)OCO2 ZINC000362367811 458128842 /nfs/dbraw/zinc/12/88/42/458128842.db2.gz AWQNCQBHKWQQRN-ZDUSSCGKSA-N 0 0 343.383 3.109 10 10 EGCERN CC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435666924 458181472 /nfs/dbraw/zinc/18/14/72/458181472.db2.gz DMVXLHWODPDBCR-HNNXBMFYSA-N 0 0 327.472 3.323 10 10 EGCERN C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215196 458719735 /nfs/dbraw/zinc/71/97/35/458719735.db2.gz FAXLNEYKWWSCPG-YGRLFVJLSA-N 0 0 325.250 3.090 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H]3CCCO3)ccc21 ZINC000590699811 459187186 /nfs/dbraw/zinc/18/71/86/459187186.db2.gz GNRRSUYMDPRRRZ-QGZVFWFLSA-N 0 0 344.455 3.203 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000527803227 459741753 /nfs/dbraw/zinc/74/17/53/459741753.db2.gz DLQYLIZVKCDSLK-MIJXAVMKSA-N 0 0 328.250 3.365 10 10 EGCERN COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000527939328 459777182 /nfs/dbraw/zinc/77/71/82/459777182.db2.gz NVQYJTBKXIUFHA-IINYFYTJSA-N 0 0 329.322 3.052 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528822596 459814623 /nfs/dbraw/zinc/81/46/23/459814623.db2.gz CVMMEFXZTDAMQO-IUODEOHRSA-N 0 0 326.234 3.304 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528996787 459820359 /nfs/dbraw/zinc/82/03/59/459820359.db2.gz PWNCGTIBWBTOOF-JLZZUVOBSA-N 0 0 343.398 3.478 10 10 EGCERN Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(O)c1O ZINC000529673352 459833693 /nfs/dbraw/zinc/83/36/93/459833693.db2.gz CUGJVTUZLUHRIT-QLFBSQMISA-N 0 0 329.783 3.128 10 10 EGCERN CC(C)(C)[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc21 ZINC000614055742 460000649 /nfs/dbraw/zinc/00/06/49/460000649.db2.gz ONTVKFNCNAJBNF-OAHLLOKOSA-N 0 0 335.407 3.366 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N2CCC23CCOCC3)cc1F ZINC000365583167 547777447 /nfs/dbraw/zinc/77/74/47/547777447.db2.gz CNDXZMOGGSASOO-UHFFFAOYSA-N 0 0 349.450 3.136 10 10 EGCERN Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000366884548 547784516 /nfs/dbraw/zinc/78/45/16/547784516.db2.gz MVQZJWHCTGBBFI-UHFFFAOYSA-N 0 0 339.391 3.141 10 10 EGCERN COc1ccc(N2CCC(NC(=O)c3cc(C)[nH]c3C)CC2)cc1 ZINC000726563363 574562463 /nfs/dbraw/zinc/56/24/63/574562463.db2.gz HSMQFPXSFVFINS-UHFFFAOYSA-N 0 0 327.428 3.039 10 10 EGCERN Cc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)c(O)c1O ZINC000727004346 574630653 /nfs/dbraw/zinc/63/06/53/574630653.db2.gz TXQKZKXJOMQLOT-NSHDSACASA-N 0 0 340.335 3.374 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ncc2ccccc21 ZINC000730535959 574998794 /nfs/dbraw/zinc/99/87/94/574998794.db2.gz KGUCJVNTRMBXLK-UHFFFAOYSA-N 0 0 336.439 3.151 10 10 EGCERN COC(=O)/C=C/c1ccc(N(CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000734481745 575492584 /nfs/dbraw/zinc/49/25/84/575492584.db2.gz DSPSQDGWPPQDAI-VQHVLOKHSA-N 0 0 330.384 3.407 10 10 EGCERN C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)n1cccc1 ZINC000735519383 575677998 /nfs/dbraw/zinc/67/79/98/575677998.db2.gz QUGYJASXAKTEJI-FUHWJXTLSA-N 0 0 342.439 3.353 10 10 EGCERN Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccc(F)cc1 ZINC000744630422 576832144 /nfs/dbraw/zinc/83/21/44/576832144.db2.gz OMMGCDVAZHCPJU-CALCHBBNSA-N 0 0 328.387 3.237 10 10 EGCERN C[C@H]1[C@H]([NH3+])CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708125644 1298234481 /nfs/dbraw/zinc/23/44/81/1298234481.db2.gz WRBZRWNNMNWIOV-QPUJVOFHSA-N 0 0 333.657 3.120 10 10 EGCERN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc2c(c1)OCO2 ZINC000003298606 1291020900 /nfs/dbraw/zinc/02/09/00/1291020900.db2.gz DSPUUXVNYHJXTN-OQLLNIDSSA-N 0 0 330.409 3.308 10 10 EGCERN Cc1csc([C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000069326795 1292240206 /nfs/dbraw/zinc/24/02/06/1292240206.db2.gz XLRCWZHBIGGBGC-ZDUSSCGKSA-N 0 0 344.484 3.394 10 10 EGCERN Cc1csc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000126583491 1293537866 /nfs/dbraw/zinc/53/78/66/1293537866.db2.gz ALMVVSMUALQVTK-CQSZACIVSA-N 0 0 342.468 3.388 10 10 EGCERN O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccc(O)c(O)c1 ZINC000158999456 1294222313 /nfs/dbraw/zinc/22/23/13/1294222313.db2.gz PVQIFYAVDZVVOZ-UHFFFAOYSA-N 0 0 342.178 3.100 10 10 EGCERN COc1ccc(/C=C(\C)C(=O)NCc2cccc(OC)c2O)cc1F ZINC000183325513 1295113075 /nfs/dbraw/zinc/11/30/75/1295113075.db2.gz POECJLCTYAMHKT-FMIVXFBMSA-N 0 0 345.370 3.268 10 10 EGCERN COc1ccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)cc1OC ZINC000185185854 1295246738 /nfs/dbraw/zinc/24/67/38/1295246738.db2.gz FUUCPGMUVGDKBC-XBXARRHUSA-N 0 0 340.335 3.335 10 10 EGCERN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202931 1296271863 /nfs/dbraw/zinc/27/18/63/1296271863.db2.gz PKCOFTMXPCBDQO-CQSZACIVSA-N 0 0 346.427 3.024 10 10 EGCERN Cc1cc(C(=O)NOCCCC(F)(F)F)c(C)n1-c1ccccn1 ZINC000871212299 1296277633 /nfs/dbraw/zinc/27/76/33/1296277633.db2.gz OJADFZIPCDSDGH-UHFFFAOYSA-N 0 0 341.333 3.493 10 10 EGCERN COC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000243994855 1296295873 /nfs/dbraw/zinc/29/58/73/1296295873.db2.gz SEXDGFQTJNFHLG-UHFFFAOYSA-N 0 0 326.396 3.154 10 10 EGCERN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1[O-] ZINC000872119677 1296745372 /nfs/dbraw/zinc/74/53/72/1296745372.db2.gz UNGRLCGTHORCTC-WDFAYWTNSA-N 0 0 343.876 3.052 10 10 EGCERN COc1cccc(O)c1CNc1cccc([C@@H]2CCCC(=O)N2)c1 ZINC000886374818 1303452057 /nfs/dbraw/zinc/45/20/57/1303452057.db2.gz NNMWAILEMIEQJN-INIZCTEOSA-N 0 0 326.396 3.354 10 10 EGCERN O=C(NCc1noc2c1CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897777793 1310465340 /nfs/dbraw/zinc/46/53/40/1310465340.db2.gz SHRHUSRUUJENIY-UHFFFAOYSA-N 0 0 344.392 3.109 10 10 EGCERN COc1ccc(CCCC(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000899174563 1310967398 /nfs/dbraw/zinc/96/73/98/1310967398.db2.gz WGVPDIRHXSHEKH-UHFFFAOYSA-N 0 0 341.407 3.275 10 10 EGCERN O=C(Nc1cccc(N2CCCC2=O)c1)N1Cc2cccc(O)c2C1 ZINC000929435240 1328597202 /nfs/dbraw/zinc/59/72/02/1328597202.db2.gz LKNWXXQXYCBBSW-UHFFFAOYSA-N 0 0 337.379 3.067 10 10 EGCERN O=C(Nc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1)C1CC1 ZINC000929479450 1328610475 /nfs/dbraw/zinc/61/04/75/1328610475.db2.gz FTUXNDSRIKWKNA-UHFFFAOYSA-N 0 0 337.379 3.288 10 10 EGCERN Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000858189569 1328707453 /nfs/dbraw/zinc/70/74/53/1328707453.db2.gz OVQYAXYQSRAJDB-GDBMZVCRSA-N 0 0 334.213 3.423 10 10 EGCERN C[C@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858447543 1328764750 /nfs/dbraw/zinc/76/47/50/1328764750.db2.gz VVMFWQPVFDRLBW-SGTLLEGYSA-N 0 0 344.367 3.181 10 10 EGCERN Cc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000858460067 1328767467 /nfs/dbraw/zinc/76/74/67/1328767467.db2.gz RTTVFYVJPRIJOP-QWHCGFSZSA-N 0 0 328.368 3.263 10 10 EGCERN C[C@H](NC(=O)c1ccc2c(c1)N[C@H](C)CC(=O)N2)c1ccccc1O ZINC000913763542 1319118554 /nfs/dbraw/zinc/11/85/54/1319118554.db2.gz KBPBMDTWSXIPCX-NEPJUHHUSA-N 0 0 339.395 3.026 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)[C@]12CCO[C@@H]1CCCC2 ZINC000930206215 1328811111 /nfs/dbraw/zinc/81/11/11/1328811111.db2.gz SNDHQRVAJQHQMB-UYAOXDASSA-N 0 0 328.456 3.252 10 10 EGCERN CC[C@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1OC ZINC000914095115 1319233351 /nfs/dbraw/zinc/23/33/51/1319233351.db2.gz PVHUMZVIRHMVOD-HNNXBMFYSA-N 0 0 332.375 3.490 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCC[C@H]2CCC3(CCC3)O2)cc1F ZINC000915365683 1319475993 /nfs/dbraw/zinc/47/59/93/1319475993.db2.gz GYEVEBGCZYPIDM-OAHLLOKOSA-N 0 0 349.450 3.183 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(OC)c(C)c2)c1 ZINC000918745260 1321989802 /nfs/dbraw/zinc/98/98/02/1321989802.db2.gz IEOBPLUQMBBELM-ZDUSSCGKSA-N 0 0 344.411 3.278 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922806161 1322622862 /nfs/dbraw/zinc/62/28/62/1322622862.db2.gz FGNGOSYPXDIRBY-NSHDSACASA-N 0 0 329.799 3.003 10 10 EGCERN CC1(C)CCc2onc(CNC(=O)NCc3c(O)cccc3F)c2C1 ZINC000923981348 1322864151 /nfs/dbraw/zinc/86/41/51/1322864151.db2.gz NMZZBBPDOUHBAM-UHFFFAOYSA-N 0 0 347.390 3.034 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000931255386 1329079757 /nfs/dbraw/zinc/07/97/57/1329079757.db2.gz FPAZYAOWBQZYNG-LUAWRHEFSA-N 0 0 326.352 3.417 10 10 EGCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000925114290 1325050757 /nfs/dbraw/zinc/05/07/57/1325050757.db2.gz MYDRJNLSXMISLK-HKCMKHECSA-N 0 0 348.830 3.102 10 10 EGCERN CC[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000925692760 1325263646 /nfs/dbraw/zinc/26/36/46/1325263646.db2.gz BAPPFUYYJHGRBG-STQMWFEESA-N 0 0 336.432 3.120 10 10 EGCERN C[C@H](NC(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926296318 1325506753 /nfs/dbraw/zinc/50/67/53/1325506753.db2.gz WJSFOLTZEJHMPQ-WDMOLILDSA-N 0 0 346.349 3.252 10 10 EGCERN C[C@@H](NC(=O)c1c(Cl)nn(C)c1Cl)c1ccc(N(C)C)cc1 ZINC000860951009 1329372423 /nfs/dbraw/zinc/37/24/23/1329372423.db2.gz WSPQJDCFYGVXBI-SECBINFHSA-N 0 0 341.242 3.284 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000926948705 1327791142 /nfs/dbraw/zinc/79/11/42/1327791142.db2.gz OKZSBKNIGWUKIY-OFYUCFFLSA-N 0 0 332.227 3.154 10 10 EGCERN C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927145215 1327889878 /nfs/dbraw/zinc/88/98/78/1327889878.db2.gz KBXKXTGBPXWWIC-RKDXNWHRSA-N 0 0 341.242 3.036 10 10 EGCERN O=C(NCc1c(O)cccc1F)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000928710952 1328406346 /nfs/dbraw/zinc/40/63/46/1328406346.db2.gz YLAAGZIPUQKKEA-JCURWCKSSA-N 0 0 331.774 3.387 10 10 EGCERN Cc1c(C(=O)NCc2ccc3cccnc3c2O)cnn1CC(C)C ZINC000862027121 1329455657 /nfs/dbraw/zinc/45/56/57/1329455657.db2.gz JRWZZNMJIPUSBM-UHFFFAOYSA-N 0 0 338.411 3.031 10 10 EGCERN CCC[C@@H]1C[C@@H](C(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027174 1329456110 /nfs/dbraw/zinc/45/61/10/1329456110.db2.gz LEDKFTLNPSRDRQ-GOEBONIOSA-N 0 0 328.412 3.152 10 10 EGCERN Cc1nc(C)c(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000862272833 1329473156 /nfs/dbraw/zinc/47/31/56/1329473156.db2.gz UHXGOOSWQYNDHW-BETUJISGSA-N 0 0 347.434 3.334 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)NCC1(C(F)(F)F)CCCC1 ZINC000863508514 1329559696 /nfs/dbraw/zinc/55/96/96/1329559696.db2.gz XWXJGZCEIBBWEP-GQCTYLIASA-N 0 0 329.318 3.350 10 10 EGCERN CC1(c2nsc(NCc3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000865293679 1329683942 /nfs/dbraw/zinc/68/39/42/1329683942.db2.gz RQXKFZMLKNUJHN-UHFFFAOYSA-N 0 0 330.457 3.038 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000865871076 1329747321 /nfs/dbraw/zinc/74/73/21/1329747321.db2.gz CZGVRXAPHJBTBI-CYBMUJFWSA-N 0 0 336.233 3.284 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1scnc1C(F)F ZINC000866203393 1330078226 /nfs/dbraw/zinc/07/82/26/1330078226.db2.gz LUZATGXQJKQJJF-UHFFFAOYSA-N 0 0 339.367 3.186 10 10 EGCERN CC1(C)[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC000866757583 1330147390 /nfs/dbraw/zinc/14/73/90/1330147390.db2.gz ZEWSLYKBSAXERA-MSOLQXFVSA-N 0 0 325.408 3.196 10 10 EGCERN CCC(F)(F)C(C)(C)CS(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690151 1330215229 /nfs/dbraw/zinc/21/52/29/1330215229.db2.gz ABLJXPTZPAQMFE-UHFFFAOYSA-N 0 0 333.400 3.109 10 10 EGCERN O=C(NCC[C@@H]1CCSC1)NCc1ccc(N2CCCC2)cc1 ZINC000868111560 1330250880 /nfs/dbraw/zinc/25/08/80/1330250880.db2.gz DQRZOESCIKGFED-MRXNPFEDSA-N 0 0 333.501 3.229 10 10 EGCERN C[C@H](COc1cccc(F)c1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868124329 1330252174 /nfs/dbraw/zinc/25/21/74/1330252174.db2.gz BYLNFXCSWRGOLG-OLZOCXBDSA-N 0 0 332.375 3.359 10 10 EGCERN C[C@H](NC(=O)NCc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC000868298802 1330268581 /nfs/dbraw/zinc/26/85/81/1330268581.db2.gz WLYXWEAPLJEZRE-QMMMGPOBSA-N 0 0 345.346 3.428 10 10 EGCERN C[C@H](NC(=O)NCc1ccnc(C(F)(F)F)c1)c1ccccc1O ZINC000868663819 1330310083 /nfs/dbraw/zinc/31/00/83/1330310083.db2.gz BBCCSVDXEXESON-JTQLQIEISA-N 0 0 339.317 3.366 10 10 EGCERN C[C@H](NC(=O)NCC1(C(=O)OC(C)(C)C)CCC1)c1ccccc1O ZINC000868790406 1330345291 /nfs/dbraw/zinc/34/52/91/1330345291.db2.gz WTDXCEWDXLNUFX-ZDUSSCGKSA-N 0 0 348.443 3.264 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC000868889152 1330367395 /nfs/dbraw/zinc/36/73/95/1330367395.db2.gz GXVUQIMQZJJOOX-ZTNFWEORSA-N 0 0 330.472 3.067 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCn2ccnc21 ZINC001324569638 1387678126 /nfs/dbraw/zinc/67/81/26/1387678126.db2.gz OSUWRUJUIQVFBZ-QGZVFWFLSA-N 0 0 334.423 3.474 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN1CCc2ccccc21 ZINC001124549485 1372711505 /nfs/dbraw/zinc/71/15/05/1372711505.db2.gz KDPJBMBPQMYQQE-UHFFFAOYSA-N 0 0 349.478 3.308 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)c1ccnc(-n2cccc2)c1 ZINC001128604767 1373297068 /nfs/dbraw/zinc/29/70/68/1373297068.db2.gz ZTDGZZSNVQBNQR-UHFFFAOYSA-N 0 0 339.742 3.314 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)c(F)cc2F)cc1 ZINC001130744524 1373587443 /nfs/dbraw/zinc/58/74/43/1373587443.db2.gz CJLNWILZJFOJLB-UHFFFAOYSA-N 0 0 348.393 3.490 10 10 EGCERN Cc1cc(CNC(=O)/C=C/c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC001132044677 1375114631 /nfs/dbraw/zinc/11/46/31/1375114631.db2.gz VKXPIZURSQWTQG-CMDGGOBGSA-N 0 0 348.450 3.466 10 10 EGCERN CCC(CC)CCCN(C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001327273562 1388476872 /nfs/dbraw/zinc/47/68/72/1388476872.db2.gz WCWIURXVRLFUEF-UHFFFAOYSA-N 0 0 334.460 3.025 10 10 EGCERN CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1ccc(N(C)C)cc1 ZINC001135642813 1377172824 /nfs/dbraw/zinc/17/28/24/1377172824.db2.gz MXWTYUYPVGZLIV-OAHLLOKOSA-N 0 0 346.862 3.308 10 10 EGCERN C[C@@H]1c2cccn2CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136162035 1377359732 /nfs/dbraw/zinc/35/97/32/1377359732.db2.gz CVVNXSTUXYDZMW-SNVBAGLBSA-N 0 0 328.393 3.331 10 10 EGCERN Cc1c(F)ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1N ZINC001136190883 1377362544 /nfs/dbraw/zinc/36/25/44/1377362544.db2.gz ROUUHTZYSSUDKE-UHFFFAOYSA-N 0 0 327.403 3.247 10 10 EGCERN C=CC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC001136190202 1377362791 /nfs/dbraw/zinc/36/27/91/1377362791.db2.gz WCJGKJRRKNDLOY-UHFFFAOYSA-N 0 0 349.434 3.341 10 10 EGCERN C[C@@H]1Cc2cc(C(=O)NCc3ccc4c(c3)CCCN4C)ccc2O1 ZINC001136436734 1377393012 /nfs/dbraw/zinc/39/30/12/1377393012.db2.gz HVJJYADLYPBTHB-CQSZACIVSA-N 0 0 336.435 3.322 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2sc3ncccc3c2N)cc1F ZINC001136454226 1377395027 /nfs/dbraw/zinc/39/50/27/1377395027.db2.gz PSJDJJMQKBTCAK-UHFFFAOYSA-N 0 0 344.415 3.014 10 10 EGCERN O=Cc1c[nH]c2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc12 ZINC001137443691 1377548503 /nfs/dbraw/zinc/54/85/03/1377548503.db2.gz ZDSXHXDGUAFEHJ-UHFFFAOYSA-N 0 0 348.402 3.495 10 10 EGCERN CCOC(=O)C[C@H](C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001137995413 1377661934 /nfs/dbraw/zinc/66/19/34/1377661934.db2.gz DZWFLODZZLTANN-LBPRGKRZSA-N 0 0 348.468 3.475 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](CO)c1ccccn1 ZINC001141420295 1378322618 /nfs/dbraw/zinc/32/26/18/1378322618.db2.gz VUZDNPVQMFRGOQ-LJQANCHMSA-N 0 0 349.434 3.261 10 10 EGCERN Cc1cc(C(=O)N[C@H](CO)c2ccccn2)c(C)n1-c1ccccc1C ZINC001141419678 1378322956 /nfs/dbraw/zinc/32/29/56/1378322956.db2.gz FMBUTDOLLPCOKJ-LJQANCHMSA-N 0 0 349.434 3.261 10 10 EGCERN Cc1ccc(C2(CNC(=O)Cc3ccc(O)c(O)c3)CC2)c(C)c1 ZINC001141488087 1378333485 /nfs/dbraw/zinc/33/34/85/1378333485.db2.gz QXSXHIPCGANSOD-UHFFFAOYSA-N 0 0 325.408 3.105 10 10 EGCERN C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001141737623 1378368566 /nfs/dbraw/zinc/36/85/66/1378368566.db2.gz BHWLGQNEBYUKPA-ZWNOBZJWSA-N 0 0 345.270 3.436 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cc(F)cc(F)c2N)cc1 ZINC001141868680 1378388055 /nfs/dbraw/zinc/38/80/55/1378388055.db2.gz GFLUQZYHOPJIIT-UHFFFAOYSA-N 0 0 333.382 3.323 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2scnc2c1 ZINC001142730637 1378482691 /nfs/dbraw/zinc/48/26/91/1378482691.db2.gz CABBDWFYDRHPRF-UHFFFAOYSA-N 0 0 335.388 3.480 10 10 EGCERN Cc1cc(CC(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC001143976291 1378665618 /nfs/dbraw/zinc/66/56/18/1378665618.db2.gz VOYUZAUAURELLU-AQNXPRMDSA-N 0 0 338.451 3.320 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1F ZINC001144979084 1378786440 /nfs/dbraw/zinc/78/64/40/1378786440.db2.gz YUSLEGBVHMRWIW-COJSNBRMSA-N 0 0 336.451 3.348 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1ncc(C(F)(F)F)s1 ZINC001146196645 1378793679 /nfs/dbraw/zinc/79/36/79/1378793679.db2.gz NMXMHQBUSLOHDN-UHFFFAOYSA-N 0 0 343.374 3.466 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1cnc(-c2ccccc2)nc1 ZINC001146231649 1378800295 /nfs/dbraw/zinc/80/02/95/1378800295.db2.gz GRXFECCALACXOA-UHFFFAOYSA-N 0 0 339.782 3.433 10 10 EGCERN Cc1cnc(CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)o1 ZINC001147902508 1379099203 /nfs/dbraw/zinc/09/92/03/1379099203.db2.gz JVTNCKNWIPKMRN-UHFFFAOYSA-N 0 0 337.379 3.133 10 10 EGCERN C[C@@H]1Cc2cnccc2N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001150692951 1379596505 /nfs/dbraw/zinc/59/65/05/1379596505.db2.gz GVDIIZOGKOTSMV-SECBINFHSA-N 0 0 326.377 3.299 10 10 EGCERN Cc1cccc(-c2ccc(C(=O)NCc3cc(O)ccc3O)n2C)c1 ZINC001153885050 1380149577 /nfs/dbraw/zinc/14/95/77/1380149577.db2.gz JVWLOJLBOILABO-UHFFFAOYSA-N 0 0 336.391 3.342 10 10 EGCERN C[C@H](NC(=O)C(F)(F)C1(O)CCCCC1)c1ccc(N(C)C)cc1 ZINC001154669127 1380327822 /nfs/dbraw/zinc/32/78/22/1380327822.db2.gz RPHNMPUZBUAEMU-ZDUSSCGKSA-N 0 0 340.414 3.260 10 10 EGCERN C[S@@](=O)(=NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001156278605 1380552034 /nfs/dbraw/zinc/55/20/34/1380552034.db2.gz YDIMUKJZPNLTSJ-QHCPKHFHSA-N 0 0 330.369 3.146 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cc(-c2ccc(Cl)cc2)on1 ZINC001156880848 1380715850 /nfs/dbraw/zinc/71/58/50/1380715850.db2.gz DHDNPEAOAXSJQV-UHFFFAOYSA-N 0 0 344.754 3.336 10 10 EGCERN COC(=O)C(C)(C)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC001157295260 1380834901 /nfs/dbraw/zinc/83/49/01/1380834901.db2.gz LCZOYPNBIYBHCV-UHFFFAOYSA-N 0 0 348.468 3.475 10 10 EGCERN Cc1cc(CNC(=O)c2snnc2C)c(C)n1-c1ccccc1 ZINC001287660478 1381318863 /nfs/dbraw/zinc/31/88/63/1381318863.db2.gz JCYYCDPYICWZKP-UHFFFAOYSA-N 0 0 326.425 3.184 10 10 EGCERN Nc1cc(Cl)ccc1C(=O)NCCCSc1nccs1 ZINC001292997285 1382242807 /nfs/dbraw/zinc/24/28/07/1382242807.db2.gz MCSKUPRZWUUDBK-UHFFFAOYSA-N 0 0 327.862 3.291 10 10 EGCERN CC[C@H]1CCCN1c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001293418058 1382284959 /nfs/dbraw/zinc/28/49/59/1382284959.db2.gz RXJRHXNOAJJSFP-KRWDZBQOSA-N 0 0 327.476 3.388 10 10 EGCERN O=Cc1cc(F)c(C(=O)NCc2c(O)ccc3c2CCCC3)cc1F ZINC001294868286 1382517159 /nfs/dbraw/zinc/51/71/59/1382517159.db2.gz CHFVUXRJGJGKBP-UHFFFAOYSA-N 0 0 345.345 3.292 10 10 EGCERN Cc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1[N+](=O)[O-] ZINC001162607461 1382807221 /nfs/dbraw/zinc/80/72/21/1382807221.db2.gz QZJRYOFRDSVIMN-UHFFFAOYSA-N 0 0 337.335 3.087 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC001297562267 1383185495 /nfs/dbraw/zinc/18/54/95/1383185495.db2.gz FKVODTQBWGMXCP-CZUORRHYSA-N 0 0 326.433 3.089 10 10 EGCERN CCn1cc(CN(C(=O)c2ccc(N=NC(N)=O)cc2)C(C)C)cn1 ZINC001164471258 1383190048 /nfs/dbraw/zinc/19/00/48/1383190048.db2.gz DUQPTKUMVPAHKP-UHFFFAOYSA-N 0 0 342.403 3.116 10 10 EGCERN CO[C@@H](C)CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001298133172 1383373550 /nfs/dbraw/zinc/37/35/50/1383373550.db2.gz BPPAIUXGGZPTCP-HNNXBMFYSA-N 0 0 342.439 3.370 10 10 EGCERN Cc1cc(OCC(=O)NCc2ccc(O)cc2O)cc(C)c1Cl ZINC001299575056 1383574050 /nfs/dbraw/zinc/57/40/50/1383574050.db2.gz XCJBLTVSBYELHI-UHFFFAOYSA-N 0 0 335.787 3.063 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2c(C(F)(F)F)nc3ccccn32)c1 ZINC001167294119 1383587376 /nfs/dbraw/zinc/58/73/76/1383587376.db2.gz ZONRIOKUHJHTBG-UHFFFAOYSA-N 0 0 349.312 3.297 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1nccc2ccccc21 ZINC001299721592 1383622753 /nfs/dbraw/zinc/62/27/53/1383622753.db2.gz MTIJXHGRLISNIX-UHFFFAOYSA-N 0 0 329.359 3.419 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ncc2ccccc2c1O ZINC001299725217 1383623767 /nfs/dbraw/zinc/62/37/67/1383623767.db2.gz KMYNJZLAJIIQRM-UHFFFAOYSA-N 0 0 345.358 3.124 10 10 EGCERN O=C(CCCn1cnc2ccccc21)NCc1cc(Cl)ccc1O ZINC001300399492 1383662209 /nfs/dbraw/zinc/66/22/09/1383662209.db2.gz LANLOHCGULTWJM-UHFFFAOYSA-N 0 0 343.814 3.492 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(CO)CCCC2)cc1 ZINC001300831716 1383682454 /nfs/dbraw/zinc/68/24/54/1383682454.db2.gz GSDUJPHZWBBISG-UHFFFAOYSA-N 0 0 326.440 3.377 10 10 EGCERN Cc1nc2ccccc2c(C)c1CC(=O)NCc1cc(O)ccc1O ZINC001303223432 1383788272 /nfs/dbraw/zinc/78/82/72/1383788272.db2.gz PGCROCLPRLDWPV-UHFFFAOYSA-N 0 0 336.391 3.122 10 10 EGCERN CC(C)(C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1F ZINC001303225147 1383788303 /nfs/dbraw/zinc/78/83/03/1383788303.db2.gz ACFPDQQAYUJWST-UHFFFAOYSA-N 0 0 337.778 3.484 10 10 EGCERN CCN(CCOc1ccc2c(c1)OCO2)c1ccc(OC)c(OC)c1 ZINC001307573511 1384004326 /nfs/dbraw/zinc/00/43/26/1384004326.db2.gz IUGLNBCTESGAPY-UHFFFAOYSA-N 0 0 345.395 3.338 10 10 EGCERN COc1ccc(N(C)CCN(C)Cc2cn3c(cccc3C)n2)cc1 ZINC001307896727 1384053459 /nfs/dbraw/zinc/05/34/59/1384053459.db2.gz DOSGSCWRWLWKSX-UHFFFAOYSA-N 0 0 338.455 3.220 10 10 EGCERN CCOC(=O)c1c(C)n[nH]c1CN(C)c1ccc(OC(C)C)cc1 ZINC001169253107 1384127945 /nfs/dbraw/zinc/12/79/45/1384127945.db2.gz PIMAPNVBUVJFTH-UHFFFAOYSA-N 0 0 331.416 3.318 10 10 EGCERN CC(C)c1ccccc1OCCC(=O)NCc1cc(O)ccc1O ZINC001176748668 1385681352 /nfs/dbraw/zinc/68/13/52/1385681352.db2.gz YYIBWXGOVMZTQH-UHFFFAOYSA-N 0 0 329.396 3.307 10 10 EGCERN CC(C)(C)c1ccccc1OCC(=O)NCc1c(O)cccc1O ZINC001178904925 1386344218 /nfs/dbraw/zinc/34/42/18/1386344218.db2.gz DBNPYFDKOZMHSX-UHFFFAOYSA-N 0 0 329.396 3.091 10 10 EGCERN Cc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1-n1cccn1 ZINC001180411385 1386788427 /nfs/dbraw/zinc/78/84/27/1386788427.db2.gz XYCASSGHVZYIGS-UHFFFAOYSA-N 0 0 341.798 3.470 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)OC3CCCCC3)C2)cc1 ZINC001329351013 1389072453 /nfs/dbraw/zinc/07/24/53/1389072453.db2.gz HOQPMGJTROXOTH-HZPDHXFCSA-N 0 0 346.471 3.128 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCOC[C@@H]2C)c1 ZINC001331542528 1389791091 /nfs/dbraw/zinc/79/10/91/1389791091.db2.gz PWEJNECWOSNTJF-DJJJIMSYSA-N 0 0 340.423 3.061 10 10 EGCERN CC1(CC(=O)NCc2cc(NC(=O)CC3(C)CC3)ccc2O)CC1 ZINC001333520478 1390325853 /nfs/dbraw/zinc/32/58/53/1390325853.db2.gz VIADCIHYHSSNJS-UHFFFAOYSA-N 0 0 330.428 3.327 10 10 EGCERN O=C(NCc1c(O)cccc1F)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001341208323 1390455851 /nfs/dbraw/zinc/45/58/51/1390455851.db2.gz XTBKAGXSALWBOB-AWEZNQCLSA-N 0 0 346.358 3.021 10 10 EGCERN Cc1nc2sccn2c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001334955249 1390626068 /nfs/dbraw/zinc/62/60/68/1390626068.db2.gz OZPWSIFSHZRWDH-UHFFFAOYSA-N 0 0 340.452 3.017 10 10 EGCERN c1cc(NCc2ccc(N3CCCC3)cc2)n([C@H]2CCCOC2)n1 ZINC001343317931 1390707105 /nfs/dbraw/zinc/70/71/05/1390707105.db2.gz FSFONZVIGXHCTG-SFHVURJKSA-N 0 0 326.444 3.447 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)C3(C)CC3)C2)cc1 ZINC001346330848 1390922787 /nfs/dbraw/zinc/92/27/87/1390922787.db2.gz POKUIQHOVIPNCZ-HUUCEWRRSA-N 0 0 331.460 3.009 10 10 EGCERN COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001348134116 1391177378 /nfs/dbraw/zinc/17/73/78/1391177378.db2.gz JNDFMJSUWMZTSB-KRWDZBQOSA-N 0 0 342.414 3.247 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2ncc(C(F)(F)F)s2)c1 ZINC001349329206 1391321457 /nfs/dbraw/zinc/32/14/57/1391321457.db2.gz GJLKSZHUNVDFRS-ZETCQYMHSA-N 0 0 346.330 3.367 10 10 EGCERN CC(C)C(=O)c1ccc([C@H](C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001350300509 1391443621 /nfs/dbraw/zinc/44/36/21/1391443621.db2.gz SBZNXUQREXECCC-ZDUSSCGKSA-N 0 0 341.407 3.356 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001350491112 1391470904 /nfs/dbraw/zinc/47/09/04/1391470904.db2.gz XXJJPJAIOSTQHO-BMFZPTHFSA-N 0 0 337.414 3.294 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c(C2CC2)cnn1C ZINC001353910354 1392107516 /nfs/dbraw/zinc/10/75/16/1392107516.db2.gz IKOYSFFWLQJPAR-UHFFFAOYSA-N 0 0 338.455 3.170 10 10 EGCERN Cc1cc(CC(=O)Nc2c(C)ccn(C)c2=O)c(C)n1-c1ccccc1 ZINC001355109506 1392193985 /nfs/dbraw/zinc/19/39/85/1392193985.db2.gz BUJTTYOMRSSDMG-UHFFFAOYSA-N 0 0 349.434 3.282 10 10 EGCERN CON(C)c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)CCCN2C ZINC001698258590 1406137089 /nfs/dbraw/zinc/13/70/89/1406137089.db2.gz FRIMILQAQWFVGY-UHFFFAOYSA-N 0 0 343.475 3.004 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC1=CCCOC1 ZINC001706280504 1417145134 /nfs/dbraw/zinc/14/51/34/1417145134.db2.gz DIPVBXDSZWUTMU-UHFFFAOYSA-N 0 0 342.443 3.090 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCCCOC(C)C ZINC001707861884 1417384984 /nfs/dbraw/zinc/38/49/84/1417384984.db2.gz YJUKVKHIJKINTO-UHFFFAOYSA-N 0 0 332.448 3.134 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001724237219 1424747572 /nfs/dbraw/zinc/74/75/72/1424747572.db2.gz YFRLDWBFUNUGNQ-ZFWWWQNUSA-N 0 0 327.476 3.244 10 10 EGCERN Cc1nnc(N(C)CCC2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001762524306 1441376137 /nfs/dbraw/zinc/37/61/37/1441376137.db2.gz WHKNFISPIMNPCP-UHFFFAOYSA-N 0 0 331.439 3.076 10 10 EGCERN Cc1cccc(C)c1C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000904069347 1126132835 /nfs/dbraw/zinc/13/28/35/1126132835.db2.gz LGGSXPZKNDJCNU-SFHVURJKSA-N 0 0 325.408 3.024 10 10 EGCERN CC(=O)[C@H](N=Nc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000100045264 219089413 /nfs/dbraw/zinc/08/94/13/219089413.db2.gz FCUWHABSNJYYDW-MJWGMMHASA-N 0 0 326.312 3.275 10 10 EGCERN O=c1c2ccccc2[n-]c(=S)n1Cc1ccc(N2CCCC2)cc1 ZINC000100090602 219090381 /nfs/dbraw/zinc/09/03/81/219090381.db2.gz KJOQDHJLKAMZGL-UHFFFAOYSA-N 0 0 337.448 3.334 10 10 EGCERN Cc1ccc(-c2c(=O)c(=O)c2NCc2ccc(N(C)C)cc2)cc1C ZINC000020509601 212141753 /nfs/dbraw/zinc/14/17/53/212141753.db2.gz MGQOAOHQCLSLQV-UHFFFAOYSA-N 0 0 334.419 3.245 10 10 EGCERN Oc1ccccc1[C@@H]([C@H](O)c1ccccc1)n1nnc2ccccc21 ZINC000005489488 210473982 /nfs/dbraw/zinc/47/39/82/210473982.db2.gz VIPIBKAMZVGJLD-VQTJNVASSA-N 0 0 331.375 3.460 10 10 EGCERN COc1cc(/C=C2\c3ccccc3N(C)C2=O)c([N+](=O)[O-])cc1OC ZINC000007000375 208569036 /nfs/dbraw/zinc/56/90/36/208569036.db2.gz UXXCMOFFUDSKCX-MDWZMJQESA-N 0 0 340.335 3.129 10 10 EGCERN C[C@@H](COCc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000173339539 455268533 /nfs/dbraw/zinc/26/85/33/455268533.db2.gz KUQCJVIEUZBAKY-HNNXBMFYSA-N 0 0 328.412 3.139 10 10 EGCERN COc1ccc(N(Cc2nnc3n2CCCC3)[C@H](C)C2CC2)cc1 ZINC000264753248 455276108 /nfs/dbraw/zinc/27/61/08/455276108.db2.gz WXEXKPWTJDPKFE-CQSZACIVSA-N 0 0 326.444 3.428 10 10 EGCERN Cc1cc(C(=O)NCC(C)C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000028273329 453822981 /nfs/dbraw/zinc/82/29/81/453822981.db2.gz PADXCFUTCGZZOF-UHFFFAOYSA-N 0 0 328.412 3.251 10 10 EGCERN O=C1OC(c2cccnc2)=N/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000130232375 454183469 /nfs/dbraw/zinc/18/34/69/454183469.db2.gz RYKBLYXQQNEFKJ-QGOAFFKASA-N 0 0 333.391 3.416 10 10 EGCERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000046973027 454310096 /nfs/dbraw/zinc/31/00/96/454310096.db2.gz HSKPYSHSTXKAJC-VQIMIIECSA-N 0 0 345.487 3.386 10 10 EGCERN Cc1nc(CN[C@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)cs1 ZINC000065519388 454583063 /nfs/dbraw/zinc/58/30/63/454583063.db2.gz ZOKILEOXROLBSD-CYBMUJFWSA-N 0 0 348.491 3.193 10 10 EGCERN C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])N1CCOCC1 ZINC000184936116 455475960 /nfs/dbraw/zinc/47/59/60/455475960.db2.gz CJKUIGGBEGBSOP-GHMZBOCLSA-N 0 0 333.259 3.070 10 10 EGCERN COc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1O ZINC000109622052 454832509 /nfs/dbraw/zinc/83/25/09/454832509.db2.gz ITMCQAWTNIFLOC-STQMWFEESA-N 0 0 333.334 3.099 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000127152490 454942456 /nfs/dbraw/zinc/94/24/56/454942456.db2.gz HHGSXZMQQSMPID-SFHVURJKSA-N 0 0 345.370 3.013 10 10 EGCERN Cc1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)s1 ZINC000179128458 455012028 /nfs/dbraw/zinc/01/20/28/455012028.db2.gz OUJIDVLNEFXODT-HNNXBMFYSA-N 0 0 346.452 3.287 10 10 EGCERN COC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000171056664 455022865 /nfs/dbraw/zinc/02/28/65/455022865.db2.gz PVMDWIHFPAEZAF-QGZVFWFLSA-N 0 0 345.418 3.079 10 10 EGCERN Cc1nc(-c2cccc(NC(=O)c3ccc(C)c(O)c3O)c2)no1 ZINC000179455186 455049356 /nfs/dbraw/zinc/04/93/56/455049356.db2.gz COEIIAPEGJDJAK-UHFFFAOYSA-N 0 0 325.324 3.017 10 10 EGCERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000179523457 455054768 /nfs/dbraw/zinc/05/47/68/455054768.db2.gz NYIBTYGJMBHIKF-GFCCVEGCSA-N 0 0 332.425 3.191 10 10 EGCERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181023789 455277743 /nfs/dbraw/zinc/27/77/43/455277743.db2.gz NCAPXPGUZWJKKC-YFZXRXBPSA-N 0 0 339.391 3.100 10 10 EGCERN Cc1cc(C(=O)N2CCOc3nc(C)ccc32)c(C)n1-c1ccccn1 ZINC000181602579 455361148 /nfs/dbraw/zinc/36/11/48/455361148.db2.gz IUIKXPDOCQNSJH-UHFFFAOYSA-N 0 0 348.406 3.232 10 10 EGCERN CC(C)C[C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000184810647 455452103 /nfs/dbraw/zinc/45/21/03/455452103.db2.gz WWVITJGUJQIJFI-MRXNPFEDSA-N 0 0 332.488 3.194 10 10 EGCERN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)c(O)c1O ZINC000182312304 455485621 /nfs/dbraw/zinc/48/56/21/455485621.db2.gz GSFONTUBVZKJHH-CJNGLKHVSA-N 0 0 327.380 3.008 10 10 EGCERN Cc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)c(O)c1O ZINC000182312241 455485706 /nfs/dbraw/zinc/48/57/06/455485706.db2.gz GSFONTUBVZKJHH-XJKSGUPXSA-N 0 0 327.380 3.008 10 10 EGCERN Cc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(O)c1O ZINC000182505427 455527912 /nfs/dbraw/zinc/52/79/12/455527912.db2.gz OWNVDRBCPZFEOG-LRDDRELGSA-N 0 0 345.370 3.148 10 10 EGCERN Cc1nsc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1 ZINC000271356676 455610522 /nfs/dbraw/zinc/61/05/22/455610522.db2.gz OGIQTVUTMGETHV-MRXNPFEDSA-N 0 0 332.473 3.098 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000277666052 455629696 /nfs/dbraw/zinc/62/96/96/455629696.db2.gz MBMSJDHLKFYDJN-MAUKXSAKSA-N 0 0 333.476 3.098 10 10 EGCERN CN(C)c1ccc(CN(C)Cc2cn(C)nc2C(F)(F)F)cc1F ZINC000271422113 455631161 /nfs/dbraw/zinc/63/11/61/455631161.db2.gz ZNXDBLYWJFPVLW-UHFFFAOYSA-N 0 0 344.356 3.276 10 10 EGCERN C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000284198351 455649450 /nfs/dbraw/zinc/64/94/50/455649450.db2.gz BOERUNACIGVREV-VIFPVBQESA-N 0 0 339.298 3.148 10 10 EGCERN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000193129128 455744418 /nfs/dbraw/zinc/74/44/18/455744418.db2.gz HNZRLPOPCMJXPC-LBPRGKRZSA-N 0 0 337.379 3.083 10 10 EGCERN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@]12CCCO2 ZINC000293706608 455794489 /nfs/dbraw/zinc/79/44/89/455794489.db2.gz UHSYBHGVZHHQPJ-XHSDSOJGSA-N 0 0 329.799 3.001 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@H](C)c1ccc(C)cc1O ZINC000186599637 455803656 /nfs/dbraw/zinc/80/36/56/455803656.db2.gz IEFFNHWUDMIDKS-CQSZACIVSA-N 0 0 340.423 3.409 10 10 EGCERN CCCN(CCC)c1ccc(CN[C@H](C(N)=O)c2ccccn2)cc1 ZINC000295119821 455840040 /nfs/dbraw/zinc/84/00/40/455840040.db2.gz NAIDOMDZUWZSPW-IBGZPJMESA-N 0 0 340.471 3.024 10 10 EGCERN CC[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(F)cc1[O-] ZINC000286281806 456014957 /nfs/dbraw/zinc/01/49/57/456014957.db2.gz VZYOXARVVSSOHO-AWEZNQCLSA-N 0 0 336.432 3.454 10 10 EGCERN CCc1noc(C)c1CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000297194890 456147109 /nfs/dbraw/zinc/14/71/09/456147109.db2.gz CUQRDQLSDOFIBN-UHFFFAOYSA-N 0 0 344.459 3.343 10 10 EGCERN CC(C)CC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301676832 456183237 /nfs/dbraw/zinc/18/32/37/456183237.db2.gz QUMSEPRFOMUHHR-UHFFFAOYSA-N 0 0 333.388 3.188 10 10 EGCERN C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000189047635 456211322 /nfs/dbraw/zinc/21/13/22/456211322.db2.gz PRHVTORVMMDOHG-SJCJKPOMSA-N 0 0 346.377 3.122 10 10 EGCERN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273388035 456226618 /nfs/dbraw/zinc/22/66/18/456226618.db2.gz KBRPMPUSRDFIOQ-NWDGAFQWSA-N 0 0 344.367 3.483 10 10 EGCERN O=C(NCc1ccccc1O)Nc1nc(CN2CCCCC2)cs1 ZINC000299468054 456703072 /nfs/dbraw/zinc/70/30/72/456703072.db2.gz FHLMOGVUKGMDBR-UHFFFAOYSA-N 0 0 346.456 3.156 10 10 EGCERN Cn1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)c(C2CC2)n1 ZINC000292189346 456880412 /nfs/dbraw/zinc/88/04/12/456880412.db2.gz ZXCSQFMKCXWELB-UHFFFAOYSA-N 0 0 340.427 3.204 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367415302 457953683 /nfs/dbraw/zinc/95/36/83/457953683.db2.gz MAWQYHARPGNYHG-HXUWFJFHSA-N 0 0 345.487 3.245 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(C2)CCCOC3)cc1 ZINC000367415301 457954234 /nfs/dbraw/zinc/95/42/34/457954234.db2.gz MAWQYHARPGNYHG-FQEVSTJZSA-N 0 0 345.487 3.245 10 10 EGCERN Cc1ccc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cn1 ZINC000368624094 458050474 /nfs/dbraw/zinc/05/04/74/458050474.db2.gz TUJVNGYYPMAILU-UHFFFAOYSA-N 0 0 326.396 3.204 10 10 EGCERN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@@H](C)C[C@@H]2C)C1 ZINC000525939684 459518137 /nfs/dbraw/zinc/51/81/37/459518137.db2.gz CFODEROYOVZQSM-HOTGVXAUSA-N 0 0 339.483 3.417 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@]23C[C@H]2COC3(C)C)c1 ZINC000527766471 459728717 /nfs/dbraw/zinc/72/87/17/459728717.db2.gz OEWYODORUAULNX-XHDPSFHLSA-N 0 0 326.234 3.120 10 10 EGCERN CCCCCc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)n[nH]1 ZINC000611656539 460424007 /nfs/dbraw/zinc/42/40/07/460424007.db2.gz DQBYYKYVBAQHNB-UHFFFAOYSA-N 0 0 342.443 3.248 10 10 EGCERN CCC1(CC)CN(C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662506908 461272901 /nfs/dbraw/zinc/27/29/01/461272901.db2.gz OECACHOVEMHUBN-CQSZACIVSA-N 0 0 338.455 3.205 10 10 EGCERN CCn1cnc2c1ncnc2N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378401882 547819048 /nfs/dbraw/zinc/81/90/48/547819048.db2.gz KKGGDHZEOZKGPS-UHFFFAOYSA-N 0 0 340.818 3.188 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CC(F)C4)C3)ccc21 ZINC000677109410 549210250 /nfs/dbraw/zinc/21/02/50/549210250.db2.gz WCSIESRMIAZGGV-UHFFFAOYSA-N 0 0 344.430 3.479 10 10 EGCERN COc1ccc(N2CCC(NC(=O)C3(C(F)(F)F)CC3)CC2)cc1 ZINC000726562919 574562504 /nfs/dbraw/zinc/56/25/04/574562504.db2.gz PXGTXBHQPWIFSN-UHFFFAOYSA-N 0 0 342.361 3.123 10 10 EGCERN O=C(NCc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(F)cc1 ZINC000730108939 574920661 /nfs/dbraw/zinc/92/06/61/574920661.db2.gz CGPDKPHEGUEQMY-UHFFFAOYSA-N 0 0 340.398 3.315 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CCc2cccc(Br)c2C1 ZINC000735703827 575702095 /nfs/dbraw/zinc/70/20/95/575702095.db2.gz LQMYOKCHSXBLCW-UHFFFAOYSA-N 0 0 338.226 3.415 10 10 EGCERN CC(C)(C)OC(=O)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000743753693 576815455 /nfs/dbraw/zinc/81/54/55/576815455.db2.gz UZUNSRBFQSYWFE-UHFFFAOYSA-N 0 0 333.409 3.339 10 10 EGCERN COc1ccc(N2CCCN(C(=O)NCCCC3CC3)CC2)cc1 ZINC000077794527 1292484936 /nfs/dbraw/zinc/48/49/36/1292484936.db2.gz NRFZTJDZUCIIJP-UHFFFAOYSA-N 0 0 331.460 3.107 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cc(C)c(F)cc3F)CC2)cc1 ZINC000175890502 1294578101 /nfs/dbraw/zinc/57/81/01/1294578101.db2.gz DHVAPFPPIGVGSB-UHFFFAOYSA-N 0 0 346.377 3.244 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)[C@H](C)OC)c2C)cc1 ZINC000190397573 1295588432 /nfs/dbraw/zinc/58/84/32/1295588432.db2.gz QQKVWCQNFBLUND-ZFWWWQNUSA-N 0 0 330.428 3.256 10 10 EGCERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200580 1296270025 /nfs/dbraw/zinc/27/00/25/1296270025.db2.gz HAJSCIMDIMXMAV-OAHLLOKOSA-N 0 0 346.427 3.024 10 10 EGCERN CC(C)(COCc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204341 1296270753 /nfs/dbraw/zinc/27/07/53/1296270753.db2.gz CQLQBGLNIKQRMP-UHFFFAOYSA-N 0 0 325.408 3.477 10 10 EGCERN COc1ccc(C(=O)CCC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC000871203026 1296271769 /nfs/dbraw/zinc/27/17/69/1296271769.db2.gz KOPKVNKCQPUCPO-UHFFFAOYSA-N 0 0 343.354 3.045 10 10 EGCERN COc1ccc(CC(=O)N2Cc3cccc(O)c3C2)cc1OC(F)F ZINC000871206807 1296272930 /nfs/dbraw/zinc/27/29/30/1296272930.db2.gz FJSSAOZTRCEJIW-UHFFFAOYSA-N 0 0 349.333 3.087 10 10 EGCERN CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708138540 1298236366 /nfs/dbraw/zinc/23/63/66/1298236366.db2.gz CEUBWQIXFPMXMN-NSHDSACASA-N 0 0 334.641 3.419 10 10 EGCERN C[C@@H]1[C@@H]([NH3+])CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708125642 1298236143 /nfs/dbraw/zinc/23/61/43/1298236143.db2.gz WRBZRWNNMNWIOV-PELKAZGASA-N 0 0 333.657 3.120 10 10 EGCERN O=C1N=C(N2CCCCC2)S/C1=C\c1cccc2c1CCOC2 ZINC000887276886 1303729703 /nfs/dbraw/zinc/72/97/03/1303729703.db2.gz CJMQOTQRJNQPJO-WJDWOHSUSA-N 0 0 328.437 3.216 10 10 EGCERN CCN(CC)c1ccc(CN(C)Cc2ncc(C(=O)OC)s2)cc1 ZINC000893911221 1306125561 /nfs/dbraw/zinc/12/55/61/1306125561.db2.gz SNXMDONNDUFARF-UHFFFAOYSA-N 0 0 347.484 3.408 10 10 EGCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000895752057 1309504453 /nfs/dbraw/zinc/50/44/53/1309504453.db2.gz CNQAWUVVFCSKNH-CQSZACIVSA-N 0 0 327.758 3.017 10 10 EGCERN CC(C)C[C@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896354725 1309819232 /nfs/dbraw/zinc/81/92/32/1309819232.db2.gz NYQOTNKWDMNBID-LBPRGKRZSA-N 0 0 335.425 3.200 10 10 EGCERN COC[C@@H](OC)c1noc(Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000896658073 1309962730 /nfs/dbraw/zinc/96/27/30/1309962730.db2.gz SYVHAYGSHFFTGZ-QGZVFWFLSA-N 0 0 341.411 3.402 10 10 EGCERN CC1(C)[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]2CCCO[C@@H]21 ZINC000896672459 1309969844 /nfs/dbraw/zinc/96/98/44/1309969844.db2.gz KWFFNGAHGAPUCW-JQAFLVLXSA-N 0 0 347.436 3.246 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000897697268 1310436711 /nfs/dbraw/zinc/43/67/11/1310436711.db2.gz XXLRIPCHRFFJDO-FZMZJTMJSA-N 0 0 333.409 3.096 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000897731154 1310447772 /nfs/dbraw/zinc/44/77/72/1310447772.db2.gz VEAMEYSHWUIKED-LBPRGKRZSA-N 0 0 343.408 3.403 10 10 EGCERN COC[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897939540 1310524473 /nfs/dbraw/zinc/52/44/73/1310524473.db2.gz MKQAFAMKMIRFIA-NSHDSACASA-N 0 0 335.425 3.201 10 10 EGCERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC2(CCC2)O1 ZINC000898105795 1310593149 /nfs/dbraw/zinc/59/31/49/1310593149.db2.gz JWSFFBKHZRBLOP-JTQLQIEISA-N 0 0 333.409 3.096 10 10 EGCERN C[C@@H]1COC2(CCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898673276 1310820347 /nfs/dbraw/zinc/82/03/47/1310820347.db2.gz OLXZQSYBYWMMAY-SNVBAGLBSA-N 0 0 333.409 3.096 10 10 EGCERN CCCOc1nc(C)ccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857548084 1328547092 /nfs/dbraw/zinc/54/70/92/1328547092.db2.gz CMKOJRPQOFZXSE-UHFFFAOYSA-N 0 0 334.803 3.468 10 10 EGCERN CCc1cnc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000858147565 1328696105 /nfs/dbraw/zinc/69/61/05/1328696105.db2.gz UAZGQTXNAFNZEG-UHFFFAOYSA-N 0 0 325.428 3.382 10 10 EGCERN COc1ccc(N(CCO[C@H]2CCOC2)Cc2ccco2)cc1F ZINC000929992306 1328759703 /nfs/dbraw/zinc/75/97/03/1328759703.db2.gz RXGZSFVKYSXOKQ-INIZCTEOSA-N 0 0 335.375 3.239 10 10 EGCERN CN(C)c1ccc(CNC(=O)NC[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000913926427 1319179735 /nfs/dbraw/zinc/17/97/35/1319179735.db2.gz CCAMMJAOXIIGQQ-OAHLLOKOSA-N 0 0 333.476 3.146 10 10 EGCERN CCOc1ccc([C@H](C)NC(=O)NCc2c(O)cccc2F)cc1 ZINC000913973248 1319199531 /nfs/dbraw/zinc/19/95/31/1319199531.db2.gz HZUOQFPKQZPQAR-LBPRGKRZSA-N 0 0 332.375 3.490 10 10 EGCERN COC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000918642539 1319981603 /nfs/dbraw/zinc/98/16/03/1319981603.db2.gz DDABQCLGGJEROV-INIZCTEOSA-N 0 0 340.423 3.038 10 10 EGCERN O=C(Cn1ccc(C(F)F)n1)NCc1ccc(N2CCCCC2)cc1 ZINC000858835637 1328871896 /nfs/dbraw/zinc/87/18/96/1328871896.db2.gz IDGVLQOYNUJMFT-UHFFFAOYSA-N 0 0 348.397 3.127 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1 ZINC000858887320 1328883529 /nfs/dbraw/zinc/88/35/29/1328883529.db2.gz SROGGIYQNVCTJA-BMGDILEWSA-N 0 0 342.826 3.492 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)C[C@@H]1CCCO1 ZINC000859099004 1328923499 /nfs/dbraw/zinc/92/34/99/1328923499.db2.gz GATXRBHBUIYYPJ-KRWDZBQOSA-N 0 0 340.423 3.158 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)OCCc3ccccc3)C2)cc1 ZINC000859217691 1328948973 /nfs/dbraw/zinc/94/89/73/1328948973.db2.gz OEJWPFVIBTWGFJ-KRWDZBQOSA-N 0 0 340.423 3.243 10 10 EGCERN CN(C)c1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000920240063 1322153199 /nfs/dbraw/zinc/15/31/99/1322153199.db2.gz GGSNMGFMAACMJW-UHFFFAOYSA-N 0 0 347.344 3.473 10 10 EGCERN CN(C)Cc1csc(CNC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000922487577 1322540688 /nfs/dbraw/zinc/54/06/88/1322540688.db2.gz TYTOJDTVCHUFRV-AATRIKPKSA-N 0 0 330.501 3.074 10 10 EGCERN CC1(C)C[C@H]1C(=O)NCc1cc(NC(=O)[C@H]2CC2(C)C)ccc1O ZINC000923122798 1322696357 /nfs/dbraw/zinc/69/63/57/1322696357.db2.gz STCIQETUGQRLHA-UONOGXRCSA-N 0 0 330.428 3.039 10 10 EGCERN O=C(NCc1cccc(OC2CC2)c1F)NCc1c(O)cccc1F ZINC000923257367 1322719833 /nfs/dbraw/zinc/71/98/33/1322719833.db2.gz VUBWCZKHORYAHH-UHFFFAOYSA-N 0 0 348.349 3.211 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H](c1ncccn1)C1CC1 ZINC000925449706 1325154780 /nfs/dbraw/zinc/15/47/80/1325154780.db2.gz KSMWKZHDUHUQPV-QGZVFWFLSA-N 0 0 340.427 3.255 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@]12C[C@H]1CCC2 ZINC000925455612 1325157314 /nfs/dbraw/zinc/15/73/14/1325157314.db2.gz OANGSJOJPOXAKP-PXAZEXFGSA-N 0 0 334.803 3.000 10 10 EGCERN C[C@H](NC(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000926296314 1325507027 /nfs/dbraw/zinc/50/70/27/1325507027.db2.gz WJSFOLTZEJHMPQ-MISXGVKJSA-N 0 0 346.349 3.252 10 10 EGCERN C[C@@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)c1ccc(N(C)C)cc1 ZINC000860949854 1329372128 /nfs/dbraw/zinc/37/21/28/1329372128.db2.gz GMJBTWOVQYVEMG-CJNGLKHVSA-N 0 0 342.414 3.320 10 10 EGCERN CC[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000926977967 1327804956 /nfs/dbraw/zinc/80/49/56/1327804956.db2.gz FDDHSKDPMXSIKM-NOZJJQNGSA-N 0 0 331.243 3.266 10 10 EGCERN C[C@@H](NC(=O)NC[C@@]1(c2ccccc2)CCCO1)c1ccccc1O ZINC000927681044 1328103080 /nfs/dbraw/zinc/10/30/80/1328103080.db2.gz SHXBSNKYHCVVDK-FOIQADDNSA-N 0 0 340.423 3.458 10 10 EGCERN O=C(NC[C@]1(c2ccccc2)CCCO1)N1Cc2cccc(O)c2C1 ZINC000927679764 1328103455 /nfs/dbraw/zinc/10/34/55/1328103455.db2.gz GUERIHGGIVCALW-FQEVSTJZSA-N 0 0 338.407 3.123 10 10 EGCERN COc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnc1OC ZINC000861415652 1329417325 /nfs/dbraw/zinc/41/73/25/1329417325.db2.gz XDQPAYMNIJQJMS-LBPRGKRZSA-N 0 0 344.415 3.048 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Nc1cc(OC)cnc1F ZINC000861589107 1329428709 /nfs/dbraw/zinc/42/87/09/1329428709.db2.gz UEPFXFGCZDPUBM-UHFFFAOYSA-N 0 0 333.363 3.379 10 10 EGCERN CCCC(O)(CCC)CC(=O)NCc1ccc2cccnc2c1O ZINC000862027457 1329456072 /nfs/dbraw/zinc/45/60/72/1329456072.db2.gz SQRXLOYUYGQWFI-UHFFFAOYSA-N 0 0 330.428 3.278 10 10 EGCERN C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc2cccnc2c1O ZINC000862027762 1329456114 /nfs/dbraw/zinc/45/61/14/1329456114.db2.gz DXHGNMPWUQMKDA-CJNGLKHVSA-N 0 0 328.412 3.152 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C(F)F)o3)C2)cc1 ZINC000862158466 1329463343 /nfs/dbraw/zinc/46/33/43/1329463343.db2.gz HZHUIBCMAIUJIB-LLVKDONJSA-N 0 0 336.338 3.235 10 10 EGCERN CN(C)c1cc(F)c(CN2CCN(c3cccc(O)c3)CC2)cc1F ZINC000862216905 1329466841 /nfs/dbraw/zinc/46/68/41/1329466841.db2.gz PLGJYYHTZDRPJV-UHFFFAOYSA-N 0 0 347.409 3.059 10 10 EGCERN CN(C)c1ccc(CN2CCO[C@@H](CCF)C2)c(C(F)(F)F)c1 ZINC000862530597 1329492840 /nfs/dbraw/zinc/49/28/40/1329492840.db2.gz PGERTKBACCIGGC-AWEZNQCLSA-N 0 0 334.357 3.332 10 10 EGCERN Cc1cc(C(=O)N2CC(Cc3ccco3)C2)c(C)n1-c1ccccn1 ZINC000862863815 1329516174 /nfs/dbraw/zinc/51/61/74/1329516174.db2.gz CVYDNPDQVPIIKP-UHFFFAOYSA-N 0 0 335.407 3.397 10 10 EGCERN CO[C@H]1C[C@@H](CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000863771586 1329580097 /nfs/dbraw/zinc/58/00/97/1329580097.db2.gz MXBPAQUIGIWLTC-GLRZTSSQSA-N 0 0 340.423 3.061 10 10 EGCERN CO[C@H]1C[C@@H](CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000863773868 1329580178 /nfs/dbraw/zinc/58/01/78/1329580178.db2.gz JXLWKSLGRFKUJH-KDYLLFBJSA-N 0 0 330.403 3.388 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)[C@]23CCC[C@H]2OCC3)cc1 ZINC000864636877 1329633194 /nfs/dbraw/zinc/63/31/94/1329633194.db2.gz ZPOIYYUMYRMEBH-QUCCMNQESA-N 0 0 330.472 3.450 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)CC2)cc1 ZINC000865116488 1329670359 /nfs/dbraw/zinc/67/03/59/1329670359.db2.gz WZUHKELKIJNZQL-NOENWEJRSA-N 0 0 328.456 3.072 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)C2CC3(CSC3)C2)cc1F ZINC000865637094 1329723572 /nfs/dbraw/zinc/72/35/72/1329723572.db2.gz VQRDAKSNKYTUOC-UHFFFAOYSA-N 0 0 336.476 3.431 10 10 EGCERN Clc1ccc(C2=CCN(c3ccc(N4CCCC4)nn3)CC2)cn1 ZINC000865658152 1329726144 /nfs/dbraw/zinc/72/61/44/1329726144.db2.gz XPIZPWYWCLRSKE-UHFFFAOYSA-N 0 0 341.846 3.419 10 10 EGCERN COc1ccc(N2CC[C@H](CNc3ccc([C@@H](C)O)cn3)C2)cc1 ZINC000865888689 1329749224 /nfs/dbraw/zinc/74/92/24/1329749224.db2.gz TUPVCAVFJSERIM-HUUCEWRRSA-N 0 0 327.428 3.082 10 10 EGCERN CCOC(=O)c1cc(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])on1 ZINC000866517233 1330121020 /nfs/dbraw/zinc/12/10/20/1330121020.db2.gz YSCQAFJGJUBCQW-ZDUSSCGKSA-N 0 0 338.791 3.451 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Cc1cn2cc(F)ccc2n1 ZINC000866598897 1330131648 /nfs/dbraw/zinc/13/16/48/1330131648.db2.gz URCCHPAQRKDJDQ-UHFFFAOYSA-N 0 0 341.386 3.160 10 10 EGCERN CCC(C)(C)CCS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000866842160 1330151447 /nfs/dbraw/zinc/15/14/47/1330151447.db2.gz SILVAFTXMJPTNC-LBPRGKRZSA-N 0 0 329.462 3.208 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000867302509 1330192501 /nfs/dbraw/zinc/19/25/01/1330192501.db2.gz QDPTUKLKUJETSH-BONVTDFDSA-N 0 0 331.799 3.138 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCC12CC2 ZINC000868117673 1330251340 /nfs/dbraw/zinc/25/13/40/1330251340.db2.gz XFCCGIUHNVMHFU-KRWDZBQOSA-N 0 0 345.512 3.372 10 10 EGCERN CO[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)Cc1ccccc1 ZINC000868664375 1330310217 /nfs/dbraw/zinc/31/02/17/1330310217.db2.gz YOOLZXJFDCFUTC-HOCLYGCPSA-N 0 0 328.412 3.010 10 10 EGCERN CC(C)(C(=O)NCc1ccc2cccnc2c1O)[C@H]1CCCCO1 ZINC000868938841 1330378136 /nfs/dbraw/zinc/37/81/36/1330378136.db2.gz YIVOMLXPSHHHOR-OAHLLOKOSA-N 0 0 328.412 3.152 10 10 EGCERN COc1ccc(CNC(=O)NCc2ccc(C(C)(C)C)o2)c(O)c1 ZINC000869128815 1330419944 /nfs/dbraw/zinc/41/99/44/1330419944.db2.gz FJIVBXQERKLOSF-UHFFFAOYSA-N 0 0 332.400 3.291 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C(C)(C)CCC(C)=O)CC2)cc1 ZINC001324626802 1387705513 /nfs/dbraw/zinc/70/55/13/1387705513.db2.gz HKAITVLVFIRDBK-UHFFFAOYSA-N 0 0 346.471 3.129 10 10 EGCERN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001324759253 1387761829 /nfs/dbraw/zinc/76/18/29/1387761829.db2.gz OVXGAGDNQMLJPK-UHFFFAOYSA-N 0 0 342.487 3.176 10 10 EGCERN COC(=O)COc1ccc(N(C)Cc2c(F)ccc(C)c2F)cc1 ZINC001193308787 1367996294 /nfs/dbraw/zinc/99/62/94/1367996294.db2.gz HQOQGNIYXBNNBK-UHFFFAOYSA-N 0 0 335.350 3.461 10 10 EGCERN Cc1c(NCc2ccc(N3CCN(C)CC3)c(F)c2)n[nH]c1C(C)C ZINC001326490452 1388215375 /nfs/dbraw/zinc/21/53/75/1388215375.db2.gz HMMRLLOJHJATAZ-UHFFFAOYSA-N 0 0 345.466 3.345 10 10 EGCERN CO[C@H]1CCC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001124549297 1372710692 /nfs/dbraw/zinc/71/06/92/1372710692.db2.gz HCGINMHBQDASTG-HKUYNNGSSA-N 0 0 330.472 3.450 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/COc1ccccc1 ZINC001126522758 1372972343 /nfs/dbraw/zinc/97/23/43/1372972343.db2.gz HPNQIXDRDVDUML-RMKNXTFCSA-N 0 0 338.407 3.113 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nn(C)cc2Cl)cc1 ZINC001129138640 1373351297 /nfs/dbraw/zinc/35/12/97/1373351297.db2.gz BKHVBKYVDKYWAI-UHFFFAOYSA-N 0 0 342.830 3.411 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc2c1OCC2 ZINC001129820665 1373425494 /nfs/dbraw/zinc/42/54/94/1373425494.db2.gz XJYSXJOPWVNZIN-OAHLLOKOSA-N 0 0 338.451 3.357 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2ccc3ccccc3n2)cc1 ZINC001130544816 1373557982 /nfs/dbraw/zinc/55/79/82/1373557982.db2.gz VBADQOODFSJRFQ-UHFFFAOYSA-N 0 0 349.434 3.452 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4ncccc4c3)C2)cc1 ZINC001130826890 1373596501 /nfs/dbraw/zinc/59/65/01/1373596501.db2.gz MCSJMOJEIBDCCZ-KRWDZBQOSA-N 0 0 347.418 3.252 10 10 EGCERN CC[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032030 1375107298 /nfs/dbraw/zinc/10/72/98/1375107298.db2.gz HWXAHANQBZZLHN-INIZCTEOSA-N 0 0 348.487 3.425 10 10 EGCERN Cc1cc(CNC(=O)/C=C\c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC001132044679 1375114716 /nfs/dbraw/zinc/11/47/16/1375114716.db2.gz VKXPIZURSQWTQG-HJWRWDBZSA-N 0 0 348.450 3.466 10 10 EGCERN Cc1cc(CNC(=O)C2(n3cccn3)CC2)c(C)n1-c1ccccc1 ZINC001132048510 1375116608 /nfs/dbraw/zinc/11/66/08/1375116608.db2.gz XKONFBBXBZFZFC-UHFFFAOYSA-N 0 0 334.423 3.096 10 10 EGCERN CC(=O)Nc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001135601832 1377159844 /nfs/dbraw/zinc/15/98/44/1377159844.db2.gz QWYSSUZUJLTLSZ-UHFFFAOYSA-N 0 0 325.328 3.060 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cccc(C(F)(F)F)c2N)cc1 ZINC001135825023 1377222800 /nfs/dbraw/zinc/22/28/00/1377222800.db2.gz CDUOJVUKJPLWIJ-UHFFFAOYSA-N 0 0 337.345 3.284 10 10 EGCERN CC(C)c1nccn1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001136025276 1377303130 /nfs/dbraw/zinc/30/31/30/1377303130.db2.gz DRITXJZBNCWDRF-UHFFFAOYSA-N 0 0 340.471 3.265 10 10 EGCERN CSc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC001136436860 1377393046 /nfs/dbraw/zinc/39/30/46/1377393046.db2.gz MZMNKTIJAZPPQM-UHFFFAOYSA-N 0 0 327.453 3.116 10 10 EGCERN CC(C)(C)OC(=O)CCCC(=O)NCCCSc1nccs1 ZINC001136661941 1377413655 /nfs/dbraw/zinc/41/36/55/1377413655.db2.gz VULIEKJWRSOTRI-UHFFFAOYSA-N 0 0 344.502 3.254 10 10 EGCERN CSc1ccc(O)c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001136742883 1377419025 /nfs/dbraw/zinc/41/90/25/1377419025.db2.gz CAQSTSCODGLTLB-UHFFFAOYSA-N 0 0 330.453 3.419 10 10 EGCERN CC(C)[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001137298425 1377511927 /nfs/dbraw/zinc/51/19/27/1377511927.db2.gz PLJOFMSHCRHIHB-FQEVSTJZSA-N 0 0 325.408 3.422 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](O)CC(C)C ZINC001137359853 1377532282 /nfs/dbraw/zinc/53/22/82/1377532282.db2.gz MBODTRVXFIHNFH-QGZVFWFLSA-N 0 0 342.439 3.043 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H](CO)[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC001139270577 1377860920 /nfs/dbraw/zinc/86/09/20/1377860920.db2.gz ZGASCZAPEBGXAG-WBVHZDCISA-N 0 0 326.440 3.245 10 10 EGCERN O=C(Nc1cccc2nonc21)c1cc2cc(O)c(O)cc2s1 ZINC001140445356 1378063834 /nfs/dbraw/zinc/06/38/34/1378063834.db2.gz FLOYGRKJDHMIDJ-UHFFFAOYSA-N 0 0 327.321 3.101 10 10 EGCERN CO[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccc(F)cc1 ZINC001142731307 1378482714 /nfs/dbraw/zinc/48/27/14/1378482714.db2.gz SVGQDUVZORFUEF-GOSISDBHSA-N 0 0 340.354 3.083 10 10 EGCERN O=C(Cc1ccc2cnccc2c1)NCc1ccc2cccnc2c1O ZINC001142731398 1378482725 /nfs/dbraw/zinc/48/27/25/1378482725.db2.gz XUTSQNWMQJJUFE-UHFFFAOYSA-N 0 0 343.386 3.348 10 10 EGCERN Cc1cc(C)c2c(N)c(C(=O)OCC3CCC(O)CC3)sc2n1 ZINC001327786072 1388596347 /nfs/dbraw/zinc/59/63/47/1388596347.db2.gz XSCHTLRMZLEYQS-UHFFFAOYSA-N 0 0 334.441 3.203 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1ccc(Oc2ccccc2)o1 ZINC001153884678 1380149482 /nfs/dbraw/zinc/14/94/82/1380149482.db2.gz FJYKAABCYOWEEW-UHFFFAOYSA-N 0 0 325.320 3.413 10 10 EGCERN CC[C@@]1(CO)CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001154625431 1380319704 /nfs/dbraw/zinc/31/97/04/1380319704.db2.gz ABDOHUROXKLTLS-NRFANRHFSA-N 0 0 340.467 3.400 10 10 EGCERN Cc1nc2ccccc2c(C)c1CC(=O)NCc1c(O)cccc1O ZINC001156881254 1380715933 /nfs/dbraw/zinc/71/59/33/1380715933.db2.gz VZCROOCXJWERKJ-UHFFFAOYSA-N 0 0 336.391 3.122 10 10 EGCERN Cc1nc(-c2cccc(C(=O)NCc3c(O)cccc3O)c2)cs1 ZINC001156881162 1380716175 /nfs/dbraw/zinc/71/61/75/1380716175.db2.gz RSZXQYPTJXVGDZ-UHFFFAOYSA-N 0 0 340.404 3.460 10 10 EGCERN Cc1c(C(=O)NCc2c(O)cccc2O)cccc1-c1ccccn1 ZINC001156880916 1380716421 /nfs/dbraw/zinc/71/64/21/1380716421.db2.gz HDZSZDCGBZMQPF-UHFFFAOYSA-N 0 0 334.375 3.398 10 10 EGCERN C[C@]1(C(=O)NCc2c(O)ccc3ccccc32)COc2ccccc2O1 ZINC001157050493 1380761035 /nfs/dbraw/zinc/76/10/35/1380761035.db2.gz HNDXWMIYIFNYIU-OAQYLSRUSA-N 0 0 349.386 3.392 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@@H]1CCCC[C@H]1CC ZINC001157102676 1380775780 /nfs/dbraw/zinc/77/57/80/1380775780.db2.gz OWDYENPJAKXOBV-RHSMWYFYSA-N 0 0 340.460 3.480 10 10 EGCERN Cc1cc(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c(C)n1-c1cccc(C)c1 ZINC001287662351 1381321091 /nfs/dbraw/zinc/32/10/91/1381321091.db2.gz ZCFAVHNDSDPDDI-VAMGGRTRSA-N 0 0 338.451 3.444 10 10 EGCERN CN(C)c1ccnc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001295559736 1382724518 /nfs/dbraw/zinc/72/45/18/1382724518.db2.gz MRNPYVZVMBVHNM-UHFFFAOYSA-N 0 0 329.381 3.026 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CSc2ccccc21 ZINC001299721681 1383622614 /nfs/dbraw/zinc/62/26/14/1383622614.db2.gz PQAMNKUANSPPEV-OAHLLOKOSA-N 0 0 336.416 3.446 10 10 EGCERN CC(C)c1ncsc1C(=O)NCc1ccc2cccnc2c1O ZINC001299726378 1383625024 /nfs/dbraw/zinc/62/50/24/1383625024.db2.gz SLVXJQPCDCGPJX-UHFFFAOYSA-N 0 0 327.409 3.450 10 10 EGCERN COC(=O)[C@H](C)N(C)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001300922344 1383685959 /nfs/dbraw/zinc/68/59/59/1383685959.db2.gz HIHBLASSHZVTTO-INIZCTEOSA-N 0 0 342.439 3.344 10 10 EGCERN CCN(CC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccc(OC)cc1 ZINC001167834315 1383752898 /nfs/dbraw/zinc/75/28/98/1383752898.db2.gz FDLFPKXSYWFIKO-APWZRJJASA-N 0 0 348.487 3.233 10 10 EGCERN CCCOc1ccc(Cl)cc1C(=O)NCc1cc(O)ccc1O ZINC001303223582 1383788096 /nfs/dbraw/zinc/78/80/96/1383788096.db2.gz WAJVWJKTXKVFDX-UHFFFAOYSA-N 0 0 335.787 3.470 10 10 EGCERN Cc1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CCCSc1nccs1 ZINC001304810353 1383855767 /nfs/dbraw/zinc/85/57/67/1383855767.db2.gz YUXNWGZZZXEKJC-BETUJISGSA-N 0 0 349.529 3.318 10 10 EGCERN C[C@H]1C[C@H]1n1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1O ZINC001304957024 1383858379 /nfs/dbraw/zinc/85/83/79/1383858379.db2.gz SCXCGGZTGOBLEU-WMLDXEAASA-N 0 0 349.438 3.187 10 10 EGCERN CN(C)c1ccc(CNC(=O)CN2CCCCc3ccccc32)cc1 ZINC001307534284 1383998287 /nfs/dbraw/zinc/99/82/87/1383998287.db2.gz BTSOLMNOAKKKGH-UHFFFAOYSA-N 0 0 337.467 3.212 10 10 EGCERN COc1ccc(N(CCn2c(C)ncc2[N+](=O)[O-])CC(C)C)cc1 ZINC001307851045 1384042717 /nfs/dbraw/zinc/04/27/17/1384042717.db2.gz SRXHIVZPGWIXOE-UHFFFAOYSA-N 0 0 332.404 3.271 10 10 EGCERN COc1ccc(N(Cc2ccccc2)CC2OCCO2)cc1OC ZINC001308174879 1384105746 /nfs/dbraw/zinc/10/57/46/1384105746.db2.gz XLRVCNVROPFFFM-UHFFFAOYSA-N 0 0 329.396 3.083 10 10 EGCERN C[C@H](NC(=O)N[C@H](CO)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001312530201 1384355586 /nfs/dbraw/zinc/35/55/86/1384355586.db2.gz BAXCJHKMNWDCGZ-HOCLYGCPSA-N 0 0 335.492 3.300 10 10 EGCERN COCCCCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001316003867 1384455205 /nfs/dbraw/zinc/45/52/05/1384455205.db2.gz GQTPWXZGJWLZLG-UHFFFAOYSA-N 0 0 344.459 3.314 10 10 EGCERN Cc1ccc(C)c(C2=NO[C@@H](C(=O)N[C@@H](C)c3ccccc3O)C2)c1 ZINC001171729417 1384616652 /nfs/dbraw/zinc/61/66/52/1384616652.db2.gz BVPBJYFPTNFEOK-IFXJQAMLSA-N 0 0 338.407 3.379 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC001329142561 1388988115 /nfs/dbraw/zinc/98/81/15/1388988115.db2.gz RRAWIGJVRMUIOG-LSDHHAIUSA-N 0 0 334.435 3.309 10 10 EGCERN Cc1cccc(C(=O)NCc2cc(O)ccc2O)c1Br ZINC001176755733 1385685040 /nfs/dbraw/zinc/68/50/40/1385685040.db2.gz ULZWHJYOKOBBQO-UHFFFAOYSA-N 0 0 336.185 3.099 10 10 EGCERN O=C(N[C@@H]1CO[C@H]1c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001179920042 1386630094 /nfs/dbraw/zinc/63/00/94/1386630094.db2.gz DLFPVDYKMPUXKX-PXAZEXFGSA-N 0 0 341.388 3.182 10 10 EGCERN COc1ccc(CCCNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001329491003 1389131051 /nfs/dbraw/zinc/13/10/51/1389131051.db2.gz FKCLTZQDPUPFIF-AWEZNQCLSA-N 0 0 328.412 3.394 10 10 EGCERN C[C@H](NC(=O)N(C)C[C@]12CCC[C@H]1OCC2)c1ccc(N(C)C)cc1 ZINC001340206519 1390249915 /nfs/dbraw/zinc/24/99/15/1390249915.db2.gz UIEXLTVBWPWCEQ-QKYXUNIQSA-N 0 0 345.487 3.414 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)c1cnc2cnccc2c1 ZINC001342949991 1390676825 /nfs/dbraw/zinc/67/68/25/1390676825.db2.gz FAHGWQSXRCJBRQ-UHFFFAOYSA-N 0 0 325.715 3.072 10 10 EGCERN CC(C)[C@H](F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001350628728 1391493967 /nfs/dbraw/zinc/49/39/67/1391493967.db2.gz LRHXYYPJBWWEKN-INIZCTEOSA-N 0 0 325.339 3.395 10 10 EGCERN C/C(=C/C(=O)N1C[C@H](C)Oc2ccc(Cl)cc21)c1cnccn1 ZINC001354553345 1392152257 /nfs/dbraw/zinc/15/22/57/1392152257.db2.gz BTRHBJHUDIQUFC-RDQDRAATSA-N 0 0 329.787 3.347 10 10 EGCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1CC1(CC)CC1 ZINC001696250886 1406110511 /nfs/dbraw/zinc/11/05/11/1406110511.db2.gz IBEZCNAQCBAGTC-UHFFFAOYSA-N 0 0 344.459 3.347 10 10 EGCERN CCc1nnc(N(C)C2CCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001762848252 1441378760 /nfs/dbraw/zinc/37/87/60/1441378760.db2.gz QQJFCRIITNEXBT-UHFFFAOYSA-N 0 0 339.487 3.260 10 10 EGCERN C[C@@H]1SC(=S)N(c2ccc(I)cc2)C1=O ZINC000003615967 210067903 /nfs/dbraw/zinc/06/79/03/210067903.db2.gz DADXDQGOZNXDAW-LURJTMIESA-N 0 0 349.218 3.044 10 10 EGCERN Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(N)c2)C3=O)cc1 ZINC000000050397 209391013 /nfs/dbraw/zinc/39/10/13/209391013.db2.gz YMLDMHWALADIFI-UHFFFAOYSA-N 0 0 345.358 3.444 10 10 EGCERN NN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000006239912 210605432 /nfs/dbraw/zinc/60/54/32/210605432.db2.gz QWMRMASIZIFTST-GDNBJRDFSA-N 0 0 342.445 3.341 10 10 EGCERN CC1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccc(N(C)C)cc2)C1 ZINC000039563641 281699624 /nfs/dbraw/zinc/69/96/24/281699624.db2.gz PWLQBSICUPNNSI-SFHVURJKSA-N 0 0 343.452 3.264 10 10 EGCERN Cc1csc([C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n1 ZINC000180823918 455251856 /nfs/dbraw/zinc/25/18/56/455251856.db2.gz SVXFAXFFDHDQHW-HZRUHFOJSA-N 0 0 344.436 3.282 10 10 EGCERN O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCCc2ccccc21 ZINC000014170256 453514093 /nfs/dbraw/zinc/51/40/93/453514093.db2.gz NHQCZMBPWLHWLT-OUKQBFOZSA-N 0 0 344.418 3.319 10 10 EGCERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000053916186 453900233 /nfs/dbraw/zinc/90/02/33/453900233.db2.gz LTHYODZJCSSXAW-DYVFJYSZSA-N 0 0 338.407 3.259 10 10 EGCERN Cc1nc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000048234804 454460161 /nfs/dbraw/zinc/46/01/61/454460161.db2.gz FCZZWEQGTCIFMG-STQMWFEESA-N 0 0 349.475 3.494 10 10 EGCERN COc1ccc(N2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000048759893 454513529 /nfs/dbraw/zinc/51/35/29/454513529.db2.gz BXVDJEBVADXJJG-UHFFFAOYSA-N 0 0 348.244 3.179 10 10 EGCERN Cc1noc(CCNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000065475449 454573921 /nfs/dbraw/zinc/57/39/21/454573921.db2.gz DKNUQLDIYJACFX-UHFFFAOYSA-N 0 0 338.411 3.066 10 10 EGCERN COc1cccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1O ZINC000092812167 454637920 /nfs/dbraw/zinc/63/79/20/454637920.db2.gz VMRSMFIOLZKCSE-OAHLLOKOSA-N 0 0 342.443 3.056 10 10 EGCERN COc1ccc(O)c(CN[C@@H](c2noc(C)n2)c2ccccc2F)c1 ZINC000182243968 455471069 /nfs/dbraw/zinc/47/10/69/455471069.db2.gz PHUPMGKMCDLBQT-QGZVFWFLSA-N 0 0 343.358 3.111 10 10 EGCERN O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000264083673 455190767 /nfs/dbraw/zinc/19/07/67/455190767.db2.gz VARNWTITTZFOBO-GFCCVEGCSA-N 0 0 349.774 3.222 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H](C)c2cccnc2)cc1F ZINC000174729304 455413094 /nfs/dbraw/zinc/41/30/94/455413094.db2.gz RCAWCQZBAGWWIC-CQSZACIVSA-N 0 0 329.419 3.487 10 10 EGCERN Cc1cc(Cl)cc(CN2CCN(Cc3cccnc3)CC2)c1O ZINC000182055373 455425109 /nfs/dbraw/zinc/42/51/09/455425109.db2.gz DULCUOXLKMJFGW-UHFFFAOYSA-N 0 0 331.847 3.067 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184690074 455428138 /nfs/dbraw/zinc/42/81/38/455428138.db2.gz QYKGSWSWVMFPTI-UHFFFAOYSA-N 0 0 348.406 3.191 10 10 EGCERN CC1([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)OCCO1 ZINC000293499445 455789123 /nfs/dbraw/zinc/78/91/23/455789123.db2.gz BJNJMAPERCBAHU-LBPRGKRZSA-N 0 0 329.799 3.160 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@H](C)c1cc(F)ccc1O ZINC000186604441 455804425 /nfs/dbraw/zinc/80/44/25/455804425.db2.gz AYBRXUVMYYJAOJ-GFCCVEGCSA-N 0 0 344.386 3.240 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000295406946 455848128 /nfs/dbraw/zinc/84/81/28/455848128.db2.gz RGMAVKFJCVJIJC-JQWIXIFHSA-N 0 0 327.705 3.072 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sc2nccn2c1C ZINC000269858753 455853947 /nfs/dbraw/zinc/85/39/47/455853947.db2.gz IREJGBHIRNTXQY-UHFFFAOYSA-N 0 0 342.468 3.433 10 10 EGCERN Cc1cc(C(=O)CN2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505288 455974053 /nfs/dbraw/zinc/97/40/53/455974053.db2.gz FFLHBCXNXUTSIG-CVEARBPZSA-N 0 0 344.430 3.119 10 10 EGCERN CN(Cc1ccccc1O)C(=O)CO[C@@H]1CCCc2ccccc21 ZINC000280652354 456023754 /nfs/dbraw/zinc/02/37/54/456023754.db2.gz DQWMWLVMMUTZKJ-LJQANCHMSA-N 0 0 325.408 3.445 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CC(F)F)c1O ZINC000286510280 456048154 /nfs/dbraw/zinc/04/81/54/456048154.db2.gz QERXKBFAOCJQLO-GFCCVEGCSA-N 0 0 333.762 3.104 10 10 EGCERN CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287585748 456071901 /nfs/dbraw/zinc/07/19/01/456071901.db2.gz HRENQMNSSYXXOI-ZANVPECISA-N 0 0 329.231 3.420 10 10 EGCERN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(N3CCCC3)nc2)c1 ZINC000273505163 456235668 /nfs/dbraw/zinc/23/56/68/456235668.db2.gz QVTCDRKJJQGUDZ-ZDUSSCGKSA-N 0 0 341.411 3.347 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)NC3(C(F)F)CC3)ccc21 ZINC000337269518 456342393 /nfs/dbraw/zinc/34/23/93/456342393.db2.gz YWMATWTZBICPRX-UHFFFAOYSA-N 0 0 336.382 3.432 10 10 EGCERN COc1ccc(O)c(CNc2ncnc3cc(F)c(OC)cc32)c1 ZINC000302577159 456361581 /nfs/dbraw/zinc/36/15/81/456361581.db2.gz RJDJYQRQBSBUTH-UHFFFAOYSA-N 0 0 329.331 3.104 10 10 EGCERN CC(C)(C)c1cnc(SCC(=O)N2CCOC[C@H]2C2CC2)s1 ZINC000378337282 457389149 /nfs/dbraw/zinc/38/91/49/457389149.db2.gz SLUNITRORIJFBU-LBPRGKRZSA-N 0 0 340.514 3.170 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000528864711 459815379 /nfs/dbraw/zinc/81/53/79/459815379.db2.gz QYSSSTSGFLQRHP-FHLIZLRMSA-N 0 0 343.810 3.256 10 10 EGCERN COc1ccc(CNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000529226454 459826156 /nfs/dbraw/zinc/82/61/56/459826156.db2.gz DOAGBHXBXMQDKN-DLBZAZTESA-N 0 0 329.371 3.350 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H](C)n2nc(C)cc2C)cc1F ZINC000731345573 575067142 /nfs/dbraw/zinc/06/71/42/575067142.db2.gz BUYKJEBBIRYUMY-HNNXBMFYSA-N 0 0 346.450 3.363 10 10 EGCERN CCN(CC)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1F ZINC000731371362 575069767 /nfs/dbraw/zinc/06/97/67/575069767.db2.gz AHQZEHTXKNTLMN-UHFFFAOYSA-N 0 0 341.386 3.136 10 10 EGCERN CNC(=O)c1cncc(/C=C\C(=O)N(CC(C)C)c2ccccc2)c1 ZINC000731969291 575227654 /nfs/dbraw/zinc/22/76/54/575227654.db2.gz UXLGQWVIQYEXJN-KTKRTIGZSA-N 0 0 337.423 3.144 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2cc[nH]n2)c(C)n1-c1ccc(F)cc1 ZINC000732660852 575281551 /nfs/dbraw/zinc/28/15/51/575281551.db2.gz VOGFLUSUSMXUGT-UHFFFAOYSA-N 0 0 326.375 3.229 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2cc(Cl)nc(N(C)C)c2)cc1 ZINC000733126803 575310433 /nfs/dbraw/zinc/31/04/33/575310433.db2.gz XEOXZIKDIYTOMX-UHFFFAOYSA-N 0 0 346.862 3.139 10 10 EGCERN Cc1cn2cc(NC(=O)NCc3ccc4c(c3)CCCN4C)ccc2n1 ZINC000738920672 576369288 /nfs/dbraw/zinc/36/92/88/576369288.db2.gz VKMAQUMVODGPGM-UHFFFAOYSA-N 0 0 349.438 3.347 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2nccn2c1 ZINC000738949284 576370233 /nfs/dbraw/zinc/37/02/33/576370233.db2.gz LRVPPIGFZFONBX-UHFFFAOYSA-N 0 0 335.411 3.256 10 10 EGCERN CCc1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000740463447 576584571 /nfs/dbraw/zinc/58/45/71/576584571.db2.gz MQAMBEVOYUGPFW-UHFFFAOYSA-N 0 0 344.415 3.036 10 10 EGCERN CC(=O)Nc1ccc(NC(=S)NNc2cccc(F)c2F)cc1 ZINC000743004003 576799436 /nfs/dbraw/zinc/79/94/36/576799436.db2.gz GZSWFWDWKXQRPI-UHFFFAOYSA-N 0 0 336.367 3.237 10 10 EGCERN CCN(Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000708100099 1298234889 /nfs/dbraw/zinc/23/48/89/1298234889.db2.gz RGVFLCFMQLGKRO-GFCCVEGCSA-N 0 0 347.684 3.382 10 10 EGCERN CN(Cc1ccccc1O)C(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000119961105 1293296404 /nfs/dbraw/zinc/29/64/04/1293296404.db2.gz DXECKWNLOZQPDE-UHFFFAOYSA-N 0 0 347.414 3.287 10 10 EGCERN Cc1ccc(C(=O)N2CCC(Oc3ccccc3F)CC2)c(O)c1O ZINC000870242331 1295757956 /nfs/dbraw/zinc/75/79/56/1295757956.db2.gz LNBKGUBVJPDKKJ-UHFFFAOYSA-N 0 0 345.370 3.229 10 10 EGCERN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1Cc2cccc(O)c2C1 ZINC000871198695 1296268509 /nfs/dbraw/zinc/26/85/09/1296268509.db2.gz NEURBQSJAPVNNO-KRWDZBQOSA-N 0 0 339.391 3.106 10 10 EGCERN CCOc1cccc2c1OCC(C(=O)N1Cc3cccc(O)c3C1)=C2 ZINC000871200561 1296270279 /nfs/dbraw/zinc/27/02/79/1296270279.db2.gz GKWJQGAYRAQHIM-UHFFFAOYSA-N 0 0 337.375 3.109 10 10 EGCERN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000871202239 1296270726 /nfs/dbraw/zinc/27/07/26/1296270726.db2.gz BAVWXRICPDGPJC-UHFFFAOYSA-N 0 0 326.352 3.120 10 10 EGCERN COc1ccc(CCCC(=O)N2Cc3cccc(O)c3C2)c(OC)c1 ZINC000871202568 1296271484 /nfs/dbraw/zinc/27/14/84/1296271484.db2.gz AVWNHWLGCAJNEY-UHFFFAOYSA-N 0 0 341.407 3.275 10 10 EGCERN CC[C@@H](C)c1nc(C)c(CC(=O)N2Cc3cccc(O)c3C2)c(C)n1 ZINC000871205762 1296272507 /nfs/dbraw/zinc/27/25/07/1296272507.db2.gz KUNCFUVPJNMHDW-GFCCVEGCSA-N 0 0 339.439 3.397 10 10 EGCERN COc1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cn1 ZINC000255405277 1296529795 /nfs/dbraw/zinc/52/97/95/1296529795.db2.gz ACDAEBLBLBOFHU-UKTHLTGXSA-N 0 0 328.418 3.496 10 10 EGCERN C[C@H]1CC[C@H](C[NH3+])CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708098235 1298235589 /nfs/dbraw/zinc/23/55/89/1298235589.db2.gz FQFNTDLAHPWUGP-VHSXEESVSA-N 0 0 347.684 3.367 10 10 EGCERN [NH3+]C[C@@H]1CCCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708091772 1298235049 /nfs/dbraw/zinc/23/50/49/1298235049.db2.gz XSQVAPQNVRTMII-NSHDSACASA-N 0 0 333.657 3.121 10 10 EGCERN C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708100789 1298235467 /nfs/dbraw/zinc/23/54/67/1298235467.db2.gz VUCOPIKJWSHNGJ-JTQLQIEISA-N 0 0 347.684 3.240 10 10 EGCERN CC(C)O[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715819266 1298289515 /nfs/dbraw/zinc/28/95/15/1298289515.db2.gz VDWBVSYOQFEDAK-LBPRGKRZSA-N 0 0 332.213 3.293 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000880056813 1300904807 /nfs/dbraw/zinc/90/48/07/1300904807.db2.gz KVRJXUKUMFLEAL-YMTOWFKASA-N 0 0 349.324 3.276 10 10 EGCERN CC1(C)[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]2CCCO[C@H]21 ZINC000896672457 1309969911 /nfs/dbraw/zinc/96/99/11/1309969911.db2.gz KWFFNGAHGAPUCW-AMKSKSKJSA-N 0 0 347.436 3.246 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(CC(F)(F)F)C1 ZINC000896975385 1310115157 /nfs/dbraw/zinc/11/51/57/1310115157.db2.gz XEHBPEDIOWXUQR-UHFFFAOYSA-N 0 0 331.315 3.337 10 10 EGCERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H](CO)CC(C)(C)C ZINC000897914280 1310515413 /nfs/dbraw/zinc/51/54/13/1310515413.db2.gz IZYFLQVTQAHITR-NSHDSACASA-N 0 0 337.441 3.182 10 10 EGCERN CCn1cc([C@@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC000897921162 1310516608 /nfs/dbraw/zinc/51/66/08/1310516608.db2.gz CPKYQSVSUGTSQJ-SECBINFHSA-N 0 0 331.397 3.020 10 10 EGCERN C[C@H]1CC2(CN1C(=O)c1cc3cc(O)c(O)cc3s1)CCOCC2 ZINC000898105589 1310593536 /nfs/dbraw/zinc/59/35/36/1310593536.db2.gz KPTOCMIGTSNEND-NSHDSACASA-N 0 0 347.436 3.344 10 10 EGCERN CC1(c2nsc(NC(=O)c3cc4cc(O)c(O)cc4s3)n2)CC1 ZINC000899130012 1310945152 /nfs/dbraw/zinc/94/51/52/1310945152.db2.gz OYOQLUJLJDQMET-UHFFFAOYSA-N 0 0 347.421 3.468 10 10 EGCERN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCc3sccc3C2=O)c1 ZINC000899133172 1310947799 /nfs/dbraw/zinc/94/77/99/1310947799.db2.gz HMZSLBQSWGSSMT-LBPRGKRZSA-N 0 0 329.421 3.214 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000857547499 1328546911 /nfs/dbraw/zinc/54/69/11/1328546911.db2.gz HJBHCGCFLOPRHP-HNNXBMFYSA-N 0 0 338.190 3.319 10 10 EGCERN CN(C)c1ccc(CN(C(=O)[C@]23C[C@H]2COC3(C)C)C2CC2)cc1 ZINC000857574760 1328551782 /nfs/dbraw/zinc/55/17/82/1328551782.db2.gz AASAIURKJDTBOY-YWZLYKJASA-N 0 0 328.456 3.059 10 10 EGCERN COc1ccc(N2CCC[N@@H+]([C@@H](C)c3snnc3C)CC2)cc1 ZINC000929314427 1328565315 /nfs/dbraw/zinc/56/53/15/1328565315.db2.gz AVGKLIGHWBLMPH-AWEZNQCLSA-N 0 0 332.473 3.128 10 10 EGCERN CN(C)c1ccc(/C=C\CN2Cc3ccccc3N(C)C(=O)C2)cc1 ZINC000857881204 1328614165 /nfs/dbraw/zinc/61/41/65/1328614165.db2.gz DOJTWHXTKCJYQJ-SREVYHEPSA-N 0 0 335.451 3.244 10 10 EGCERN CN(C)c1ccc(CN2CCc3nccc(Br)c3C2)cc1 ZINC000857917070 1328624001 /nfs/dbraw/zinc/62/40/01/1328624001.db2.gz RLYQETPKZCLSJH-UHFFFAOYSA-N 0 0 346.272 3.468 10 10 EGCERN CCSc1c[nH]c(=O)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000929527142 1328626932 /nfs/dbraw/zinc/62/69/32/1328626932.db2.gz DHKJYIFQUOECFT-UHFFFAOYSA-N 0 0 345.468 3.237 10 10 EGCERN O=C(NCc1cc(C2CC2)no1)c1cc2cc(O)c(O)cc2s1 ZINC000899367981 1317004433 /nfs/dbraw/zinc/00/44/33/1317004433.db2.gz GHUSENXXGWNHSK-UHFFFAOYSA-N 0 0 330.365 3.108 10 10 EGCERN Oc1cccc(Br)c1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000858189570 1328707228 /nfs/dbraw/zinc/70/72/28/1328707228.db2.gz OVQYAXYQSRAJDB-GOEBONIOSA-N 0 0 334.213 3.423 10 10 EGCERN CCn1ncc(CNCc2ccc(N(C)Cc3cccs3)cc2)n1 ZINC000858206507 1328711146 /nfs/dbraw/zinc/71/11/46/1328711146.db2.gz MWMWQNUSDIIIFB-UHFFFAOYSA-N 0 0 341.484 3.286 10 10 EGCERN COc1ccc(N(Cc2ccco2)C[C@@H]2C[C@@H]3COC[C@H]3O2)cc1F ZINC000929990077 1328758754 /nfs/dbraw/zinc/75/87/54/1328758754.db2.gz BHWUPVVFWIKQCF-ACWOFJMJSA-N 0 0 347.386 3.238 10 10 EGCERN Cc1cccc2c1C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000858460065 1328767820 /nfs/dbraw/zinc/76/78/20/1328767820.db2.gz RTTVFYVJPRIJOP-CHWSQXEVSA-N 0 0 328.368 3.263 10 10 EGCERN CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858522612 1328787809 /nfs/dbraw/zinc/78/78/09/1328787809.db2.gz GUJHPUCTKHVNRK-SMDDNHRTSA-N 0 0 333.259 3.070 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC000858604299 1328807792 /nfs/dbraw/zinc/80/77/92/1328807792.db2.gz GFNGPMOBYOOQPN-HOCLYGCPSA-N 0 0 339.277 3.323 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@]2(C)Br)cc1 ZINC000858604300 1328808161 /nfs/dbraw/zinc/80/81/61/1328808161.db2.gz GFNGPMOBYOOQPN-ZBFHGGJFSA-N 0 0 339.277 3.323 10 10 EGCERN CCC(O)(CC)C(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000913770675 1319121391 /nfs/dbraw/zinc/12/13/91/1319121391.db2.gz YEKUGIKZZHOXIC-UHFFFAOYSA-N 0 0 337.441 3.372 10 10 EGCERN Cc1c(C)n(C)c2ccc(OS(=O)(=O)[C@@H]3COC(C)(C)C3)cc12 ZINC000859194712 1328942913 /nfs/dbraw/zinc/94/29/13/1328942913.db2.gz HNGCQRSHNZNRAI-AWEZNQCLSA-N 0 0 337.441 3.071 10 10 EGCERN Cc1csc([C@H](NC(=O)NCc2c(O)cccc2F)C2CC2)n1 ZINC000920494038 1322184963 /nfs/dbraw/zinc/18/49/63/1322184963.db2.gz AKZFLMIWVCIKFI-CQSZACIVSA-N 0 0 335.404 3.247 10 10 EGCERN C[C@@H](NC(=O)CSC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000920881819 1322230524 /nfs/dbraw/zinc/23/05/24/1322230524.db2.gz QEOSQUFOKXWILZ-CQSZACIVSA-N 0 0 336.501 3.232 10 10 EGCERN COC[C@@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C ZINC000922599068 1322566994 /nfs/dbraw/zinc/56/69/94/1322566994.db2.gz DCNVLEMJHOTCDK-AWEZNQCLSA-N 0 0 348.468 3.392 10 10 EGCERN O=C(NCc1c(O)cccc1F)NC1CCC2(CC2(F)F)CC1 ZINC000923313257 1322731289 /nfs/dbraw/zinc/73/12/89/1322731289.db2.gz RGGQZRSYFKWZND-UHFFFAOYSA-N 0 0 328.334 3.299 10 10 EGCERN CN(C[C@@H](O)COc1c(Cl)cccc1Cl)c1ccc(N)cc1 ZINC000923399543 1322745697 /nfs/dbraw/zinc/74/56/97/1322745697.db2.gz FCTUGYCWEHNJAW-CYBMUJFWSA-N 0 0 341.238 3.452 10 10 EGCERN COc1ccc([C@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)cc1F ZINC000859697221 1329057542 /nfs/dbraw/zinc/05/75/42/1329057542.db2.gz ABEJHCNSNYVNIU-ZDUSSCGKSA-N 0 0 329.375 3.438 10 10 EGCERN CC[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000926983104 1327807602 /nfs/dbraw/zinc/80/76/02/1327807602.db2.gz VCZWJDBSWLJDIB-CABZTGNLSA-N 0 0 331.243 3.266 10 10 EGCERN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000927015533 1327821432 /nfs/dbraw/zinc/82/14/32/1327821432.db2.gz RBIGHCQBXSJSBJ-YPMHNXCESA-N 0 0 327.371 3.049 10 10 EGCERN Cc1ccc(O)c(CNC(=O)Nc2nnc(CCC(C)C)s2)c1 ZINC000861203593 1329397244 /nfs/dbraw/zinc/39/72/44/1329397244.db2.gz DBBRKXPAXQZUJE-UHFFFAOYSA-N 0 0 334.445 3.462 10 10 EGCERN CCCc1c(C(=O)NCc2c(O)cccc2F)[nH]c(C)c1C(C)=O ZINC000928711533 1328407069 /nfs/dbraw/zinc/40/70/69/1328407069.db2.gz ILMSAUSADDBWIM-UHFFFAOYSA-N 0 0 332.375 3.253 10 10 EGCERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC000928712015 1328407267 /nfs/dbraw/zinc/40/72/67/1328407267.db2.gz NCNAWNUYAXTUBS-FZMZJTMJSA-N 0 0 342.370 3.056 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(C)(F)C2)cc1 ZINC000861434858 1329417858 /nfs/dbraw/zinc/41/78/58/1329417858.db2.gz VPKIHFCKTBBCJI-UHFFFAOYSA-N 0 0 328.387 3.020 10 10 EGCERN CC[C@@H](C)c1cccc(NC(=O)C(=O)NCCc2ccc(N)cc2)c1 ZINC000861503844 1329422689 /nfs/dbraw/zinc/42/26/89/1329422689.db2.gz OMUWZUBXRGIADQ-CQSZACIVSA-N 0 0 339.439 3.080 10 10 EGCERN Cc1cccc([C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C(C)C)c1 ZINC000861524288 1329424145 /nfs/dbraw/zinc/42/41/45/1329424145.db2.gz ARQSYCYZMUOOOQ-QGZVFWFLSA-N 0 0 325.412 3.029 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)Nc2cc(OC)cnc2F)cc1 ZINC000861591665 1329428914 /nfs/dbraw/zinc/42/89/14/1329428914.db2.gz BECMTKHQXBZOKR-UHFFFAOYSA-N 0 0 346.406 3.397 10 10 EGCERN CC[C@H](C)c1cccc(NC(=O)C(=O)NCc2ccccc2O)c1 ZINC000861730993 1329438139 /nfs/dbraw/zinc/43/81/39/1329438139.db2.gz OQEDSIKVUZHOBF-ZDUSSCGKSA-N 0 0 326.396 3.161 10 10 EGCERN O=C(CCCC1CCOCC1)NCc1ccc2cccnc2c1O ZINC000862026428 1329455864 /nfs/dbraw/zinc/45/58/64/1329455864.db2.gz OCJVVHYQGXUAHZ-UHFFFAOYSA-N 0 0 328.412 3.154 10 10 EGCERN C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc2cccnc2c1O ZINC000862027763 1329456010 /nfs/dbraw/zinc/45/60/10/1329456010.db2.gz DXHGNMPWUQMKDA-CZUORRHYSA-N 0 0 328.412 3.152 10 10 EGCERN CCOCCC1(C(=O)NCc2ccc3cccnc3c2O)CCC1 ZINC000862027567 1329456094 /nfs/dbraw/zinc/45/60/94/1329456094.db2.gz XDUAKUKNWFUMET-UHFFFAOYSA-N 0 0 328.412 3.154 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 ZINC000862759713 1329507372 /nfs/dbraw/zinc/50/73/72/1329507372.db2.gz JUVAUXGCBZPZKC-CXAGYDPISA-N 0 0 338.407 3.225 10 10 EGCERN CCOC(CC(=O)NCc1cc(C)n(-c2ccccc2)c1C)OCC ZINC000863164902 1329531485 /nfs/dbraw/zinc/53/14/85/1329531485.db2.gz WMBSXLCDMBSHMB-UHFFFAOYSA-N 0 0 344.455 3.500 10 10 EGCERN CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000863542017 1329561817 /nfs/dbraw/zinc/56/18/17/1329561817.db2.gz DGIHAHIJCXHNDT-OXHMUOHRSA-N 0 0 331.229 3.085 10 10 EGCERN CN(Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(N)cc1 ZINC000863558746 1329563039 /nfs/dbraw/zinc/56/30/39/1329563039.db2.gz VGSSEDOXSHYYJF-UHFFFAOYSA-N 0 0 326.425 3.104 10 10 EGCERN COc1ccc([C@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)cc1F ZINC000863694370 1329575892 /nfs/dbraw/zinc/57/58/92/1329575892.db2.gz LDWLWDHDUHIWGM-ZDUSSCGKSA-N 0 0 345.370 3.184 10 10 EGCERN CCCN(CCC)c1ccc(C[NH2+][C@H](C(=O)[O-])[C@@H]2CCCO2)cc1 ZINC000864519682 1329621819 /nfs/dbraw/zinc/62/18/19/1329621819.db2.gz VRACBNCWPSWNRB-ROUUACIJSA-N 0 0 334.460 3.035 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000864927671 1329652394 /nfs/dbraw/zinc/65/23/94/1329652394.db2.gz YBHMFFWGTWPKEA-RBUKOAKNSA-N 0 0 330.472 3.212 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@]34C[C@H]3CCCC4)CC2)cc1 ZINC000865115139 1329670368 /nfs/dbraw/zinc/67/03/68/1329670368.db2.gz DRSZDECWZHAPCZ-FOIQADDNSA-N 0 0 328.456 3.361 10 10 EGCERN CC(=O)c1cccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000865469253 1329701761 /nfs/dbraw/zinc/70/17/61/1329701761.db2.gz LZVIZZIYUCMOPO-CQSZACIVSA-N 0 0 325.412 3.294 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865780511 1329737897 /nfs/dbraw/zinc/73/78/97/1329737897.db2.gz LTETYKUMOYMMQG-CYBMUJFWSA-N 0 0 346.254 3.374 10 10 EGCERN CCO[C@@H](C(=O)NCCCSc1nccs1)C1CCCC1 ZINC000865785770 1329738428 /nfs/dbraw/zinc/73/84/28/1329738428.db2.gz SZUXFMYZWKRCBS-CYBMUJFWSA-N 0 0 328.503 3.337 10 10 EGCERN F[C@@H]1COc2ccccc2[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000866240957 1330084129 /nfs/dbraw/zinc/08/41/29/1330084129.db2.gz RQTXSCVDWOYSJS-UYAOXDASSA-N 0 0 342.414 3.085 10 10 EGCERN C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866479374 1330117508 /nfs/dbraw/zinc/11/75/08/1330117508.db2.gz STVQNHCYOABTTG-GFCCVEGCSA-N 0 0 328.368 3.224 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)c1cc2c(cccc2C2CC2)[nH]1 ZINC000866757188 1330147352 /nfs/dbraw/zinc/14/73/52/1330147352.db2.gz LWHCFDNMPLHECA-UHFFFAOYSA-N 0 0 336.391 3.429 10 10 EGCERN O=C(C1CC2(CSC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866897966 1330155573 /nfs/dbraw/zinc/15/55/73/1330155573.db2.gz NDSOPJLHIGJIIX-MRXNPFEDSA-N 0 0 347.480 3.043 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCC12CC2 ZINC000868117675 1330251259 /nfs/dbraw/zinc/25/12/59/1330251259.db2.gz XFCCGIUHNVMHFU-QGZVFWFLSA-N 0 0 345.512 3.372 10 10 EGCERN COc1cccc(O[C@@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868318742 1330270121 /nfs/dbraw/zinc/27/01/21/1330270121.db2.gz JEBQFFDXWGOHLZ-KBPBESRZSA-N 0 0 344.411 3.229 10 10 EGCERN C[C@@H](NC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccccc1O ZINC000868675130 1330312494 /nfs/dbraw/zinc/31/24/94/1330312494.db2.gz ARXJAUUGLVJCJO-DDUZABMNSA-N 0 0 341.411 3.068 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)c1ccncc1 ZINC000868890314 1330367998 /nfs/dbraw/zinc/36/79/98/1330367998.db2.gz QTMNVKYZMXWISF-HZPDHXFCSA-N 0 0 325.456 3.307 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000869147073 1330424962 /nfs/dbraw/zinc/42/49/62/1330424962.db2.gz NWMJSGDRIKPRNS-FUNVUKJBSA-N 0 0 335.831 3.447 10 10 EGCERN CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001324702564 1387743806 /nfs/dbraw/zinc/74/38/06/1387743806.db2.gz LTYWUVFSPNEMRO-DVOMOZLQSA-N 0 0 338.398 3.419 10 10 EGCERN COC(=O)c1cc(OCc2csc([N+](=O)[O-])c2)ccc1N(C)C ZINC001189977433 1367145266 /nfs/dbraw/zinc/14/52/66/1367145266.db2.gz ONEQJYZXRBMFKJ-UHFFFAOYSA-N 0 0 336.369 3.088 10 10 EGCERN COc1ccc(C[C@@H](C)N(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001116501655 1370924981 /nfs/dbraw/zinc/92/49/81/1370924981.db2.gz FCTOTBKVBHAMSX-SMJHDNPOSA-N 0 0 341.407 3.209 10 10 EGCERN O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[C@H](F)C1 ZINC001118093123 1371130761 /nfs/dbraw/zinc/13/07/61/1371130761.db2.gz MUAJGMOABAUQLQ-KOLCDFICSA-N 0 0 330.197 3.299 10 10 EGCERN C[C@H](NC(=O)NC[C@@H]1OCc2ccccc21)c1ccc(N(C)C)cc1 ZINC001123529395 1372496170 /nfs/dbraw/zinc/49/61/70/1372496170.db2.gz OPGFBFMKRHTRIZ-LIRRHRJNSA-N 0 0 339.439 3.384 10 10 EGCERN CCc1ccccc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001130547086 1373558502 /nfs/dbraw/zinc/55/85/02/1373558502.db2.gz CZCGIZHQLVGNJB-UHFFFAOYSA-N 0 0 326.440 3.466 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC001130748898 1373587405 /nfs/dbraw/zinc/58/74/05/1373587405.db2.gz YYZAFTSUKZAYAV-BJWYYQGGSA-N 0 0 330.472 3.416 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4ncccc4c3)C2)cc1 ZINC001130826891 1373596372 /nfs/dbraw/zinc/59/63/72/1373596372.db2.gz MCSJMOJEIBDCCZ-QGZVFWFLSA-N 0 0 347.418 3.252 10 10 EGCERN Cn1nc(C2CC2)cc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001326694320 1388284134 /nfs/dbraw/zinc/28/41/34/1388284134.db2.gz NSGHHNQRQPRHKY-UHFFFAOYSA-N 0 0 339.443 3.219 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1 ZINC001136241371 1377367888 /nfs/dbraw/zinc/36/78/88/1377367888.db2.gz NPFXXQWEFORKDG-UHFFFAOYSA-N 0 0 334.339 3.287 10 10 EGCERN CN(Cc1ccccc1O)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001137345724 1377527815 /nfs/dbraw/zinc/52/78/15/1377527815.db2.gz UVSQAYTWRSLDOY-UHFFFAOYSA-N 0 0 332.331 3.031 10 10 EGCERN O=C(NCC1(c2ccccn2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC001137807682 1377619872 /nfs/dbraw/zinc/61/98/72/1377619872.db2.gz IXDAPTFPVYZBNN-UHFFFAOYSA-N 0 0 340.404 3.169 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(C(F)(F)F)[nH]c1=O ZINC001146231880 1378800157 /nfs/dbraw/zinc/80/01/57/1378800157.db2.gz IUPUAHQEKMKEJQ-UHFFFAOYSA-N 0 0 346.692 3.095 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCC[C@H](CCF)C2)cc1F ZINC001327697542 1388587739 /nfs/dbraw/zinc/58/77/39/1388587739.db2.gz HASLUBCWOOCDTL-CYBMUJFWSA-N 0 0 325.403 3.173 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)c1cc2sccc2nc1Cl ZINC001150377002 1379542438 /nfs/dbraw/zinc/54/24/38/1379542438.db2.gz FUHVAZQDTCOHSH-UHFFFAOYSA-N 0 0 334.784 3.291 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ocnc1-c1ccccc1 ZINC001154026098 1380183733 /nfs/dbraw/zinc/18/37/33/1380183733.db2.gz LLTSFDYQVRYQLI-GFCCVEGCSA-N 0 0 338.363 3.114 10 10 EGCERN COC(C)(C)[C@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001156344476 1380562394 /nfs/dbraw/zinc/56/23/94/1380562394.db2.gz LUXOIUVVZJDBQX-HNNXBMFYSA-N 0 0 342.439 3.450 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)(C)C3(C)C)C2)cc1 ZINC001328087265 1388667562 /nfs/dbraw/zinc/66/75/62/1388667562.db2.gz WBLBWZCREPITBT-CQSZACIVSA-N 0 0 331.460 3.104 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](CO)C(C)C ZINC001157034578 1380755171 /nfs/dbraw/zinc/75/51/71/1380755171.db2.gz PAKPFGQUMXQNTR-KRWDZBQOSA-N 0 0 328.456 3.397 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(F)c(F)cc(F)c1F ZINC001157102957 1380775982 /nfs/dbraw/zinc/77/59/82/1380775982.db2.gz SVPXAQJDMOMEEW-UHFFFAOYSA-N 0 0 348.292 3.364 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC001328250639 1388699726 /nfs/dbraw/zinc/69/97/26/1388699726.db2.gz OSPJXKSUVRHOCA-KFKAGJAMSA-N 0 0 328.456 3.170 10 10 EGCERN Cn1nc(Cl)c(C(=O)NCc2cccc(Cl)c2O)c1Cl ZINC001159041700 1381537442 /nfs/dbraw/zinc/53/74/42/1381537442.db2.gz YTJKIZUORJJLNP-UHFFFAOYSA-N 0 0 334.590 3.016 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@]1(O)CCC[C@H]1C ZINC001159723636 1381880542 /nfs/dbraw/zinc/88/05/42/1381880542.db2.gz SXUWNHMVJWUWTJ-XIKOKIGWSA-N 0 0 332.469 3.437 10 10 EGCERN Cc1cccc(OCCCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001290363657 1382084724 /nfs/dbraw/zinc/08/47/24/1382084724.db2.gz RWFNRXPTZXUXAH-UHFFFAOYSA-N 0 0 340.383 3.356 10 10 EGCERN COc1cc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)ccc1C ZINC001293784235 1382358522 /nfs/dbraw/zinc/35/85/22/1382358522.db2.gz NCCADXWODGLHNL-UHFFFAOYSA-N 0 0 340.383 3.139 10 10 EGCERN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccc1O ZINC001162109315 1382630532 /nfs/dbraw/zinc/63/05/32/1382630532.db2.gz ZUEKSMDVLDZYKQ-HNNXBMFYSA-N 0 0 326.440 3.436 10 10 EGCERN CCc1ccc(-c2cc(C(=O)NCc3ccc(O)cc3O)no2)cc1 ZINC001162279145 1382719014 /nfs/dbraw/zinc/71/90/14/1382719014.db2.gz SDVCEEZDHMSXOU-UHFFFAOYSA-N 0 0 338.363 3.245 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](CO)c1cccnc1 ZINC001162286471 1382721371 /nfs/dbraw/zinc/72/13/71/1382721371.db2.gz VBHLYHKDDZWFST-IBGZPJMESA-N 0 0 349.434 3.261 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)[C@H](C(=O)OCC)C(C)C ZINC001297006078 1383104680 /nfs/dbraw/zinc/10/46/80/1383104680.db2.gz RTUBHLJLKGJNMO-QGZVFWFLSA-N 0 0 335.444 3.356 10 10 EGCERN COc1c(C)cccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001163987132 1383143387 /nfs/dbraw/zinc/14/33/87/1383143387.db2.gz BRBVXIDNEIJFSD-UHFFFAOYSA-N 0 0 326.356 3.096 10 10 EGCERN O=[N+]([O-])c1cnc(NCc2c(O)cccc2F)c(C(F)(F)F)c1 ZINC001164185600 1383164198 /nfs/dbraw/zinc/16/41/98/1383164198.db2.gz NBXNGNYOUCRIPE-UHFFFAOYSA-N 0 0 331.225 3.465 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001297562696 1383185430 /nfs/dbraw/zinc/18/54/30/1383185430.db2.gz PDULSSRVVQWSSW-CYBMUJFWSA-N 0 0 349.427 3.380 10 10 EGCERN Cc1ccc(O)c(CNC(=O)C2=C(c3ccccc3)SCCO2)c1 ZINC001167293908 1383586872 /nfs/dbraw/zinc/58/68/72/1383586872.db2.gz UFMWESKIPJVLAY-UHFFFAOYSA-N 0 0 341.432 3.449 10 10 EGCERN COc1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[nH]n1 ZINC001300888500 1383683731 /nfs/dbraw/zinc/68/37/31/1383683731.db2.gz JOJKLXDUXAOLPX-UHFFFAOYSA-N 0 0 328.347 3.217 10 10 EGCERN CCCCNc1nc(CC(=O)N[C@H](C)c2ccccc2O)cs1 ZINC001302532570 1383757051 /nfs/dbraw/zinc/75/70/51/1383757051.db2.gz JJSHABZNFUYFAU-GFCCVEGCSA-N 0 0 333.457 3.481 10 10 EGCERN C[C@H](NC(=O)c1cccc(Br)c1N)c1ccccc1O ZINC001302538647 1383757569 /nfs/dbraw/zinc/75/75/69/1383757569.db2.gz XYTODLMLYLVJJY-VIFPVBQESA-N 0 0 335.201 3.228 10 10 EGCERN CC(C)(C)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1[N+](=O)[O-] ZINC001303223610 1383788043 /nfs/dbraw/zinc/78/80/43/1383788043.db2.gz XFJBYRHBGNWFOA-UHFFFAOYSA-N 0 0 344.367 3.234 10 10 EGCERN C[C@H]1C[C@H]1N(CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC001307838298 1384039922 /nfs/dbraw/zinc/03/99/22/1384039922.db2.gz TUABEGSCRXXHBZ-OXJNMPFZSA-N 0 0 337.467 3.284 10 10 EGCERN C[C@H](NC(=O)c1cnc(Oc2ccccc2)cn1)c1ccccc1O ZINC001171730910 1384617014 /nfs/dbraw/zinc/61/70/14/1384617014.db2.gz RDBSKZNWMOKECY-ZDUSSCGKSA-N 0 0 335.363 3.466 10 10 EGCERN C[C@H]1CN(c2ccc(CNC(=O)C3(C)CC=CC3)cc2F)C[C@H](C)O1 ZINC001335926088 1388968919 /nfs/dbraw/zinc/96/89/19/1388968919.db2.gz VYWUQBQMWZUVRZ-GJZGRUSLSA-N 0 0 346.446 3.412 10 10 EGCERN c1nnc(CNCc2ccc(N3CCCC3)cc2)n1-c1ccccc1 ZINC001177226616 1385875209 /nfs/dbraw/zinc/87/52/09/1385875209.db2.gz RNMAWXKKGPXCBY-UHFFFAOYSA-N 0 0 333.439 3.157 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001178413471 1386210337 /nfs/dbraw/zinc/21/03/37/1386210337.db2.gz SLPZCWIOVCRDHV-UHFFFAOYSA-N 0 0 342.685 3.162 10 10 EGCERN O=C(C[C@@H](O)c1cccc(F)c1)NCc1c(O)ccc2ccccc21 ZINC001179032420 1386383115 /nfs/dbraw/zinc/38/31/15/1386383115.db2.gz GISUOPZPPOQJFU-LJQANCHMSA-N 0 0 339.366 3.424 10 10 EGCERN Cc1nn(CC(F)F)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179036562 1386384522 /nfs/dbraw/zinc/38/45/22/1386384522.db2.gz HFCDPMOXUSVKMG-UHFFFAOYSA-N 0 0 345.349 3.245 10 10 EGCERN Cc1cc(C(=O)NC(C)(C)c2ncon2)c(C)n1-c1ccccc1C ZINC001179110785 1386402762 /nfs/dbraw/zinc/40/27/62/1386402762.db2.gz XPJCQPWZJDHHJU-UHFFFAOYSA-N 0 0 338.411 3.451 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C(C)C)C1CC1 ZINC001330716523 1389508134 /nfs/dbraw/zinc/50/81/34/1389508134.db2.gz BICZODGSHDZARF-GOSISDBHSA-N 0 0 346.471 3.072 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2[C@H]2CCCOC2)cc1 ZINC001347291118 1391048744 /nfs/dbraw/zinc/04/87/44/1391048744.db2.gz TXFXCYCNPAGWDX-HKUYNNGSSA-N 0 0 345.487 3.243 10 10 EGCERN Cc1cccc(CO[C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001348912238 1391283439 /nfs/dbraw/zinc/28/34/39/1391283439.db2.gz VQMCMSFEZQSQHU-INIZCTEOSA-N 0 0 326.440 3.283 10 10 EGCERN CC(C)c1nn(C)cc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349116578 1391303881 /nfs/dbraw/zinc/30/38/81/1391303881.db2.gz BMPUPVZXVOQTCC-UHFFFAOYSA-N 0 0 340.471 3.416 10 10 EGCERN CCOC1CC2(C[C@@H]2C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001351178906 1391607423 /nfs/dbraw/zinc/60/74/23/1391607423.db2.gz USYFDQDZHOVFPH-OBXNSHGQSA-N 0 0 342.483 3.450 10 10 EGCERN Cc1ccc2[nH]cc(CCNC(=O)N3Cc4cccc(O)c4C3)c2c1 ZINC001351688674 1391670602 /nfs/dbraw/zinc/67/06/02/1391670602.db2.gz DWEDFDQPURQZAH-UHFFFAOYSA-N 0 0 335.407 3.450 10 10 EGCERN O=C(NCc1noc2ccccc21)NCc1cccc(Cl)c1O ZINC001687570101 1396412068 /nfs/dbraw/zinc/41/20/68/1396412068.db2.gz GBBFLAXEGBWCDL-UHFFFAOYSA-N 0 0 331.759 3.186 10 10 EGCERN COc1cccc(CNC(=O)N[C@H](Cc2ccccc2)C(C)C)c1O ZINC001687604969 1396420456 /nfs/dbraw/zinc/42/04/56/1396420456.db2.gz AVCHPYTZSPULEQ-QGZVFWFLSA-N 0 0 342.439 3.467 10 10 EGCERN CC[C@]1(C)CC[C@H](Cn2c(C)nnc2N(C)Cc2ccccc2O)O1 ZINC001497480731 1396764147 /nfs/dbraw/zinc/76/41/47/1396764147.db2.gz KSSJGJDIMZAKFB-VQIMIIECSA-N 0 0 344.459 3.276 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1Cc1c(C)coc1C ZINC001709038215 1417415817 /nfs/dbraw/zinc/41/58/17/1417415817.db2.gz FDKONGAHUAYWPE-UHFFFAOYSA-N 0 0 340.427 3.441 10 10 EGCERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1[C@H]1C[C@@H]1C ZINC001726354553 1427048087 /nfs/dbraw/zinc/04/80/87/1427048087.db2.gz JZXJYLBCKKMUIB-KSSFIOAISA-N 0 0 325.460 3.404 10 10 EGCERN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)CC ZINC001743567668 1439574163 /nfs/dbraw/zinc/57/41/63/1439574163.db2.gz UWVMRCOXOCOZAH-AUUYWEPGSA-N 0 0 346.475 3.295 10 10 EGCERN CC[C@H](Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C)OC ZINC001744193591 1439614966 /nfs/dbraw/zinc/61/49/66/1439614966.db2.gz VCTVLOXPZQONNR-OAHLLOKOSA-N 0 0 346.475 3.343 10 10 EGCERN C[C@@H]1C[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001752041292 1440134734 /nfs/dbraw/zinc/13/47/34/1440134734.db2.gz VYJJBQGXOKRQRO-PBHICJAKSA-N 0 0 349.438 3.338 10 10 EGCERN CCc1nnc(N2CCC=C(C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001764855287 1441393307 /nfs/dbraw/zinc/39/33/07/1441393307.db2.gz WBBCOJJUOHNOGB-UHFFFAOYSA-N 0 0 339.487 3.420 10 10 EGCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1CCC(C)C ZINC001767774571 1441405698 /nfs/dbraw/zinc/40/56/98/1441405698.db2.gz WDLOSAGVELVGMV-UHFFFAOYSA-N 0 0 332.448 3.203 10 10 EGCERN COc1cccc(-n2c(C)cc(C(=O)NC3CCOCC3)c2C)c1 ZINC000064997946 214822068 /nfs/dbraw/zinc/82/20/68/214822068.db2.gz UXTGPQRFKCJDMC-UHFFFAOYSA-N 0 0 328.412 3.012 10 10 EGCERN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cnn(C)c2)SC1=S ZINC000002787396 278310927 /nfs/dbraw/zinc/31/09/27/278310927.db2.gz BLLIELLGLFCNMZ-ZEVOCZHWSA-N 0 0 329.450 3.383 10 10 EGCERN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](c2ccccc2)O1 ZINC000180706339 455231456 /nfs/dbraw/zinc/23/14/56/455231456.db2.gz STHUUOCOYAICJC-YFZXRXBPSA-N 0 0 339.391 3.100 10 10 EGCERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173187118 455244406 /nfs/dbraw/zinc/24/44/06/455244406.db2.gz KDPMKVJVDJLGDN-UHFFFAOYSA-N 0 0 341.367 3.008 10 10 EGCERN Nc1ccc(CC(=O)N2CCC(CN3CCc4ccccc43)CC2)cc1 ZINC000238069732 455250799 /nfs/dbraw/zinc/25/07/99/455250799.db2.gz OBHMKIZHXNNAHJ-UHFFFAOYSA-N 0 0 349.478 3.113 10 10 EGCERN CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1sccc1C ZINC000012572586 453377287 /nfs/dbraw/zinc/37/72/87/453377287.db2.gz LPXXSNVVOXWCRZ-KAMYIIQDSA-N 0 0 340.404 3.406 10 10 EGCERN Cc1cc(C(=O)COC(=O)c2cccnc2N)c(C)n1-c1ccccc1 ZINC000024757907 453746412 /nfs/dbraw/zinc/74/64/12/453746412.db2.gz MLENYAGUXFSZEA-UHFFFAOYSA-N 0 0 349.390 3.111 10 10 EGCERN COC(=O)/C=C/c1ccc(N(C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066467621 453847647 /nfs/dbraw/zinc/84/76/47/453847647.db2.gz WUYNLWYJXZVTAI-FNORWQNLSA-N 0 0 347.396 3.182 10 10 EGCERN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130863169 454222415 /nfs/dbraw/zinc/22/24/15/454222415.db2.gz SKPWPLMZTTVAOV-CABCVRRESA-N 0 0 327.476 3.482 10 10 EGCERN CC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000130973510 454229612 /nfs/dbraw/zinc/22/96/12/454229612.db2.gz FTSRPTADTMFOEN-RHSMWYFYSA-N 0 0 327.476 3.482 10 10 EGCERN CN1CCCc2cc(CNC(=O)Cc3cnc4ccccc4c3)ccc21 ZINC000131404036 454251086 /nfs/dbraw/zinc/25/10/86/454251086.db2.gz JAVHCOBAAOZIPQ-UHFFFAOYSA-N 0 0 345.446 3.476 10 10 EGCERN CCOc1cccc(CN2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000093457758 454716974 /nfs/dbraw/zinc/71/69/74/454716974.db2.gz WAYSXCYWHGHIMW-GOSISDBHSA-N 0 0 329.396 3.070 10 10 EGCERN COc1cc(N(C)CC(=O)Nc2cccc(C)c2)cc(OC)c1OC ZINC000125708728 454840475 /nfs/dbraw/zinc/84/04/75/454840475.db2.gz SZXIFFRDRYPKKK-UHFFFAOYSA-N 0 0 344.411 3.096 10 10 EGCERN O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2[O-])CCN1 ZINC000179784274 455078612 /nfs/dbraw/zinc/07/86/12/455078612.db2.gz OBTIOBBULXRALS-INIZCTEOSA-N 0 0 330.815 3.109 10 10 EGCERN COc1ccc(O)c(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000179986136 455111088 /nfs/dbraw/zinc/11/10/88/455111088.db2.gz FVHTZAYUQWKXSR-MRXNPFEDSA-N 0 0 342.443 3.056 10 10 EGCERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1-n1cccn1 ZINC000181196591 455300755 /nfs/dbraw/zinc/30/07/55/455300755.db2.gz UDXLVVBGEWXSRJ-PLWJUESGSA-N 0 0 349.390 3.174 10 10 EGCERN COCC(=O)N1CCc2c1cccc2NCc1cccc(Cl)c1O ZINC000184131285 455355131 /nfs/dbraw/zinc/35/51/31/455355131.db2.gz FZQXWQQIGWJSBU-UHFFFAOYSA-N 0 0 346.814 3.193 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c1O ZINC000181927781 455400984 /nfs/dbraw/zinc/40/09/84/455400984.db2.gz HJIFGYNSMNOQFT-ACJLOTCBSA-N 0 0 340.423 3.442 10 10 EGCERN Cc1cc(-c2noc(CCC(=O)Nc3ccc(N)cc3)n2)ccc1F ZINC000160433876 455457833 /nfs/dbraw/zinc/45/78/33/455457833.db2.gz GOFUNUFHTCBTMR-UHFFFAOYSA-N 0 0 340.358 3.338 10 10 EGCERN C/C(=C\C(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000185059378 455493814 /nfs/dbraw/zinc/49/38/14/455493814.db2.gz SZMBESWNISBCBP-WYMLVPIESA-N 0 0 334.435 3.271 10 10 EGCERN Cc1nnc([C@H](N[C@H](C)c2ccc(F)cc2O)c2ccccc2)[nH]1 ZINC000185324384 455539962 /nfs/dbraw/zinc/53/99/62/455539962.db2.gz RXXJLWQCXVNJNG-PIGZYNQJSA-N 0 0 326.375 3.398 10 10 EGCERN Cc1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)c(O)c1O ZINC000182576744 455544371 /nfs/dbraw/zinc/54/43/71/455544371.db2.gz OVANRRZYBNMOQS-UHFFFAOYSA-N 0 0 333.428 3.218 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247282068 455583114 /nfs/dbraw/zinc/58/31/14/455583114.db2.gz YQHRCTSMHBSJDX-OLZOCXBDSA-N 0 0 334.268 3.405 10 10 EGCERN Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc(O)c3O)[C@H](C)CO2)c1 ZINC000185742912 455612163 /nfs/dbraw/zinc/61/21/63/455612163.db2.gz NWOJCPZIQQJOJY-RDTXWAMCSA-N 0 0 341.407 3.317 10 10 EGCERN COc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Cl ZINC000284268823 455660504 /nfs/dbraw/zinc/66/05/04/455660504.db2.gz MINFUMIVQMXTDK-UHFFFAOYSA-N 0 0 333.819 3.082 10 10 EGCERN CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCOCC2 ZINC000186455207 455772681 /nfs/dbraw/zinc/77/26/81/455772681.db2.gz NNBNDNHPXLDUNT-CABCVRRESA-N 0 0 325.836 3.109 10 10 EGCERN CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccnc1 ZINC000293518554 455788688 /nfs/dbraw/zinc/78/86/88/455788688.db2.gz ATRADJYIMRWDOV-MRXNPFEDSA-N 0 0 338.810 3.429 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000294315168 455811775 /nfs/dbraw/zinc/81/17/75/455811775.db2.gz QSNSCNQRZDYIMK-UHFFFAOYSA-N 0 0 340.748 3.301 10 10 EGCERN Cn1c(CN2CCCc3cc(OC(F)F)ccc32)nnc1C1CC1 ZINC000195106195 455922070 /nfs/dbraw/zinc/92/20/70/455922070.db2.gz NRGVIIKRAAKJPD-UHFFFAOYSA-N 0 0 334.370 3.247 10 10 EGCERN Cc1cc(C(=O)CN2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505307 455973947 /nfs/dbraw/zinc/97/39/47/455973947.db2.gz FFLHBCXNXUTSIG-JKSUJKDBSA-N 0 0 344.430 3.119 10 10 EGCERN Cc1nc(Cl)ccc1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000270671739 456011735 /nfs/dbraw/zinc/01/17/35/456011735.db2.gz WGMDTLCJMFRFFR-UHFFFAOYSA-N 0 0 331.847 3.311 10 10 EGCERN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(F)cc1[O-] ZINC000287276651 456065277 /nfs/dbraw/zinc/06/52/77/456065277.db2.gz CRZOYHNLRRBOAP-RPVQJOFSSA-N 0 0 337.435 3.140 10 10 EGCERN CC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(F)cc1[O-] ZINC000287567769 456072526 /nfs/dbraw/zinc/07/25/26/456072526.db2.gz QKYIMAOZAIEFMK-WBVHZDCISA-N 0 0 346.450 3.283 10 10 EGCERN CNC(=O)c1cccnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000301339540 456094084 /nfs/dbraw/zinc/09/40/84/456094084.db2.gz FJXBEHKTWXYTSU-UHFFFAOYSA-N 0 0 338.455 3.068 10 10 EGCERN Cc1ccc(O)c(CNc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c1 ZINC000288514292 456097869 /nfs/dbraw/zinc/09/78/69/456097869.db2.gz JAULQMWTBSHHCT-CYBMUJFWSA-N 0 0 339.395 3.066 10 10 EGCERN CN(Cc1ccc(Cl)cc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301618008 456163428 /nfs/dbraw/zinc/16/34/28/456163428.db2.gz WLLYJGWZKHFGHC-UHFFFAOYSA-N 0 0 347.758 3.216 10 10 EGCERN CC(C)C(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000236770793 456181785 /nfs/dbraw/zinc/18/17/85/456181785.db2.gz GWPZIZAYVZUZMM-UHFFFAOYSA-N 0 0 345.270 3.436 10 10 EGCERN Cc1cc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ncn1 ZINC000301856361 456233726 /nfs/dbraw/zinc/23/37/26/456233726.db2.gz RIBUAYHOFVFIJW-GOSISDBHSA-N 0 0 326.444 3.037 10 10 EGCERN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000290691213 456407010 /nfs/dbraw/zinc/40/70/10/456407010.db2.gz PVCJHLKZFWNQAB-CYBMUJFWSA-N 0 0 343.383 3.116 10 10 EGCERN COC[C@H]1CCCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000364156324 457503527 /nfs/dbraw/zinc/50/35/27/457503527.db2.gz PAIXAUONXAVKOT-HEWZJLJBSA-N 0 0 348.399 3.034 10 10 EGCERN COc1ccc(N2CCCN(C(=O)c3cc[nH]c3C3CC3)CC2)cc1 ZINC000367114608 457928446 /nfs/dbraw/zinc/92/84/46/457928446.db2.gz PMWYLHCOCNJPFU-UHFFFAOYSA-N 0 0 339.439 3.253 10 10 EGCERN CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1[O-] ZINC000367547750 457962305 /nfs/dbraw/zinc/96/23/05/457962305.db2.gz ACEHNXOPEAVWRP-DYVFJYSZSA-N 0 0 348.878 3.489 10 10 EGCERN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000367542804 457962459 /nfs/dbraw/zinc/96/24/59/457962459.db2.gz SQQRMJHFTZDEAO-IINYFYTJSA-N 0 0 343.254 3.190 10 10 EGCERN Cc1nc2c(s1)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CCC2 ZINC000367980806 458002251 /nfs/dbraw/zinc/00/22/51/458002251.db2.gz GXKVFVPZWIMQSE-STMXVASLSA-N 0 0 330.409 3.070 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCOC3(C)C)ccc21 ZINC000452476378 458501009 /nfs/dbraw/zinc/50/10/09/458501009.db2.gz OCGAINGQSZNTDJ-GOSISDBHSA-N 0 0 344.455 3.202 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@]1(C)Br ZINC000528822595 459814771 /nfs/dbraw/zinc/81/47/71/459814771.db2.gz CVMMEFXZTDAMQO-DOMZBBRYSA-N 0 0 326.234 3.304 10 10 EGCERN COc1cnc(NCc2ccc(N(C)C)cc2C(F)(F)F)nc1 ZINC000225429272 537126383 /nfs/dbraw/zinc/12/63/83/537126383.db2.gz CZTRMTSGXLJEOD-UHFFFAOYSA-N 0 0 326.322 3.182 10 10 EGCERN COc1ccc(N2CCCN(C(=O)C3(C(F)(F)F)CC3)CC2)cc1 ZINC000726144691 574543880 /nfs/dbraw/zinc/54/38/80/574543880.db2.gz URHHETSZFMCUGO-UHFFFAOYSA-N 0 0 342.361 3.076 10 10 EGCERN O=C(NCc1ccccc1O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000726235561 574546801 /nfs/dbraw/zinc/54/68/01/574546801.db2.gz CHXBMVMLBNBAMF-OAHLLOKOSA-N 0 0 330.359 3.244 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000732049230 575233770 /nfs/dbraw/zinc/23/37/70/575233770.db2.gz HNSRUKVLVKZTOI-HZRUHFOJSA-N 0 0 342.351 3.368 10 10 EGCERN COc1cccc(C[C@@H](C)NC(=O)N(C)Cc2ccccc2O)c1 ZINC000733042268 575303493 /nfs/dbraw/zinc/30/34/93/575303493.db2.gz JOBJJXNCERMWLR-CQSZACIVSA-N 0 0 328.412 3.173 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000733188986 575318682 /nfs/dbraw/zinc/31/86/82/575318682.db2.gz UUUCDIMKBFERMV-FNOHHLHBSA-N 0 0 341.367 3.373 10 10 EGCERN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)[nH]1 ZINC000735518692 575677521 /nfs/dbraw/zinc/67/75/21/575677521.db2.gz JJUUCGRDXUMXAI-MRXNPFEDSA-N 0 0 328.412 3.159 10 10 EGCERN O=S(=O)(Nc1ccc(O)c(F)c1)c1cccc(Br)c1 ZINC000085200952 1292719095 /nfs/dbraw/zinc/71/90/95/1292719095.db2.gz AZIMOYRZKKKIKI-UHFFFAOYSA-N 0 0 346.177 3.095 10 10 EGCERN O=C(NCCCSc1nccs1)C(=O)c1ccc2c(c1)CCC2 ZINC000114374216 1293164549 /nfs/dbraw/zinc/16/45/49/1293164549.db2.gz PDAZFYCSHLXUQE-UHFFFAOYSA-N 0 0 346.477 3.113 10 10 EGCERN C/C(=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000183460692 1295122359 /nfs/dbraw/zinc/12/23/59/1295122359.db2.gz JDZPBARHIPLBJO-YQCJOKCJSA-N 0 0 329.371 3.388 10 10 EGCERN CO[C@H]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000188281749 1295448209 /nfs/dbraw/zinc/44/82/09/1295448209.db2.gz VYVHQEBOXLQGAN-WMZOPIPTSA-N 0 0 337.423 3.263 10 10 EGCERN CCCOc1ccc(OCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199954 1296269791 /nfs/dbraw/zinc/26/97/91/1296269791.db2.gz WOEGTBPTJXVMEY-UHFFFAOYSA-N 0 0 327.380 3.102 10 10 EGCERN COc1ccc(C(=O)C[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204686 1296270776 /nfs/dbraw/zinc/27/07/76/1296270776.db2.gz PDBRBSUOHJTINY-CYBMUJFWSA-N 0 0 339.391 3.152 10 10 EGCERN O=C(C[C@H]1CSc2ccccc2O1)N1Cc2cccc(O)c2C1 ZINC000871206132 1296272795 /nfs/dbraw/zinc/27/27/95/1296272795.db2.gz SOEAEZZPHRFGME-ZDUSSCGKSA-N 0 0 327.405 3.178 10 10 EGCERN CC(C)(C)OC(=O)[C@H](C(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000871205909 1296272954 /nfs/dbraw/zinc/27/29/54/1296272954.db2.gz NQLXOTAYGUEZBJ-HNNXBMFYSA-N 0 0 333.428 3.238 10 10 EGCERN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000880750327 1301255549 /nfs/dbraw/zinc/25/55/49/1301255549.db2.gz JYHIICUEZKVWQO-DYESRHJHSA-N 0 0 344.499 3.480 10 10 EGCERN C[C@@H]1CO[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC000888811294 1304285085 /nfs/dbraw/zinc/28/50/85/1304285085.db2.gz NEPUYAGLQRHFQN-WFASDCNBSA-N 0 0 344.377 3.069 10 10 EGCERN COc1cc(C)cc(CNc2ccc(C)c(S(C)(=O)=O)c2)c1O ZINC000894425538 1308872616 /nfs/dbraw/zinc/87/26/16/1308872616.db2.gz XMXPCVCSOKVXED-UHFFFAOYSA-N 0 0 335.425 3.033 10 10 EGCERN COC(=O)c1cnc(CN(C)c2ccc(OC)c(Cl)c2)s1 ZINC000894429320 1308876424 /nfs/dbraw/zinc/87/64/24/1308876424.db2.gz FRXVZERPCYPKKJ-UHFFFAOYSA-N 0 0 326.805 3.228 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](c3nccs3)C2)c1[O-] ZINC000895585126 1309415229 /nfs/dbraw/zinc/41/52/29/1309415229.db2.gz WNBMQXMUGBVNTF-VIFPVBQESA-N 0 0 339.804 3.400 10 10 EGCERN CCO[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000896665356 1309966163 /nfs/dbraw/zinc/96/61/63/1309966163.db2.gz LGSADTDMNZILML-HZPDHXFCSA-N 0 0 347.436 3.390 10 10 EGCERN CC(C)C[C@H](CCO)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896787825 1310014160 /nfs/dbraw/zinc/01/41/60/1310014160.db2.gz OCZINDYZKRKEPE-NSHDSACASA-N 0 0 337.441 3.087 10 10 EGCERN O=C(N[C@@H](CCO)C1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897226149 1310229596 /nfs/dbraw/zinc/22/95/96/1310229596.db2.gz SWOBMOZRWXAIAE-ZDUSSCGKSA-N 0 0 349.452 3.374 10 10 EGCERN O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000897777984 1310465037 /nfs/dbraw/zinc/46/50/37/1310465037.db2.gz VPVZAFCJSGCUIW-LBPRGKRZSA-N 0 0 331.315 3.383 10 10 EGCERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC2(CCC2)O1 ZINC000898105798 1310593170 /nfs/dbraw/zinc/59/31/70/1310593170.db2.gz JWSFFBKHZRBLOP-SNVBAGLBSA-N 0 0 333.409 3.096 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@]2(CC2(F)F)C1 ZINC000898296475 1310665242 /nfs/dbraw/zinc/66/52/42/1310665242.db2.gz JFPUFLCWWMWTAP-AWEZNQCLSA-N 0 0 325.336 3.184 10 10 EGCERN CC[C@H](COCC1CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898582889 1310795841 /nfs/dbraw/zinc/79/58/41/1310795841.db2.gz QZHAJSCQMDRMMR-GFCCVEGCSA-N 0 0 335.425 3.248 10 10 EGCERN CO[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000857578784 1328552682 /nfs/dbraw/zinc/55/26/82/1328552682.db2.gz PXMJBBTXCCYONO-GXTWGEPZSA-N 0 0 349.386 3.216 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[nH]c3c2COCC3)cc1 ZINC000899259890 1316980308 /nfs/dbraw/zinc/98/03/08/1316980308.db2.gz UKKADFJAKDXAJE-UHFFFAOYSA-N 0 0 336.395 3.142 10 10 EGCERN COc1ccc(CCNC(=O)NCc2cc(C)ccc2O)c(Cl)c1 ZINC000858297820 1328731906 /nfs/dbraw/zinc/73/19/06/1328731906.db2.gz JBXXTYXLTYZDBK-UHFFFAOYSA-N 0 0 348.830 3.405 10 10 EGCERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCOc3ccccc32)C1 ZINC000858423127 1328758366 /nfs/dbraw/zinc/75/83/66/1328758366.db2.gz YFFXNPRHLDJJIC-CQSZACIVSA-N 0 0 344.411 3.026 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)NC1([C@H]2CCCCO2)CC1 ZINC000914180786 1319259009 /nfs/dbraw/zinc/25/90/09/1319259009.db2.gz WPECLUSKFCJNJJ-GOSISDBHSA-N 0 0 343.471 3.188 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCC34CC4)CC2)cc1 ZINC000858667159 1328824215 /nfs/dbraw/zinc/82/42/15/1328824215.db2.gz MXWZAFIPMBTUGC-SFHVURJKSA-N 0 0 328.456 3.314 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)N3CCO[C@H](C)CC3)cc2)CC1 ZINC000917522536 1319826875 /nfs/dbraw/zinc/82/68/75/1319826875.db2.gz JNCWJWBOPKEJHK-QGZVFWFLSA-N 0 0 345.487 3.243 10 10 EGCERN COc1ccccc1CN(Cc1ccc(N2CCOCC2)cc1)OC ZINC000930525604 1328885956 /nfs/dbraw/zinc/88/59/56/1328885956.db2.gz WXTLHHKSPRPJFE-UHFFFAOYSA-N 0 0 342.439 3.095 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858913066 1328890151 /nfs/dbraw/zinc/89/01/51/1328890151.db2.gz SJWBICILQTUZKR-IEBWSBKVSA-N 0 0 345.487 3.242 10 10 EGCERN CO[C@]1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CCSC1 ZINC000922571521 1322559814 /nfs/dbraw/zinc/55/98/14/1322559814.db2.gz CEPXWXWRPYCOIV-AWEZNQCLSA-N 0 0 346.290 3.075 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000922691213 1322591962 /nfs/dbraw/zinc/59/19/62/1322591962.db2.gz FPUAKXYDSYSFEM-JQWIXIFHSA-N 0 0 325.277 3.260 10 10 EGCERN Cc1csc(C[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000924349569 1322992494 /nfs/dbraw/zinc/99/24/94/1322992494.db2.gz SXCQMJXFRKZOCE-ZDUSSCGKSA-N 0 0 346.452 3.266 10 10 EGCERN CN1CCCc2cc(CNC(=O)[C@]34CCO[C@@H]3CCCC4)ccc21 ZINC000931152795 1329062167 /nfs/dbraw/zinc/06/21/67/1329062167.db2.gz ZGYIXVQYSLIXRN-UYAOXDASSA-N 0 0 328.456 3.035 10 10 EGCERN CO[C@H]1CCOc2c(NC(=O)N3Cc4cccc(O)c4C3)cccc21 ZINC000931160919 1329064209 /nfs/dbraw/zinc/06/42/09/1329064209.db2.gz XRCWYJZQYBBNKV-KRWDZBQOSA-N 0 0 340.379 3.410 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(C(C)C)c2Cl)c1 ZINC000860241271 1329181809 /nfs/dbraw/zinc/18/18/09/1329181809.db2.gz HBHIPLMMICHWCB-SNVBAGLBSA-N 0 0 337.807 3.323 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1[C@H]1CCCOC1 ZINC000928709686 1328406250 /nfs/dbraw/zinc/40/62/50/1328406250.db2.gz LCAMZARUWRVQDO-AWEZNQCLSA-N 0 0 346.402 3.231 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCOC2(C)C)c1 ZINC000861867727 1329446976 /nfs/dbraw/zinc/44/69/76/1329446976.db2.gz HECAPKDRCMNQCL-GOSISDBHSA-N 0 0 340.423 3.204 10 10 EGCERN COCc1ccc(NCc2cc(OC)c(OC)cc2O)cc1OC ZINC000862536313 1329493970 /nfs/dbraw/zinc/49/39/70/1329493970.db2.gz HCLYOZWRTOUTKI-UHFFFAOYSA-N 0 0 333.384 3.177 10 10 EGCERN COc1c([O-])c(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000862541080 1329494426 /nfs/dbraw/zinc/49/44/26/1329494426.db2.gz OZRCQDHWTCPIIH-ZDUSSCGKSA-N 0 0 344.367 3.004 10 10 EGCERN CN(C)c1ccc(CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)cc1 ZINC000863500148 1329559250 /nfs/dbraw/zinc/55/92/50/1329559250.db2.gz OIWQMZSTTVHPEI-LJQANCHMSA-N 0 0 329.444 3.143 10 10 EGCERN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000863939367 1329590230 /nfs/dbraw/zinc/59/02/30/1329590230.db2.gz WIWXBAKXZHNMGW-JOCQHMNTSA-N 0 0 339.407 3.341 10 10 EGCERN CCOC1CC2(C[C@H]2C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000865027189 1329662783 /nfs/dbraw/zinc/66/27/83/1329662783.db2.gz IYJXFHYWRXTDNO-FDYSRKEFSA-N 0 0 330.472 3.306 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)CC2)cc1 ZINC000865116491 1329670354 /nfs/dbraw/zinc/67/03/54/1329670354.db2.gz WZUHKELKIJNZQL-VUKOWNLVSA-N 0 0 328.456 3.072 10 10 EGCERN COC(=O)c1cc(OCc2cccc(NC(C)=O)c2)ccc1N(C)C ZINC000865396059 1329691355 /nfs/dbraw/zinc/69/13/55/1329691355.db2.gz IIXFZNOWXKDMRL-UHFFFAOYSA-N 0 0 342.395 3.077 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@]23CCC[C@H]2OCC3)cc1F ZINC000865637234 1329723635 /nfs/dbraw/zinc/72/36/35/1329723635.db2.gz XWCJCRDPVDMUFU-MJGOQNOKSA-N 0 0 334.435 3.247 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(=O)OCC)C1 ZINC000866598466 1330131687 /nfs/dbraw/zinc/13/16/87/1330131687.db2.gz DOMQTYBKBOJSRG-CABCVRRESA-N 0 0 333.428 3.110 10 10 EGCERN CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000866634782 1330136323 /nfs/dbraw/zinc/13/63/23/1330136323.db2.gz JACCAXAKFQGFSR-LPEHRKFASA-N 0 0 334.229 3.494 10 10 EGCERN O=C(CCc1ccc(F)c2c1CCCC2)NCc1ccc(O)c(O)c1 ZINC000866770169 1330147823 /nfs/dbraw/zinc/14/78/23/1330147823.db2.gz UDIUQAUOTZTGFC-UHFFFAOYSA-N 0 0 343.398 3.365 10 10 EGCERN Cc1cnc(F)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000866898774 1330155764 /nfs/dbraw/zinc/15/57/64/1330155764.db2.gz YFWSRPQYUZLFIA-OAHLLOKOSA-N 0 0 344.386 3.056 10 10 EGCERN CC(C)(C(=O)NCc1ccc(N)cc1)c1cccc(C(F)(F)F)n1 ZINC000868060747 1330244951 /nfs/dbraw/zinc/24/49/51/1330244951.db2.gz CLCRRMKHNHMKQG-UHFFFAOYSA-N 0 0 337.345 3.277 10 10 EGCERN C[C@H](NC(=O)NCc1ccc2c(c1)OCCCO2)c1ccccc1O ZINC000868201279 1330261671 /nfs/dbraw/zinc/26/16/71/1330261671.db2.gz VCHIBMFTSDSJHX-ZDUSSCGKSA-N 0 0 342.395 3.114 10 10 EGCERN COc1ccc2c(c1)OCC[C@H]2NC(=O)N[C@@H](C)c1ccccc1O ZINC000868313014 1330269386 /nfs/dbraw/zinc/26/93/86/1330269386.db2.gz XODYPJKKVDQXFJ-BLLLJJGKSA-N 0 0 342.395 3.285 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCCC34CC4)C2)cc1 ZINC000868720079 1330323603 /nfs/dbraw/zinc/32/36/03/1330323603.db2.gz GXBKVWNUCXMSFY-CRAIPNDOSA-N 0 0 343.471 3.153 10 10 EGCERN CN1CCCc2cc(CNC(=O)NCC[C@@H]3CCSC3)ccc21 ZINC000868833308 1330355804 /nfs/dbraw/zinc/35/58/04/1330355804.db2.gz ZUFKIIWNJDZQQB-CQSZACIVSA-N 0 0 333.501 3.011 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)C(C)(F)F)c1 ZINC000869068923 1330407727 /nfs/dbraw/zinc/40/77/27/1330407727.db2.gz XJQKVYNLHJPQIL-SNVBAGLBSA-N 0 0 330.375 3.442 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[C@@H](OC)C2)cc1 ZINC001324447512 1387624972 /nfs/dbraw/zinc/62/49/72/1387624972.db2.gz LQNNBZMNDZIRNX-FUHWJXTLSA-N 0 0 333.476 3.242 10 10 EGCERN CCOC(=O)[C@H]1c2ccoc2CCN1Cc1ccc(N(C)CC)cc1 ZINC001196125874 1368553937 /nfs/dbraw/zinc/55/39/37/1368553937.db2.gz SOWTVWOQXVXUGQ-LJQANCHMSA-N 0 0 342.439 3.398 10 10 EGCERN COc1ccc(C[C@H](C)N(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001116501653 1370925030 /nfs/dbraw/zinc/92/50/30/1370925030.db2.gz FCTOTBKVBHAMSX-JOHMGYAOSA-N 0 0 341.407 3.209 10 10 EGCERN C=Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001211573123 1372583534 /nfs/dbraw/zinc/58/35/34/1372583534.db2.gz SMYMCLKWYJEGRX-CQSZACIVSA-N 0 0 330.453 3.435 10 10 EGCERN CCCc1ccc(C(=O)CCC(=O)NCc2cccc(O)c2O)cc1 ZINC001123890551 1372618522 /nfs/dbraw/zinc/61/85/22/1372618522.db2.gz ZTEOATBWFFIPRE-UHFFFAOYSA-N 0 0 341.407 3.330 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(OC(C)(C)C)cn2)cc1F ZINC001125468880 1372792275 /nfs/dbraw/zinc/79/22/75/1372792275.db2.gz DQWLRZLJJLDRGG-UHFFFAOYSA-N 0 0 345.418 3.394 10 10 EGCERN O=C(Cc1ccc2c(c1)CCCO2)Nc1c2nonc2ccc1Cl ZINC001128704631 1373304158 /nfs/dbraw/zinc/30/41/58/1373304158.db2.gz SGACIXQTOUGUNL-UHFFFAOYSA-N 0 0 343.770 3.382 10 10 EGCERN C/C(=C\C(=O)N1CCCc2c(F)c(F)c(F)cc21)c1cnccn1 ZINC001128990827 1373331451 /nfs/dbraw/zinc/33/14/51/1373331451.db2.gz IJMBDMANLQACFU-JXMROGBWSA-N 0 0 333.313 3.277 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4cccnc4c3)C2)cc1 ZINC001131029565 1373627215 /nfs/dbraw/zinc/62/72/15/1373627215.db2.gz CMSAMKDSBBCYMP-QGZVFWFLSA-N 0 0 347.418 3.252 10 10 EGCERN COc1cccc(CNC(=O)NCc2cc(Cl)ccc2O)c1C ZINC001231344745 1376229118 /nfs/dbraw/zinc/22/91/18/1376229118.db2.gz MVAIYDJDZVWDSN-UHFFFAOYSA-N 0 0 334.803 3.362 10 10 EGCERN Cc1cc(CNC(=O)NC[C@](C)(O)C2CC2)c(C)n1-c1ccccc1 ZINC001234327230 1376811798 /nfs/dbraw/zinc/81/17/98/1376811798.db2.gz NXJITLAGGBWDGS-FQEVSTJZSA-N 0 0 341.455 3.054 10 10 EGCERN CCC/C=C/[C@@H](O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001135746553 1377200676 /nfs/dbraw/zinc/20/06/76/1377200676.db2.gz URQJPZODOSBCJA-MBNRZODZSA-N 0 0 330.472 3.353 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2c[nH]nc2c1 ZINC001136335918 1377378885 /nfs/dbraw/zinc/37/88/85/1377378885.db2.gz TUHLCPBZLYVKSM-UHFFFAOYSA-N 0 0 337.427 3.075 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC001136690187 1377415629 /nfs/dbraw/zinc/41/56/29/1377415629.db2.gz DXFKMAJJWUOPER-IBGZPJMESA-N 0 0 329.371 3.437 10 10 EGCERN CC[C@@H](COC)NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001136947101 1377444070 /nfs/dbraw/zinc/44/40/70/1377444070.db2.gz XFPQDZABKWNRIH-SFHVURJKSA-N 0 0 342.439 3.370 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cnn(-c2ccccc2)c1 ZINC001142728014 1378481615 /nfs/dbraw/zinc/48/16/15/1378481615.db2.gz KQLCWOXJIXFWFE-UHFFFAOYSA-N 0 0 344.374 3.056 10 10 EGCERN Cc1ccc(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)c(O)c1O ZINC001142860518 1378497510 /nfs/dbraw/zinc/49/75/10/1378497510.db2.gz FPPYYVNIVJMCMC-ZDUSSCGKSA-N 0 0 337.379 3.464 10 10 EGCERN CCc1ccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c(O)c1 ZINC001144868068 1378777765 /nfs/dbraw/zinc/77/77/65/1378777765.db2.gz LDDLBRMLJGCLCZ-UHFFFAOYSA-N 0 0 342.439 3.172 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC001146196402 1378793690 /nfs/dbraw/zinc/79/36/90/1378793690.db2.gz KUOSJJBAGXOYIW-UHFFFAOYSA-N 0 0 349.434 3.174 10 10 EGCERN CSc1ccc(/C=C\C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC001150488640 1379557393 /nfs/dbraw/zinc/55/73/93/1379557393.db2.gz TYHRCGYWJBSWTQ-UTCJRWHESA-N 0 0 335.450 3.253 10 10 EGCERN CCOc1ccc(Cl)cc1CCNC(=O)c1ccc(C)c(O)c1O ZINC001151206358 1379676474 /nfs/dbraw/zinc/67/64/74/1379676474.db2.gz GSLRIKSGIDIVOQ-UHFFFAOYSA-N 0 0 349.814 3.431 10 10 EGCERN CC(C)Cn1ncc(NC(=O)Cc2ccc(O)c(O)c2)c1C(C)C ZINC001151375138 1379707773 /nfs/dbraw/zinc/70/77/73/1379707773.db2.gz AHRKBPLZNJPALV-UHFFFAOYSA-N 0 0 331.416 3.255 10 10 EGCERN Cn1ccc([C@H](NC(=O)C2=CC(=O)CS2)c2ccc(Cl)cc2)n1 ZINC001153788795 1380130290 /nfs/dbraw/zinc/13/02/90/1380130290.db2.gz YLCZNWVIDQWRPN-OAHLLOKOSA-N 0 0 347.827 3.360 10 10 EGCERN O=C(Cc1cc(Cl)ccc1Cl)NCc1cc(O)ccc1O ZINC001153879609 1380148345 /nfs/dbraw/zinc/14/83/45/1380148345.db2.gz REINCNKIGAEDCF-UHFFFAOYSA-N 0 0 326.179 3.264 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1cnn(-c2cccnc2)c1 ZINC001157041775 1380757688 /nfs/dbraw/zinc/75/76/88/1380757688.db2.gz NFAREXURIJVGEA-UHFFFAOYSA-N 0 0 344.374 3.056 10 10 EGCERN Cc1cc(=O)c(C(=O)NCc2c(O)ccc3ccccc32)cn1C1CC1 ZINC001157041555 1380758042 /nfs/dbraw/zinc/75/80/42/1380758042.db2.gz JDPZHTHQXHBVMM-UHFFFAOYSA-N 0 0 348.402 3.280 10 10 EGCERN O=C(CSCc1cccnc1)NCc1c(O)ccc2ccccc21 ZINC001157041557 1380758133 /nfs/dbraw/zinc/75/81/33/1380758133.db2.gz JDXPAUJBTHLDSR-UHFFFAOYSA-N 0 0 338.432 3.490 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC001328250641 1388699237 /nfs/dbraw/zinc/69/92/37/1388699237.db2.gz OSPJXKSUVRHOCA-LZQZEXGQSA-N 0 0 328.456 3.170 10 10 EGCERN Cc1cc(CNC(=O)[C@@H]2C[C@H](C)CO2)c(C)n1-c1cccc(C)c1 ZINC001287660269 1381318637 /nfs/dbraw/zinc/31/86/37/1381318637.db2.gz FCQPLIVDAAYUHA-LIRRHRJNSA-N 0 0 326.440 3.444 10 10 EGCERN O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cc2cc(O)c(O)cc2s1 ZINC001160382445 1382089142 /nfs/dbraw/zinc/08/91/42/1382089142.db2.gz VBTRYDFDSLIBMB-UHFFFAOYSA-N 0 0 341.348 3.147 10 10 EGCERN O=C(NCCCSc1nccs1)c1ccc(-c2c[nH]cn2)cc1 ZINC001292997916 1382243340 /nfs/dbraw/zinc/24/33/40/1382243340.db2.gz VBTLUYFEWHEBOS-UHFFFAOYSA-N 0 0 344.465 3.445 10 10 EGCERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1cnn(C)c1 ZINC001295594805 1382736435 /nfs/dbraw/zinc/73/64/35/1382736435.db2.gz MHMRKUUAILWPNQ-INIZCTEOSA-N 0 0 349.434 3.458 10 10 EGCERN Cc1c(NC(=O)C2=CC(=O)CS2)cnn1-c1ccc(F)cc1F ZINC001164150677 1383160994 /nfs/dbraw/zinc/16/09/94/1383160994.db2.gz XNJCDVZUFUTPOQ-UHFFFAOYSA-N 0 0 335.335 3.478 10 10 EGCERN Cc1csc(C(=O)NCc2cccc(Br)c2O)c1 ZINC001297442253 1383162278 /nfs/dbraw/zinc/16/22/78/1383162278.db2.gz YTAYFPGXGJUYSR-UHFFFAOYSA-N 0 0 326.215 3.455 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1coc(-c2cccnc2)n1 ZINC001165507303 1383304767 /nfs/dbraw/zinc/30/47/67/1383304767.db2.gz DQEJUAGGIVJWOW-UHFFFAOYSA-N 0 0 329.743 3.026 10 10 EGCERN O=C(N[C@@H](CO)c1cccc(Cl)c1Cl)C1=CC(=O)CS1 ZINC001167346739 1383605643 /nfs/dbraw/zinc/60/56/43/1383605643.db2.gz WBKMSCNTGWKFNE-JTQLQIEISA-N 0 0 332.208 3.224 10 10 EGCERN CON(C)CCCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001299989389 1383638208 /nfs/dbraw/zinc/63/82/08/1383638208.db2.gz MKDQSQPWLAOMQQ-UHFFFAOYSA-N 0 0 329.444 3.016 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)c1cnccn1 ZINC001300163135 1383649648 /nfs/dbraw/zinc/64/96/48/1383649648.db2.gz VFUFZCQTMTWWPS-CQSZACIVSA-N 0 0 348.406 3.188 10 10 EGCERN C[C@@H](NC(=O)c1ncsc1Nc1cccnc1)c1ccccc1O ZINC001302532790 1383756852 /nfs/dbraw/zinc/75/68/52/1383756852.db2.gz QUMRXUCCRRSIJY-LLVKDONJSA-N 0 0 340.408 3.478 10 10 EGCERN CC(C)OCCn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001303554722 1383805847 /nfs/dbraw/zinc/80/58/47/1383805847.db2.gz NZFGUIRYZOQKDL-UHFFFAOYSA-N 0 0 332.448 3.169 10 10 EGCERN Cc1nnc(N2CC=C(C)CC2)n1CCCSc1nccs1 ZINC001304592215 1383848585 /nfs/dbraw/zinc/84/85/85/1383848585.db2.gz HJVKKKIOOLEFAH-UHFFFAOYSA-N 0 0 335.502 3.382 10 10 EGCERN COC(=O)c1ccc(OC)c(CN(C)c2ccc(OC)cc2OC)c1 ZINC001168316489 1383871218 /nfs/dbraw/zinc/87/12/18/1383871218.db2.gz BYFVLJVXCPOTJN-UHFFFAOYSA-N 0 0 345.395 3.135 10 10 EGCERN CCc1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001306125521 1383877864 /nfs/dbraw/zinc/87/78/64/1383877864.db2.gz PVVPCWZOADBPHQ-GDBMZVCRSA-N 0 0 341.503 3.498 10 10 EGCERN COc1ccc(N(C)CC(=O)N(C)CCCOc2ccccc2)cc1 ZINC001307905941 1384054483 /nfs/dbraw/zinc/05/44/83/1384054483.db2.gz SJGCJTUTRSYYFO-UHFFFAOYSA-N 0 0 342.439 3.059 10 10 EGCERN C[C@@H](NCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1O ZINC001308009721 1384074824 /nfs/dbraw/zinc/07/48/24/1384074824.db2.gz CWZYMWHSYXNJEE-LLVKDONJSA-N 0 0 339.351 3.022 10 10 EGCERN CSC1(Cn2c(C)nnc2N(C)Cc2ccccc2O)CCC1 ZINC001316401400 1384459756 /nfs/dbraw/zinc/45/97/56/1384459756.db2.gz ORHSVCVAUTWAKO-UHFFFAOYSA-N 0 0 332.473 3.214 10 10 EGCERN O=C(Cc1cn2cc(F)ccc2n1)NCc1c(O)ccc2ccccc21 ZINC001179032219 1386383475 /nfs/dbraw/zinc/38/34/75/1386383475.db2.gz BCYJMRHLKWICCI-UHFFFAOYSA-N 0 0 349.365 3.191 10 10 EGCERN CO[C@H]1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC001320665069 1386685081 /nfs/dbraw/zinc/68/50/81/1386685081.db2.gz RONHJKWYBSNOST-WMZOPIPTSA-N 0 0 333.476 3.240 10 10 EGCERN COc1cccc(CNC(=O)c2cnc(C)c(Cl)c2Cl)c1O ZINC001182609053 1387195628 /nfs/dbraw/zinc/19/56/28/1387195628.db2.gz FKCIHWWEDMVFOM-UHFFFAOYSA-N 0 0 341.194 3.341 10 10 EGCERN CC(C)n1ncc(C(=O)NCc2ccc3c(c2)CCCN3C)c1Cl ZINC001329209734 1389023099 /nfs/dbraw/zinc/02/30/99/1389023099.db2.gz LTSUHLUGRBXKFN-UHFFFAOYSA-N 0 0 346.862 3.430 10 10 EGCERN Cn1nc(C2CC2)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001330790283 1389527883 /nfs/dbraw/zinc/52/78/83/1389527883.db2.gz MMCSKKKRUSAXCU-UHFFFAOYSA-N 0 0 339.443 3.002 10 10 EGCERN O=C(NC1(C2CC2)CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC001332558136 1390134894 /nfs/dbraw/zinc/13/48/94/1390134894.db2.gz KJYOXUJIKMRYNP-UHFFFAOYSA-N 0 0 333.409 3.002 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)C(C)(C)n2cnc(C)c2)cc1F ZINC001333736562 1390388061 /nfs/dbraw/zinc/38/80/61/1390388061.db2.gz UHTFTPQJQRWMGX-UHFFFAOYSA-N 0 0 346.450 3.228 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)C3(C)CC3)C2)cc1 ZINC001346330847 1390922895 /nfs/dbraw/zinc/92/28/95/1390922895.db2.gz POKUIQHOVIPNCZ-GJZGRUSLSA-N 0 0 331.460 3.009 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001347114852 1391002162 /nfs/dbraw/zinc/00/21/62/1391002162.db2.gz YMBVOIOWDVUBNZ-RBVVOMGSSA-N 0 0 335.398 3.130 10 10 EGCERN Cc1cc(CCNc2ccc(C(N)=O)cn2)c(C)n1-c1ccccc1 ZINC001348077283 1391169995 /nfs/dbraw/zinc/16/99/95/1391169995.db2.gz JYHZCOWXKJGVBI-UHFFFAOYSA-N 0 0 334.423 3.243 10 10 EGCERN CC(F)(F)C1(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC001351012901 1391581259 /nfs/dbraw/zinc/58/12/59/1391581259.db2.gz NKXLWMMIQGDYLF-UHFFFAOYSA-N 0 0 334.160 3.206 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccnn2CC2CCC2)cc1 ZINC001355015049 1392185976 /nfs/dbraw/zinc/18/59/76/1392185976.db2.gz IAPLQOVVTIYODI-UHFFFAOYSA-N 0 0 340.471 3.459 10 10 EGCERN COc1ccc(N2CCN(C(=O)NCC(C)(C)C3CC3)CC2)cc1F ZINC001687729746 1396473672 /nfs/dbraw/zinc/47/36/72/1396473672.db2.gz PDTXWEWKGXCABO-UHFFFAOYSA-N 0 0 349.450 3.102 10 10 EGCERN C[C@H]1C[C@H]1n1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001742975387 1439533298 /nfs/dbraw/zinc/53/32/98/1439533298.db2.gz BXUDNRWOMWYSNX-WMLDXEAASA-N 0 0 349.438 3.187 10 10 EGCERN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)CC ZINC001743567670 1439574171 /nfs/dbraw/zinc/57/41/71/1439574171.db2.gz UWVMRCOXOCOZAH-KUHUBIRLSA-N 0 0 346.475 3.295 10 10 EGCERN CCN(C)c1nnc(C2CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001745910999 1439830254 /nfs/dbraw/zinc/83/02/54/1439830254.db2.gz YKWWNOXXKZDBQC-UHFFFAOYSA-N 0 0 325.460 3.042 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1OCC[C@H]1C ZINC001750610886 1440107214 /nfs/dbraw/zinc/10/72/14/1440107214.db2.gz HHAFEOFRDCNGOO-RHSMWYFYSA-N 0 0 344.459 3.169 10 10 EGCERN CC(C)OCCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001751056055 1440120569 /nfs/dbraw/zinc/12/05/69/1440120569.db2.gz FXXBTWBIZYJRDT-UHFFFAOYSA-N 0 0 346.475 3.343 10 10 EGCERN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(N)cc1 ZINC000019519664 212037313 /nfs/dbraw/zinc/03/73/13/212037313.db2.gz SNJVQTJQSQEVTP-JTQLQIEISA-N 0 0 335.201 3.437 10 10 EGCERN Nc1ccc(NC(=O)CCOc2ccccc2Br)cc1 ZINC000019518860 212036535 /nfs/dbraw/zinc/03/65/35/212036535.db2.gz KQQFDYOHPXTKOA-UHFFFAOYSA-N 0 0 335.201 3.439 10 10 EGCERN Cc1cc(C(=O)NC2CCC(O)CC2)c(C)n1-c1ccccc1C ZINC000009367914 453251049 /nfs/dbraw/zinc/25/10/49/453251049.db2.gz XSQKQXJMEWAYIS-UHFFFAOYSA-N 0 0 326.440 3.436 10 10 EGCERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000053916178 453900186 /nfs/dbraw/zinc/90/01/86/453900186.db2.gz HFWTXZSUFFEUHJ-GUYCJALGSA-N 0 0 338.407 3.259 10 10 EGCERN COC(=O)C1=C(C)NC(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000033304714 453914359 /nfs/dbraw/zinc/91/43/59/453914359.db2.gz BDTSQRPQDJLAFX-LDADJPATSA-N 0 0 349.386 3.226 10 10 EGCERN CC(C)c1cc(OCc2ccccc2)ccc1N(CCO)CCO ZINC000039049191 453942552 /nfs/dbraw/zinc/94/25/52/453942552.db2.gz RKFKQRXCVMFWIJ-UHFFFAOYSA-N 0 0 329.440 3.180 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000043266795 454051219 /nfs/dbraw/zinc/05/12/19/454051219.db2.gz GVTRGJWVTPNXGM-UHFFFAOYSA-N 0 0 347.365 3.328 10 10 EGCERN CC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1 ZINC000174991587 455419847 /nfs/dbraw/zinc/41/98/47/455419847.db2.gz XEPPIDBTGVEOGY-MRXNPFEDSA-N 0 0 332.444 3.273 10 10 EGCERN CN1CCCc2cc(/C=C/C(=O)NC[C@@H]3Cc4ccccc4O3)ccc21 ZINC000058245765 454174213 /nfs/dbraw/zinc/17/42/13/454174213.db2.gz IRHMXBGOYHJSOB-JARZOMNASA-N 0 0 348.446 3.202 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000089782876 454198435 /nfs/dbraw/zinc/19/84/35/454198435.db2.gz QDYJQBCDOKCQII-QZTJIDSGSA-N 0 0 346.358 3.449 10 10 EGCERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000046973021 454309903 /nfs/dbraw/zinc/30/99/03/454309903.db2.gz HSKPYSHSTXKAJC-LPHOPBHVSA-N 0 0 345.487 3.386 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1CCCCC1 ZINC000073043127 454386175 /nfs/dbraw/zinc/38/61/75/454386175.db2.gz RFKPZIHJFKEXGL-UHFFFAOYSA-N 0 0 345.487 3.245 10 10 EGCERN O=C(N[C@@H]1CCCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000074131995 454535325 /nfs/dbraw/zinc/53/53/25/454535325.db2.gz DSSGWXFHLCENAR-MRXNPFEDSA-N 0 0 332.444 3.416 10 10 EGCERN COc1ccc(N2CCCN(c3ncnc4ccccc43)CC2)cc1 ZINC000052511606 454680933 /nfs/dbraw/zinc/68/09/33/454680933.db2.gz IONSIBCOFYVLAW-UHFFFAOYSA-N 0 0 334.423 3.355 10 10 EGCERN COc1ccc(N2CCCN(C(=O)N[C@H](C)C(C)(C)C)CC2)cc1 ZINC000112462601 454888073 /nfs/dbraw/zinc/88/80/73/454888073.db2.gz KRJBNYPWQNPLID-OAHLLOKOSA-N 0 0 333.476 3.352 10 10 EGCERN O=C1N=C(NCc2ccccc2)SC1=Cc1ccc2c(c1)CCO2 ZINC000168246314 454925587 /nfs/dbraw/zinc/92/55/87/454925587.db2.gz OJSNJDIKPXJLER-GZTJUZNOSA-N 0 0 336.416 3.382 10 10 EGCERN C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115619 455504290 /nfs/dbraw/zinc/50/42/90/455504290.db2.gz RPCPOJJVMMZYSG-RYUDHWBXSA-N 0 0 347.286 3.196 10 10 EGCERN COc1cccc(/C(C)=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183418085 455290335 /nfs/dbraw/zinc/29/03/35/455290335.db2.gz PVXGIUNJUGVALQ-KADHNRKRSA-N 0 0 341.407 3.257 10 10 EGCERN CC1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)COC1 ZINC000174884844 455416653 /nfs/dbraw/zinc/41/66/53/455416653.db2.gz DFLIDYRPQCNTNK-UHFFFAOYSA-N 0 0 332.444 3.273 10 10 EGCERN COc1cccc(CNc2cc(N3CCC[C@H](C)C3)ncn2)c1O ZINC000271635274 455706942 /nfs/dbraw/zinc/70/69/42/455706942.db2.gz ONPZSXSSAFBPKN-ZDUSSCGKSA-N 0 0 328.416 3.039 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000248567638 455719661 /nfs/dbraw/zinc/71/96/61/455719661.db2.gz QOTSMJXZAUAINR-JRQSSSKMSA-N 0 0 337.419 3.049 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000248567641 455720096 /nfs/dbraw/zinc/72/00/96/455720096.db2.gz QOTSMJXZAUAINR-PJUBBZNESA-N 0 0 337.419 3.049 10 10 EGCERN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c(F)c1[O-] ZINC000249033341 455741891 /nfs/dbraw/zinc/74/18/91/455741891.db2.gz BRWKPVDSEGDFRX-MMPTUQATSA-N 0 0 329.412 3.376 10 10 EGCERN CN(C)c1ccc(CNCc2nnc(C3CC3)[nH]2)c(C(F)(F)F)c1 ZINC000294672917 455823947 /nfs/dbraw/zinc/82/39/47/455823947.db2.gz AXRLNAPGTIEKKB-UHFFFAOYSA-N 0 0 339.365 3.057 10 10 EGCERN CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1)C(N)=O ZINC000294762747 455826403 /nfs/dbraw/zinc/82/64/03/455826403.db2.gz JGTDYDCMNFAGLK-NSHDSACASA-N 0 0 342.842 3.298 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCOC[C@@H]3C)c2C)cc1 ZINC000278365208 455830950 /nfs/dbraw/zinc/83/09/50/455830950.db2.gz BPQFNUSUXCPASB-ORAYPTAESA-N 0 0 342.439 3.258 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000279874227 455875877 /nfs/dbraw/zinc/87/58/77/455875877.db2.gz NJDHCISISNWLAP-UHFFFAOYSA-N 0 0 340.423 3.427 10 10 EGCERN CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(F)cc1[O-] ZINC000287567760 456072120 /nfs/dbraw/zinc/07/21/20/456072120.db2.gz QKYIMAOZAIEFMK-NVXWUHKLSA-N 0 0 346.450 3.283 10 10 EGCERN Cc1cc(C)n(-c2cncc(NCc3ccc(N(C)C)cc3C)n2)n1 ZINC000301309296 456087553 /nfs/dbraw/zinc/08/75/53/456087553.db2.gz XLPJCCUXKCZNSR-UHFFFAOYSA-N 0 0 336.443 3.266 10 10 EGCERN CCc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301612629 456162750 /nfs/dbraw/zinc/16/27/50/456162750.db2.gz SNPAUUADMXSLPD-UHFFFAOYSA-N 0 0 341.367 3.125 10 10 EGCERN CCC[C@@]1(C)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301689617 456187163 /nfs/dbraw/zinc/18/71/63/456187163.db2.gz MYQSURDBRULIAA-KRWDZBQOSA-N 0 0 333.388 3.332 10 10 EGCERN CCCc1occc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000281331237 456204536 /nfs/dbraw/zinc/20/45/36/456204536.db2.gz TZDFEYKTEYRLQV-UHFFFAOYSA-N 0 0 342.439 3.341 10 10 EGCERN COC(=O)CCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000275258992 456272246 /nfs/dbraw/zinc/27/22/46/456272246.db2.gz IHXMLRSKYGCKFU-UHFFFAOYSA-N 0 0 346.471 3.369 10 10 EGCERN CN1CCCc2cc(CNC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(F)F)ccc21 ZINC000291897264 456791874 /nfs/dbraw/zinc/79/18/74/456791874.db2.gz PPMVKRIUSKETPW-AEFFLSMTSA-N 0 0 349.425 3.256 10 10 EGCERN CCCN(CCC)c1ccc(CN2CCOC[C@@H]2c2ncon2)cc1 ZINC000369830991 457421094 /nfs/dbraw/zinc/42/10/94/457421094.db2.gz IOXRNZPAGVNALM-GOSISDBHSA-N 0 0 344.459 3.270 10 10 EGCERN Cc1cn2c(n1)CN(C(=O)c1sccc1-n1c(C)ccc1C)CC2 ZINC000363708090 457422822 /nfs/dbraw/zinc/42/28/22/457422822.db2.gz CTUHHRVKBUKZQD-UHFFFAOYSA-N 0 0 340.452 3.317 10 10 EGCERN CCc1nc([C@H]2CCCCN2Cc2cc(F)cc(C(C)=O)c2O)no1 ZINC000364187863 457517621 /nfs/dbraw/zinc/51/76/21/457517621.db2.gz BRSQEEXLASPWQE-OAHLLOKOSA-N 0 0 347.390 3.407 10 10 EGCERN CCOc1cccc(CN2CCCC[C@@H]2c2noc(CC)n2)c1O ZINC000361156004 457618373 /nfs/dbraw/zinc/61/83/73/457618373.db2.gz FCQZHHHXLCCDLO-CQSZACIVSA-N 0 0 331.416 3.464 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@H](Cc3ccncc3)C2)cc1OC ZINC000374665157 457683320 /nfs/dbraw/zinc/68/33/20/457683320.db2.gz RXRHPISWXCSEKO-CQSZACIVSA-N 0 0 343.383 3.076 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c(O)c1O ZINC000375872200 458103668 /nfs/dbraw/zinc/10/36/68/458103668.db2.gz FAIYWCPTJVJUCK-CQSZACIVSA-N 0 0 341.363 3.112 10 10 EGCERN C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1cccnc1 ZINC000437014136 458422890 /nfs/dbraw/zinc/42/28/90/458422890.db2.gz DCKIIGMMKCFPEP-AWEZNQCLSA-N 0 0 325.412 3.067 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCOCC3)cc2)CC1 ZINC000377319969 458496205 /nfs/dbraw/zinc/49/62/05/458496205.db2.gz GIJYDMNXWBYDQW-GOSISDBHSA-N 0 0 330.472 3.356 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1[C@H]1CCOC1 ZINC000528829509 459814590 /nfs/dbraw/zinc/81/45/90/459814590.db2.gz XQBMDLMQOBOULN-INIZCTEOSA-N 0 0 328.412 3.044 10 10 EGCERN CO[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CCCCC1 ZINC000611658362 460423627 /nfs/dbraw/zinc/42/36/27/460423627.db2.gz VJPWJPOYRQWUFA-GOSISDBHSA-N 0 0 332.444 3.073 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000728950339 574789493 /nfs/dbraw/zinc/78/94/93/574789493.db2.gz LDOLGSGBEULOSE-ZLIFDBKOSA-N 0 0 326.396 3.317 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCc3ccccc3C2)c1 ZINC000729050504 574809030 /nfs/dbraw/zinc/80/90/30/574809030.db2.gz WGULICARKRHRGC-BBRMVZONSA-N 0 0 340.423 3.319 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000729535574 574869173 /nfs/dbraw/zinc/86/91/73/574869173.db2.gz UEGZLXVDBATJMM-LLVKDONJSA-N 0 0 330.340 3.108 10 10 EGCERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000731867696 575216155 /nfs/dbraw/zinc/21/61/55/575216155.db2.gz QBZQHMAMLXCJLE-AWEZNQCLSA-N 0 0 333.409 3.448 10 10 EGCERN C[C@@H]1CN(C(=O)/C=C\c2cnc3ccccc3n2)c2ccccc2O1 ZINC000732035213 575232635 /nfs/dbraw/zinc/23/26/35/575232635.db2.gz QPQBXVZIQQEVSX-IWMPZKFUSA-N 0 0 331.375 3.457 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000732049226 575233794 /nfs/dbraw/zinc/23/37/94/575233794.db2.gz HNSRUKVLVKZTOI-BRLPQQTGSA-N 0 0 342.351 3.368 10 10 EGCERN COc1ccc(-c2cnc(COC(=O)C3=CC(=O)CS3)o2)cc1 ZINC000732355128 575262087 /nfs/dbraw/zinc/26/20/87/575262087.db2.gz DOKLDNGGOASWGC-UHFFFAOYSA-N 0 0 331.349 3.474 10 10 EGCERN COc1ccc(O)c(CNC(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC000734005966 575421855 /nfs/dbraw/zinc/42/18/55/575421855.db2.gz GGLOWPZSUUMHSF-UHFFFAOYSA-N 0 0 347.318 3.198 10 10 EGCERN CCOc1ccc([C@H](C)NC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734064760 575428702 /nfs/dbraw/zinc/42/87/02/575428702.db2.gz KFUBOHKZKWUXNW-ZDUSSCGKSA-N 0 0 344.411 3.360 10 10 EGCERN CO[C@H](C)CN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000740846522 576629105 /nfs/dbraw/zinc/62/91/05/576629105.db2.gz JHGMGWNLQMYKND-OAHLLOKOSA-N 0 0 329.444 3.375 10 10 EGCERN Cc1ccc(CC[C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000743675306 576814378 /nfs/dbraw/zinc/81/43/78/576814378.db2.gz YPACXMDUBYXGMB-AWEZNQCLSA-N 0 0 329.444 3.475 10 10 EGCERN Cc1ccc(-c2noc(COC(=O)c3ccc(C)c(O)c3O)n2)cc1 ZINC000110529040 1293098753 /nfs/dbraw/zinc/09/87/53/1293098753.db2.gz WLPSQCLTEHDORE-UHFFFAOYSA-N 0 0 340.335 3.122 10 10 EGCERN CCOc1ccc(N(C)CC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000150728136 1293889939 /nfs/dbraw/zinc/88/99/39/1293889939.db2.gz CQOYSKISMBASGV-UHFFFAOYSA-N 0 0 342.443 3.472 10 10 EGCERN CC(=O)C(=O)COC(=O)c1ccnc(Oc2ccc(C(C)C)cc2)c1 ZINC000869972353 1295568664 /nfs/dbraw/zinc/56/86/64/1295568664.db2.gz FOAPRVDVVPNRNN-UHFFFAOYSA-N 0 0 341.363 3.312 10 10 EGCERN CCOc1ccccc1OCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871198834 1296268826 /nfs/dbraw/zinc/26/88/26/1296268826.db2.gz PLULZULPRKULGX-UHFFFAOYSA-N 0 0 341.407 3.492 10 10 EGCERN O=C(CCCc1nnc(-c2ccccc2)o1)N1Cc2cccc(O)c2C1 ZINC000871198341 1296269018 /nfs/dbraw/zinc/26/90/18/1296269018.db2.gz HXFBHPKRZYJCAX-UHFFFAOYSA-N 0 0 349.390 3.307 10 10 EGCERN C/C=C\c1ccc(OCC(=O)N2Cc3cccc(O)c3C2)c(OC)c1 ZINC000871199940 1296270218 /nfs/dbraw/zinc/27/02/18/1296270218.db2.gz WHWXQTIZUDGDKP-HYXAFXHYSA-N 0 0 339.391 3.355 10 10 EGCERN O=C(c1nc2ccccc2nc1C1CC1)N1Cc2cccc(O)c2C1 ZINC000871204507 1296271332 /nfs/dbraw/zinc/27/13/32/1296271332.db2.gz DUKNSVKOYGYFBV-UHFFFAOYSA-N 0 0 331.375 3.369 10 10 EGCERN CC[N@@H+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1C ZINC000708141611 1298237130 /nfs/dbraw/zinc/23/71/30/1298237130.db2.gz SVQAAVPYFOESMA-SNVBAGLBSA-N 0 0 347.684 3.334 10 10 EGCERN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3ccnn3)CC2)c1O ZINC000878942156 1300275659 /nfs/dbraw/zinc/27/56/59/1300275659.db2.gz YJMWHTZMDDKRLO-HNNXBMFYSA-N 0 0 348.834 3.067 10 10 EGCERN c1cc(N2CCSCC2)ccc1CNCc1nnc(C2CC2)s1 ZINC000892611885 1305470043 /nfs/dbraw/zinc/47/00/43/1305470043.db2.gz BZVZSWSAZMHVCV-UHFFFAOYSA-N 0 0 346.525 3.259 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)Cc3sc(C)cc3C)C2)cc1 ZINC000892684180 1305506642 /nfs/dbraw/zinc/50/66/42/1305506642.db2.gz AGYNCBDKGJIVRN-OAHLLOKOSA-N 0 0 344.480 3.311 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000895485028 1309364935 /nfs/dbraw/zinc/36/49/35/1309364935.db2.gz HDADLGUVYOCTSI-GOSISDBHSA-N 0 0 330.472 3.450 10 10 EGCERN CCOc1ccc(O)c(CN2CCn3cnc(C(F)(F)F)c3C2)c1 ZINC000895561445 1309402398 /nfs/dbraw/zinc/40/23/98/1309402398.db2.gz BGRQVEATAXUWOL-UHFFFAOYSA-N 0 0 341.333 3.022 10 10 EGCERN [O-]c1c(Br)cccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895871119 1309573099 /nfs/dbraw/zinc/57/30/99/1309573099.db2.gz ZDHZUCCIZRYVHA-UHFFFAOYSA-N 0 0 340.261 3.330 10 10 EGCERN Cc1nccn1CCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896643941 1309951810 /nfs/dbraw/zinc/95/18/10/1309951810.db2.gz VMOKPWOPZBGQHU-UHFFFAOYSA-N 0 0 345.424 3.028 10 10 EGCERN O=C(Nc1cnn(CC2CC2)c1)c1cc2cc(O)c(O)cc2s1 ZINC000896757877 1310000426 /nfs/dbraw/zinc/00/04/26/1310000426.db2.gz FQWUFMCOJZPOER-UHFFFAOYSA-N 0 0 329.381 3.171 10 10 EGCERN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896853493 1310053655 /nfs/dbraw/zinc/05/36/55/1310053655.db2.gz MQKPCCSYKWQNSF-PIGZYNQJSA-N 0 0 349.452 3.494 10 10 EGCERN Cc1noc(C)c1CCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896896681 1310074081 /nfs/dbraw/zinc/07/40/81/1310074081.db2.gz BUFDQHDGUPDQQH-UHFFFAOYSA-N 0 0 346.408 3.280 10 10 EGCERN CCC(CC)(CCO)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896996689 1310127414 /nfs/dbraw/zinc/12/74/14/1310127414.db2.gz ZECPAOVZEKOSKO-UHFFFAOYSA-N 0 0 337.441 3.231 10 10 EGCERN C[C@](O)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CCCCC1 ZINC000897548929 1310375187 /nfs/dbraw/zinc/37/51/87/1310375187.db2.gz FTPUNFHIPAYDMF-SFHVURJKSA-N 0 0 349.452 3.374 10 10 EGCERN CCOC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC000897854111 1310492423 /nfs/dbraw/zinc/49/24/23/1310492423.db2.gz YFOBEMAADMNZOJ-UHFFFAOYSA-N 0 0 335.425 3.392 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccnc(OC(F)F)c1 ZINC000857472018 1328539416 /nfs/dbraw/zinc/53/94/16/1328539416.db2.gz DXUTVHYQGFQYIZ-UHFFFAOYSA-N 0 0 348.349 3.197 10 10 EGCERN COc1cc(N(C)C[C@H]2CC[C@H](C(F)(F)F)O2)cc(OC)c1OC ZINC000929706845 1328673177 /nfs/dbraw/zinc/67/31/77/1328673177.db2.gz IDEKWPIWBPRTBM-BXUZGUMPSA-N 0 0 349.349 3.259 10 10 EGCERN Cc1cc(CCNC(=O)COCC(F)F)c(C)n1-c1ccccc1 ZINC000858205759 1328710999 /nfs/dbraw/zinc/71/09/99/1328710999.db2.gz ARXGVWRIGAFGEZ-UHFFFAOYSA-N 0 0 336.382 3.035 10 10 EGCERN CCCNC(=O)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000929861126 1328723141 /nfs/dbraw/zinc/72/31/41/1328723141.db2.gz OIACDQOCZNXTEY-UHFFFAOYSA-N 0 0 339.395 3.080 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC000858604298 1328807669 /nfs/dbraw/zinc/80/76/69/1328807669.db2.gz GFNGPMOBYOOQPN-GOEBONIOSA-N 0 0 339.277 3.323 10 10 EGCERN CC(C)C[C@H](NCC(F)(F)F)C(=O)N[C@H](C)c1ccccc1O ZINC000913763637 1319118469 /nfs/dbraw/zinc/11/84/69/1319118469.db2.gz MIVLAPYMAYLAAY-YPMHNXCESA-N 0 0 332.366 3.136 10 10 EGCERN O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CCC=CCC1 ZINC000914335221 1319299412 /nfs/dbraw/zinc/29/94/12/1319299412.db2.gz LJUZZOKWVUIICB-UHFFFAOYSA-N 0 0 343.471 3.069 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCCOc2ccc(F)cc21 ZINC000914335488 1319299518 /nfs/dbraw/zinc/29/95/18/1319299518.db2.gz IETWGOQPINEXDJ-HNNXBMFYSA-N 0 0 348.349 3.384 10 10 EGCERN O=C1N[C@@H](c2cccc(Br)c2O)Nc2cc(F)ccc21 ZINC000917502120 1319823104 /nfs/dbraw/zinc/82/31/04/1319823104.db2.gz NFVMCSQFRDTVRE-ZDUSSCGKSA-N 0 0 337.148 3.148 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C)CC3)cc2)CC1 ZINC000917522535 1319825986 /nfs/dbraw/zinc/82/59/86/1319825986.db2.gz JNCWJWBOPKEJHK-KRWDZBQOSA-N 0 0 345.487 3.243 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NC[C@@H]1CCCO1 ZINC000917593178 1319845575 /nfs/dbraw/zinc/84/55/75/1319845575.db2.gz GRWATEQVYJJHLJ-KRWDZBQOSA-N 0 0 335.517 3.017 10 10 EGCERN COc1ccc2c(c1)CC[C@H]2C(=O)NCc1ccc(N(C)C)cc1C ZINC000859420921 1328984906 /nfs/dbraw/zinc/98/49/06/1328984906.db2.gz DTKKNXWMSPUBEK-HXUWFJFHSA-N 0 0 338.451 3.416 10 10 EGCERN Cc1c(C(F)(F)F)nn(C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000930848577 1328986649 /nfs/dbraw/zinc/98/66/49/1328986649.db2.gz KZKGLLLDKNKSSL-UHFFFAOYSA-N 0 0 340.305 3.001 10 10 EGCERN C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nccs2)CC1 ZINC000919675393 1322092720 /nfs/dbraw/zinc/09/27/20/1322092720.db2.gz DFHWVXPQVXQYER-AWEZNQCLSA-N 0 0 347.509 3.141 10 10 EGCERN COC(=O)CCCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000921044299 1322248808 /nfs/dbraw/zinc/24/88/08/1322248808.db2.gz BPHBCXUMRPDJEX-UHFFFAOYSA-N 0 0 342.439 3.476 10 10 EGCERN C[C@H](NC(=O)NC1([C@@H]2CCCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000922053950 1322445647 /nfs/dbraw/zinc/44/56/47/1322445647.db2.gz HALSQLGFSFPMNU-YOEHRIQHSA-N 0 0 331.460 3.215 10 10 EGCERN O=C(C=C1CCC1)NCc1cc(NC(=O)C=C2CCC2)ccc1O ZINC000923120098 1322695757 /nfs/dbraw/zinc/69/57/57/1322695757.db2.gz QDFDSRVSLFNIJW-UHFFFAOYSA-N 0 0 326.396 3.168 10 10 EGCERN C[C@@H](C(=O)NCc1cc(NC(=O)[C@H](C)C2CC2)ccc1O)C1CC1 ZINC000923119382 1322695805 /nfs/dbraw/zinc/69/58/05/1322695805.db2.gz KRXKFXHXEMCHLK-VXGBXAGGSA-N 0 0 330.428 3.039 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000923397519 1322745208 /nfs/dbraw/zinc/74/52/08/1322745208.db2.gz MGUHNANCDFSZBF-JCURWCKSSA-N 0 0 346.789 3.322 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000923456850 1322755096 /nfs/dbraw/zinc/75/50/96/1322755096.db2.gz ZNLMPPRREJCAKZ-YMRXKLBXSA-N 0 0 346.789 3.322 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000860234554 1329180477 /nfs/dbraw/zinc/18/04/77/1329180477.db2.gz HJDGECGDYAYNQY-UHFFFAOYSA-N 0 0 326.396 3.153 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000860241201 1329181851 /nfs/dbraw/zinc/18/18/51/1329181851.db2.gz HHDLMCHLFYUDNC-BPQIPLTHSA-N 0 0 343.810 3.256 10 10 EGCERN Cc1cc(C(=O)COC(=O)C23CC(C2)C3)c(C)n1-c1ccc(F)cn1 ZINC000860272764 1329185569 /nfs/dbraw/zinc/18/55/69/1329185569.db2.gz CAQBBXGJOCOYHK-UHFFFAOYSA-N 0 0 342.370 3.154 10 10 EGCERN COC(C)(C)[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000925497305 1325178624 /nfs/dbraw/zinc/17/86/24/1325178624.db2.gz GRYBMEWCRGRQNZ-OAHLLOKOSA-N 0 0 335.492 3.486 10 10 EGCERN C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000925786755 1325303173 /nfs/dbraw/zinc/30/31/73/1325303173.db2.gz VVZMWDCBJMAFAS-DNSOKLHBSA-N 0 0 333.657 3.067 10 10 EGCERN O=C(COC(=O)c1cc(C2CC2)[nH]c1C1CC1)c1ccc(O)c(O)c1 ZINC000860406294 1329313971 /nfs/dbraw/zinc/31/39/71/1329313971.db2.gz DIYMIPKHYKGAGW-UHFFFAOYSA-N 0 0 341.363 3.220 10 10 EGCERN Cc1ccccc1CO[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000860693891 1329345135 /nfs/dbraw/zinc/34/51/35/1329345135.db2.gz HAMHCPGLAZULQM-HUUCEWRRSA-N 0 0 343.423 3.059 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000926680801 1327664879 /nfs/dbraw/zinc/66/48/79/1327664879.db2.gz RSFOYAZKCYQWKP-DZGCQCFKSA-N 0 0 343.393 3.483 10 10 EGCERN C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927149210 1327892698 /nfs/dbraw/zinc/89/26/98/1327892698.db2.gz ZWACJXQJQUFITE-RKDXNWHRSA-N 0 0 341.242 3.036 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCc3cccnc32)cc1 ZINC000927385485 1327997338 /nfs/dbraw/zinc/99/73/38/1327997338.db2.gz XXKWDBGWLIQXPN-SFHVURJKSA-N 0 0 338.455 3.367 10 10 EGCERN COc1ccc(OC(C)(C)C(=O)NCc2c(O)cccc2F)cc1 ZINC000928706344 1328403239 /nfs/dbraw/zinc/40/32/39/1328403239.db2.gz QTEDNPIOICUILV-UHFFFAOYSA-N 0 0 333.359 3.014 10 10 EGCERN CC[C@H](C)CC[C@H](O)CC(=O)NCc1ccc2cccnc2c1O ZINC000862026454 1329455856 /nfs/dbraw/zinc/45/58/56/1329455856.db2.gz OOORSNOOUYIKDM-BBRMVZONSA-N 0 0 330.428 3.134 10 10 EGCERN CCCCn1cc(C(=O)NCc2ccc3cccnc3c2O)c(C)n1 ZINC000862027362 1329455973 /nfs/dbraw/zinc/45/59/73/1329455973.db2.gz PGWXSAMIFMTTIP-UHFFFAOYSA-N 0 0 338.411 3.175 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)C(F)(F)F)cc1 ZINC000862129659 1329460732 /nfs/dbraw/zinc/46/07/32/1329460732.db2.gz SWBVIEYOMAUMEZ-GFCCVEGCSA-N 0 0 332.366 3.178 10 10 EGCERN COc1ccc2c(c1)CC[C@H]2C(=O)NCc1cc(Cl)ccc1O ZINC000862130787 1329460763 /nfs/dbraw/zinc/46/07/63/1329460763.db2.gz MMMOMUPOHXJJFU-MRXNPFEDSA-N 0 0 331.799 3.400 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)cc1 ZINC000862159349 1329463293 /nfs/dbraw/zinc/46/32/93/1329463293.db2.gz RGBZOMWETPAEIT-JCGIZDLHSA-N 0 0 342.464 3.255 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)c3ccco3)C2)cc1 ZINC000862158239 1329463359 /nfs/dbraw/zinc/46/33/59/1329463359.db2.gz FGNPUOKIGGPWOD-GJZGRUSLSA-N 0 0 328.412 3.177 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c1 ZINC000862759308 1329507069 /nfs/dbraw/zinc/50/70/69/1329507069.db2.gz CFTKZWYGJDIZHD-SUMWQHHRSA-N 0 0 338.407 3.225 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000863007691 1329522502 /nfs/dbraw/zinc/52/25/02/1329522502.db2.gz XNLGZEGDBGLQGN-TXPWEPMLSA-N 0 0 327.428 3.031 10 10 EGCERN C[C@H](NC(=S)N[C@@H]1CCc2ccccc2C1)c1ccccc1O ZINC000865270568 1329681782 /nfs/dbraw/zinc/68/17/82/1329681782.db2.gz WJTNSJOMGGOUBC-XJKSGUPXSA-N 0 0 326.465 3.475 10 10 EGCERN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)on1 ZINC000865418013 1329694507 /nfs/dbraw/zinc/69/45/07/1329694507.db2.gz GFOILAYIMXDYNB-ZIAGYGMSSA-N 0 0 333.407 3.026 10 10 EGCERN C[C@@H](O)c1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000865468558 1329701535 /nfs/dbraw/zinc/70/15/35/1329701535.db2.gz BEIVEXKGFBNAKW-HUUCEWRRSA-N 0 0 327.428 3.145 10 10 EGCERN COC(=O)c1cnc(N2Cc3cccc(O)c3C2)c(C(F)(F)F)c1 ZINC000866118037 1330067217 /nfs/dbraw/zinc/06/72/17/1330067217.db2.gz VJHKTCJJQYONAM-UHFFFAOYSA-N 0 0 338.285 3.113 10 10 EGCERN COc1cccc(CNC(=O)[C@H](C)CC(=O)c2ccc(F)cc2)c1O ZINC000866764276 1330147843 /nfs/dbraw/zinc/14/78/43/1330147843.db2.gz RUNJKTOCTCBVCK-GFCCVEGCSA-N 0 0 345.370 3.065 10 10 EGCERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)O1 ZINC000867223151 1330186116 /nfs/dbraw/zinc/18/61/16/1330186116.db2.gz VBUCOEZMMNZAHB-RDTXWAMCSA-N 0 0 339.391 3.188 10 10 EGCERN CCC(C)(C)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000868864675 1330363088 /nfs/dbraw/zinc/36/30/88/1330363088.db2.gz UZZDLKMRHYWDJI-UHFFFAOYSA-N 0 0 347.503 3.273 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CC2(CSC2)C1 ZINC000868888807 1330367401 /nfs/dbraw/zinc/36/74/01/1330367401.db2.gz DSRNSJQEURUROY-CQSZACIVSA-N 0 0 332.513 3.251 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@](O)(C(F)F)C2)c(C)n1-c1ccccc1C ZINC001325280284 1387927311 /nfs/dbraw/zinc/92/73/11/1387927311.db2.gz YAUFKSNSWQMVCO-IBGZPJMESA-N 0 0 348.393 3.245 10 10 EGCERN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1O ZINC001196505950 1368629364 /nfs/dbraw/zinc/62/93/64/1368629364.db2.gz JVBOOVCLZBNCPE-GOSISDBHSA-N 0 0 342.414 3.445 10 10 EGCERN Cc1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001116675188 1370954747 /nfs/dbraw/zinc/95/47/47/1370954747.db2.gz VJTDLMDZAUJDMZ-QGZVFWFLSA-N 0 0 344.842 3.344 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001118156106 1371139884 /nfs/dbraw/zinc/13/98/84/1371139884.db2.gz ZTGRZJJAQOQNKR-IRXDYDNUSA-N 0 0 334.435 3.010 10 10 EGCERN CCOCCCCCC(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001118931368 1371252188 /nfs/dbraw/zinc/25/21/88/1371252188.db2.gz DWQVLDXHWMOSFW-UHFFFAOYSA-N 0 0 348.487 3.331 10 10 EGCERN C[C@H](NC(=O)N1CC[C@@H]1[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC001123548537 1372503950 /nfs/dbraw/zinc/50/39/50/1372503950.db2.gz ASKRMJNJXWLSMB-QILLFSRXSA-N 0 0 331.460 3.024 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1OC(F)(F)O2 ZINC001126004422 1372908770 /nfs/dbraw/zinc/90/87/70/1372908770.db2.gz BDOQIWJNWHVRGE-UHFFFAOYSA-N 0 0 348.349 3.313 10 10 EGCERN Cc1cc(CC(=O)NC[C@H]2CC[C@@H](C)O2)c(C)n1-c1ccccc1 ZINC001129518516 1373393478 /nfs/dbraw/zinc/39/34/78/1373393478.db2.gz ADMPBFVWQXTHML-DNVCBOLYSA-N 0 0 326.440 3.320 10 10 EGCERN CCc1cccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001129818627 1373425624 /nfs/dbraw/zinc/42/56/24/1373425624.db2.gz CRGUJZZVQZJEJJ-HNNXBMFYSA-N 0 0 325.456 3.379 10 10 EGCERN CC1(CC(F)F)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC001326753030 1388299604 /nfs/dbraw/zinc/29/96/04/1388299604.db2.gz RNCIDIAQBCGZAD-UHFFFAOYSA-N 0 0 335.398 3.250 10 10 EGCERN CO[C@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)C1CC1 ZINC001132263561 1375252672 /nfs/dbraw/zinc/25/26/72/1375252672.db2.gz FPDQYLRDYOXBEH-IBGZPJMESA-N 0 0 326.440 3.444 10 10 EGCERN COC(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cccnc1C)CCC2 ZINC001133860890 1376237572 /nfs/dbraw/zinc/23/75/72/1376237572.db2.gz BSEDHQIBVRYNQW-KTKRTIGZSA-N 0 0 336.391 3.169 10 10 EGCERN Cc1cc(CNC(=O)NC[C@@](C)(O)C2CC2)c(C)n1-c1ccccc1 ZINC001234327238 1376811682 /nfs/dbraw/zinc/81/16/82/1376811682.db2.gz NXJITLAGGBWDGS-HXUWFJFHSA-N 0 0 341.455 3.054 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(C(F)(F)F)cc1 ZINC001135591536 1377156683 /nfs/dbraw/zinc/15/66/83/1377156683.db2.gz NXPIWADVQVHGAF-UHFFFAOYSA-N 0 0 339.313 3.018 10 10 EGCERN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001137145335 1377485285 /nfs/dbraw/zinc/48/52/85/1377485285.db2.gz AJJRXBJNJITVDN-WYRIXSBYSA-N 0 0 329.371 3.219 10 10 EGCERN COc1cccc2c1CC[C@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137381055 1377536633 /nfs/dbraw/zinc/53/66/33/1377536633.db2.gz HYHPFHXRDFFMBP-OAHLLOKOSA-N 0 0 338.367 3.275 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2nncs2)cc1 ZINC001139617525 1377919174 /nfs/dbraw/zinc/91/91/74/1377919174.db2.gz SQPDWCKRDAUAIW-KRXBUXKQSA-N 0 0 339.376 3.268 10 10 EGCERN CC(C)[C@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)CCO1 ZINC001141105370 1378241052 /nfs/dbraw/zinc/24/10/52/1378241052.db2.gz MJHLBBNIHLOQHV-IUODEOHRSA-N 0 0 332.404 3.030 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C1=NO[C@@H](c2ccccc2)C1 ZINC001142727639 1378481668 /nfs/dbraw/zinc/48/16/68/1378481668.db2.gz CBTDTSWQALFFLA-QGZVFWFLSA-N 0 0 347.374 3.074 10 10 EGCERN CC(C)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1(CO)CCCC1 ZINC001143912179 1378659272 /nfs/dbraw/zinc/65/92/72/1378659272.db2.gz SHMLVMDEOVJYBR-OAHLLOKOSA-N 0 0 346.431 3.156 10 10 EGCERN CNc1ccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1F ZINC001144879217 1378778660 /nfs/dbraw/zinc/77/86/60/1378778660.db2.gz OCDHGEMMTJSYTN-UHFFFAOYSA-N 0 0 345.418 3.084 10 10 EGCERN CC(=O)Nc1ccc(OC(=O)c2sc3ncccc3c2N)c(F)c1 ZINC001148387411 1379162553 /nfs/dbraw/zinc/16/25/53/1379162553.db2.gz CJUKWJTYHNSLBG-UHFFFAOYSA-N 0 0 345.355 3.195 10 10 EGCERN COc1cccc(-c2cc(C(=O)N(C)Cc3ccccc3O)on2)c1 ZINC001149871547 1379458326 /nfs/dbraw/zinc/45/83/26/1379458326.db2.gz HAXYGSJJRJCWBX-UHFFFAOYSA-N 0 0 338.363 3.328 10 10 EGCERN CCc1nc2ccccc2c(C(=O)NCc2ccc(O)c(O)c2)c1C ZINC001150379009 1379541749 /nfs/dbraw/zinc/54/17/49/1379541749.db2.gz ZQQXJWIKOWFCOM-UHFFFAOYSA-N 0 0 336.391 3.447 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)NCC1(c2ccccc2Cl)CC1 ZINC001153614867 1380103934 /nfs/dbraw/zinc/10/39/34/1380103934.db2.gz MESMVEJBMOBYEQ-UHFFFAOYSA-N 0 0 331.799 3.142 10 10 EGCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)ccc1Br ZINC001153884648 1380149640 /nfs/dbraw/zinc/14/96/40/1380149640.db2.gz DRAJJJUIBNMGQP-UHFFFAOYSA-N 0 0 336.185 3.099 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCCc2ccc3[nH]ccc3c2)cc1 ZINC001155235532 1380427613 /nfs/dbraw/zinc/42/76/13/1380427613.db2.gz YJZBTHAOVMINGU-UHFFFAOYSA-N 0 0 335.367 3.303 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccc(OC2CCCC2)cc1 ZINC001156881246 1380716514 /nfs/dbraw/zinc/71/65/14/1380716514.db2.gz VSMRWFYKUKMETC-UHFFFAOYSA-N 0 0 327.380 3.349 10 10 EGCERN CC1(C)CCC[C@](O)(C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001157050457 1380761149 /nfs/dbraw/zinc/76/11/49/1380761149.db2.gz GZPVNMYUMUUIQN-HXUWFJFHSA-N 0 0 327.424 3.493 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(O)ccc1Cl ZINC001157103235 1380776344 /nfs/dbraw/zinc/77/63/44/1380776344.db2.gz YADCGLWLNUCKGM-UHFFFAOYSA-N 0 0 326.776 3.167 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@@H]1CCCC[C@@H]1CC ZINC001157102678 1380776488 /nfs/dbraw/zinc/77/64/88/1380776488.db2.gz OWDYENPJAKXOBV-WMLDXEAASA-N 0 0 340.460 3.480 10 10 EGCERN Cc1cc(CNC(=O)[C@H]2C[C@H](C)CO2)c(C)n1-c1cccc(C)c1 ZINC001287660267 1381318658 /nfs/dbraw/zinc/31/86/58/1381318658.db2.gz FCQPLIVDAAYUHA-IFXJQAMLSA-N 0 0 326.440 3.444 10 10 EGCERN O=C(c1cc2cccn2cn1)N(Cc1ccco1)Cc1ccccc1O ZINC001294672461 1382483089 /nfs/dbraw/zinc/48/30/89/1382483089.db2.gz RSGFAGIQQLSPJG-UHFFFAOYSA-N 0 0 347.374 3.476 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cc(F)ccc1-c1ccoc1 ZINC001162279126 1382718896 /nfs/dbraw/zinc/71/88/96/1382718896.db2.gz RDMOPUJYFIHTJE-UHFFFAOYSA-N 0 0 327.311 3.427 10 10 EGCERN CCN(CC1CC1)c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001295679313 1382774425 /nfs/dbraw/zinc/77/44/25/1382774425.db2.gz KGNVQMMDWFXTSP-UHFFFAOYSA-N 0 0 327.476 3.246 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCOC1 ZINC001163437049 1383051445 /nfs/dbraw/zinc/05/14/45/1383051445.db2.gz JBCCZINPVZIXLE-CQSZACIVSA-N 0 0 326.352 3.417 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001297004839 1383104782 /nfs/dbraw/zinc/10/47/82/1383104782.db2.gz AFWCHDGZEZPGTC-UHFFFAOYSA-N 0 0 343.383 3.325 10 10 EGCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C(C)C ZINC001297061905 1383110968 /nfs/dbraw/zinc/11/09/68/1383110968.db2.gz VAOKCBGLWISKLZ-JKSUJKDBSA-N 0 0 344.459 3.374 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(-c2csnn2)cc1 ZINC001165508841 1383305527 /nfs/dbraw/zinc/30/55/27/1383305527.db2.gz WCKCEJOTYJHGJV-UHFFFAOYSA-N 0 0 345.811 3.494 10 10 EGCERN COc1ccc([C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001165688391 1383325954 /nfs/dbraw/zinc/32/59/54/1383325954.db2.gz BQZHZBQIDYOGIH-OAHLLOKOSA-N 0 0 345.370 3.152 10 10 EGCERN CCCc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)n[nH]1 ZINC001298830454 1383435400 /nfs/dbraw/zinc/43/54/00/1383435400.db2.gz UUGANGQYDSLHLG-UHFFFAOYSA-N 0 0 346.394 3.324 10 10 EGCERN COC(=O)c1cc(OCCOCc2ccccc2)ccc1N(C)C ZINC001166714760 1383465829 /nfs/dbraw/zinc/46/58/29/1383465829.db2.gz YWFNIPIPVDSKOM-UHFFFAOYSA-N 0 0 329.396 3.135 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2noc3c2CCc2ccccc2-3)c1 ZINC001167293745 1383587007 /nfs/dbraw/zinc/58/70/07/1383587007.db2.gz QLYWUWXTXBLOMC-UHFFFAOYSA-N 0 0 334.375 3.384 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NOCC2CCC2)c1 ZINC001167369004 1383611545 /nfs/dbraw/zinc/61/15/45/1383611545.db2.gz NRPXWZWMMVRUQE-UHFFFAOYSA-N 0 0 326.396 3.368 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C(F)(F)F)c(F)c1 ZINC001167427243 1383630963 /nfs/dbraw/zinc/63/09/63/1383630963.db2.gz DEPLWUMQASBZBA-UHFFFAOYSA-N 0 0 329.249 3.437 10 10 EGCERN Cc1ccc(O)c(CNC(=O)C2=Cc3ccccc3O[C@H]2C(F)F)c1 ZINC001301046790 1383692200 /nfs/dbraw/zinc/69/22/00/1383692200.db2.gz KSKKVHXLJAODNH-QGZVFWFLSA-N 0 0 345.345 3.427 10 10 EGCERN Cc1cc(CC(=O)N2CC[C@@H](C)[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC001167671055 1383706654 /nfs/dbraw/zinc/70/66/54/1383706654.db2.gz KRUBERCMCPDBIA-DNVCBOLYSA-N 0 0 340.467 3.114 10 10 EGCERN CCOC(=O)[C@]1(NCc2ccc(OC)c(C)c2)CCc2ccccc21 ZINC001167778446 1383738304 /nfs/dbraw/zinc/73/83/04/1383738304.db2.gz GPOSPCHMNKSJQW-NRFANRHFSA-N 0 0 339.435 3.498 10 10 EGCERN CCn1ncnc1-c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001302533029 1383757094 /nfs/dbraw/zinc/75/70/94/1383757094.db2.gz YRXJQMPFJYRSLO-CYBMUJFWSA-N 0 0 336.395 3.162 10 10 EGCERN C[C@H](NC(=O)c1cccc(CNc2ccncn2)c1)c1ccccc1O ZINC001302538171 1383757728 /nfs/dbraw/zinc/75/77/28/1383757728.db2.gz IZUMFAWBQCVCJZ-AWEZNQCLSA-N 0 0 348.406 3.285 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1ccc(OC2CCCC2)cc1 ZINC001303223112 1383788098 /nfs/dbraw/zinc/78/80/98/1383788098.db2.gz AOXYCLPQYAEYQW-UHFFFAOYSA-N 0 0 327.380 3.349 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccccc1Oc1cccnc1 ZINC001304051097 1383825290 /nfs/dbraw/zinc/82/52/90/1383825290.db2.gz UHWPLGJFLCDVJR-UHFFFAOYSA-N 0 0 336.347 3.215 10 10 EGCERN CCc1noc(CCCC(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001304089628 1383828675 /nfs/dbraw/zinc/82/86/75/1383828675.db2.gz DPQCDDDMALGWLT-UHFFFAOYSA-N 0 0 339.395 3.130 10 10 EGCERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN(C)c1ccc2c(c1)OCO2 ZINC001168216009 1383845609 /nfs/dbraw/zinc/84/56/09/1383845609.db2.gz YZIQOUQGBXTRRJ-ZIAGYGMSSA-N 0 0 348.443 3.355 10 10 EGCERN CCCOC1(CNC(=O)c2c(F)ccc(O)c2O)CCCCC1 ZINC001306679528 1383901107 /nfs/dbraw/zinc/90/11/07/1383901107.db2.gz QABNBEQNKOTOFA-UHFFFAOYSA-N 0 0 325.380 3.096 10 10 EGCERN CN(C)c1ccc(Cn2c(=O)onc2-c2ccc(F)c(Cl)c2)cc1 ZINC001307338286 1383973712 /nfs/dbraw/zinc/97/37/12/1383973712.db2.gz VUZIWRMWCWDVMO-UHFFFAOYSA-N 0 0 347.777 3.410 10 10 EGCERN Cc1cc(C(=O)Cn2cccc(F)c2=O)c(C)n1-c1ccc(F)cc1 ZINC001307356795 1383976654 /nfs/dbraw/zinc/97/66/54/1383976654.db2.gz SUOHZSUQZPEIAC-UHFFFAOYSA-N 0 0 342.345 3.417 10 10 EGCERN COC(=O)c1cc(OCc2cn3cccc(C)c3n2)ccc1N(C)C ZINC001307389635 1383980966 /nfs/dbraw/zinc/98/09/66/1383980966.db2.gz VILRGFCFAAYVAG-UHFFFAOYSA-N 0 0 339.395 3.074 10 10 EGCERN C[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1[N+](=O)[O-] ZINC001313350270 1384412440 /nfs/dbraw/zinc/41/24/40/1384412440.db2.gz CWJFZOJDAMPMOO-LLVKDONJSA-N 0 0 347.346 3.042 10 10 EGCERN COC(=O)C1=C(C)O[C@@H](CN(C)c2ccc(-c3nccs3)cc2)C1 ZINC001170990730 1384425723 /nfs/dbraw/zinc/42/57/23/1384425723.db2.gz ORNWKAQTARFDMY-OAHLLOKOSA-N 0 0 344.436 3.482 10 10 EGCERN Cc1ccc(C)c(C2=NO[C@H](C(=O)N[C@@H](C)c3ccccc3O)C2)c1 ZINC001171729419 1384616444 /nfs/dbraw/zinc/61/64/44/1384616444.db2.gz BVPBJYFPTNFEOK-LIRRHRJNSA-N 0 0 338.407 3.379 10 10 EGCERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O ZINC001171730222 1384616681 /nfs/dbraw/zinc/61/66/81/1384616681.db2.gz MLEOVJCUTHVBPS-JTQLQIEISA-N 0 0 334.759 3.374 10 10 EGCERN O=C(NCc1cccc(O)c1O)c1ccnc2cc(Cl)ccc21 ZINC001176576969 1385630234 /nfs/dbraw/zinc/63/02/34/1385630234.db2.gz VYOJIRSROOLWGW-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN COc1ccc(N2CCCN(C(=O)c3c(C)cccc3F)CC2)cc1 ZINC001319117456 1385965653 /nfs/dbraw/zinc/96/56/53/1385965653.db2.gz LBVBMAZUHPIYQP-UHFFFAOYSA-N 0 0 342.414 3.495 10 10 EGCERN O=C(CNc1cccc(C(F)(F)F)c1)NCc1c(O)cccc1F ZINC001178413213 1386210480 /nfs/dbraw/zinc/21/04/80/1386210480.db2.gz OSWCZSXHNMLNPM-UHFFFAOYSA-N 0 0 342.292 3.278 10 10 EGCERN CCOc1ccc(N2CCN(Cc3ncc(C4CC4)o3)CC2)cc1 ZINC001319848383 1386332972 /nfs/dbraw/zinc/33/29/72/1386332972.db2.gz VYPJLDGKYSECCQ-UHFFFAOYSA-N 0 0 327.428 3.273 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C[C@H](C)n3cccc3)CC2)cc1 ZINC001320394242 1386598359 /nfs/dbraw/zinc/59/83/59/1386598359.db2.gz NDQVAPVUHGIKOA-KRWDZBQOSA-N 0 0 341.455 3.187 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)c1 ZINC001320822559 1386729116 /nfs/dbraw/zinc/72/91/16/1386729116.db2.gz LZLZZGFULWHSHY-HUUCEWRRSA-N 0 0 341.293 3.426 10 10 EGCERN COc1cccc(SCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001180410452 1386787408 /nfs/dbraw/zinc/78/74/08/1386787408.db2.gz QEXYRMLBQBVOIF-UHFFFAOYSA-N 0 0 337.828 3.463 10 10 EGCERN Cc1cccc(F)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001322557452 1387205359 /nfs/dbraw/zinc/20/53/59/1387205359.db2.gz OTXFGKKMCNXPFE-UHFFFAOYSA-N 0 0 342.414 3.243 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCOC[C@@H]1C ZINC001329987776 1389280545 /nfs/dbraw/zinc/28/05/45/1389280545.db2.gz ZUAIKFWXRHTXGD-UGSOOPFHSA-N 0 0 340.423 3.061 10 10 EGCERN CC(C)(C(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC001347065191 1390998041 /nfs/dbraw/zinc/99/80/41/1390998041.db2.gz CTTQWBISMCLHPB-UHFFFAOYSA-N 0 0 340.139 3.359 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC001348090499 1391171778 /nfs/dbraw/zinc/17/17/78/1391171778.db2.gz YKXXPVIJIIHSHW-MSOLQXFVSA-N 0 0 345.512 3.466 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c(F)ccnc1F ZINC001349117243 1391303787 /nfs/dbraw/zinc/30/37/87/1391303787.db2.gz IVQAAQQHBKTFIK-UHFFFAOYSA-N 0 0 331.366 3.232 10 10 EGCERN O=C(NCCCSc1nccs1)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001350501752 1391472020 /nfs/dbraw/zinc/47/20/20/1391472020.db2.gz NXPVEIMCUGWGNZ-MXWKQRLJSA-N 0 0 347.456 3.358 10 10 EGCERN C[C@@H](Oc1ccccn1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351162010 1391606420 /nfs/dbraw/zinc/60/64/20/1391606420.db2.gz BIFOIUOTGDOROY-MRXNPFEDSA-N 0 0 339.439 3.108 10 10 EGCERN CC(C)c1ncncc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352616121 1391823585 /nfs/dbraw/zinc/82/35/85/1391823585.db2.gz XUDQTESQWVGEGD-UHFFFAOYSA-N 0 0 338.455 3.472 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)C(C)C)c1O ZINC001687604968 1396420521 /nfs/dbraw/zinc/42/05/21/1396420521.db2.gz AVCHPYTZSPULEQ-KRWDZBQOSA-N 0 0 342.439 3.467 10 10 EGCERN CO[C@H](Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O)C1CC1 ZINC001697146763 1406124097 /nfs/dbraw/zinc/12/40/97/1406124097.db2.gz NYYFJPXEIBWHAC-QGZVFWFLSA-N 0 0 344.459 3.169 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCCCCC1 ZINC001707861254 1417384299 /nfs/dbraw/zinc/38/42/99/1417384299.db2.gz BHIDLXFVPXHNGP-UHFFFAOYSA-N 0 0 344.459 3.014 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001726375121 1427052924 /nfs/dbraw/zinc/05/29/24/1427052924.db2.gz HFULHIUEXNMLSK-GJZGRUSLSA-N 0 0 339.487 3.252 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1CCC1CC1 ZINC001729418865 1427166331 /nfs/dbraw/zinc/16/63/31/1427166331.db2.gz LJFUGXLDRQVRAI-UHFFFAOYSA-N 0 0 349.438 3.482 10 10 EGCERN C[C@H]1C[C@@H]1n1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001742975388 1439533147 /nfs/dbraw/zinc/53/31/47/1439533147.db2.gz BXUDNRWOMWYSNX-YOEHRIQHSA-N 0 0 349.438 3.187 10 10 EGCERN C[C@@H]1C[C@H]1n1c(-c2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001762767804 1441378261 /nfs/dbraw/zinc/37/82/61/1441378261.db2.gz JITNURWPIPSXBC-CZUORRHYSA-N 0 0 335.411 3.263 10 10 EGCERN CCN(C)c1nnc(CC2CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001766404582 1441401626 /nfs/dbraw/zinc/40/16/26/1441401626.db2.gz QCEQWLXHIBHURE-UHFFFAOYSA-N 0 0 339.487 3.117 10 10 EGCERN O=C([O-])[C@H](Cc1c[nH]cn1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004313809 210167913 /nfs/dbraw/zinc/16/79/13/210167913.db2.gz WEKACGMBIJABEO-KRWDZBQOSA-N 0 0 332.363 3.219 10 10 EGCERN Cc1cc(CNC(=O)CCCc2nc(C(C)C)no2)ccc1N(C)C ZINC000069737096 215551132 /nfs/dbraw/zinc/55/11/32/215551132.db2.gz BKQILOXIFCPYQZ-UHFFFAOYSA-N 0 0 344.459 3.207 10 10 EGCERN CCOc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1F ZINC000072268269 216088995 /nfs/dbraw/zinc/08/89/95/216088995.db2.gz QTNNVPOGABFIEO-UHFFFAOYSA-N 0 0 332.375 3.272 10 10 EGCERN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N)cc1 ZINC000022220695 212282794 /nfs/dbraw/zinc/28/27/94/212282794.db2.gz DLANWNMIOKLGOD-SNVBAGLBSA-N 0 0 335.201 3.437 10 10 EGCERN O=C1c2ccccc2C(=O)c2c(N3CCCCC3)ccc([N+](=O)[O-])c21 ZINC000004981483 285022546 /nfs/dbraw/zinc/02/25/46/285022546.db2.gz SAWJRGSVGPDZCM-UHFFFAOYSA-N 0 0 336.347 3.361 10 10 EGCERN O[C@H](CN1CCCc2cc(OC(F)F)ccc21)CC(F)(F)F ZINC000189614049 455223745 /nfs/dbraw/zinc/22/37/45/455223745.db2.gz WVIQTAHACLOEKZ-JTQLQIEISA-N 0 0 325.277 3.354 10 10 EGCERN O=C(/C=C/c1cncc(F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189787297 455240716 /nfs/dbraw/zinc/24/07/16/455240716.db2.gz AZMOEMBFPZXCGU-AATRIKPKSA-N 0 0 338.382 3.329 10 10 EGCERN Cn1ncc2c1ncnc2N1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000014300492 453530154 /nfs/dbraw/zinc/53/01/54/453530154.db2.gz PPLJYBMHJZENCB-UHFFFAOYSA-N 0 0 330.395 3.138 10 10 EGCERN C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cc2c(cc1O)OCO2 ZINC000066795237 453874332 /nfs/dbraw/zinc/87/43/32/453874332.db2.gz YLECFQPEKZOYAR-DJJJIMSYSA-N 0 0 327.380 3.083 10 10 EGCERN COc1cc(/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)ccc1O ZINC000033871681 453917148 /nfs/dbraw/zinc/91/71/48/453917148.db2.gz MLYIUXBFWRIVTK-ZRRZQRFHSA-N 0 0 332.425 3.103 10 10 EGCERN COc1ccc(N2CCN(c3nc4ccccc4nc3C)CC2)cc1 ZINC000044782071 454119581 /nfs/dbraw/zinc/11/95/81/454119581.db2.gz HTZQTPBECLZRFA-UHFFFAOYSA-N 0 0 334.423 3.273 10 10 EGCERN c1csc(SC[C@@H]2Cn3c(nnc3-c3cccnc3)S2)n1 ZINC000095465696 454217452 /nfs/dbraw/zinc/21/74/52/454217452.db2.gz XKADCGLMYXWUMR-JTQLQIEISA-N 0 0 333.467 3.063 10 10 EGCERN CCC(C)(CC)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000121086298 454388572 /nfs/dbraw/zinc/38/85/72/454388572.db2.gz GADPXKFFYMBBRD-UHFFFAOYSA-N 0 0 337.439 3.040 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000073585358 454454185 /nfs/dbraw/zinc/45/41/85/454454185.db2.gz SKDITLUDNVSZFJ-NWDGAFQWSA-N 0 0 346.349 3.321 10 10 EGCERN CN(Cc1ccccc1O)C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113418773 454926605 /nfs/dbraw/zinc/92/66/05/454926605.db2.gz HYBUIIBCOBNQNA-UHFFFAOYSA-N 0 0 340.354 3.387 10 10 EGCERN CCN(CC)C(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000170610919 454941212 /nfs/dbraw/zinc/94/12/12/454941212.db2.gz APHUDCYMPWPPKS-UHFFFAOYSA-N 0 0 328.412 3.347 10 10 EGCERN CN(C)c1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)cc1F ZINC000127169286 454943094 /nfs/dbraw/zinc/94/30/94/454943094.db2.gz XSMWEMXAUOHILI-IBGZPJMESA-N 0 0 330.403 3.171 10 10 EGCERN Oc1ccccc1C[N@@H+](Cc1cnn2ccccc12)C[C@@H]1CCCO1 ZINC000179570727 455059463 /nfs/dbraw/zinc/05/94/63/455059463.db2.gz VTQUVUYJLHXPQJ-SFHVURJKSA-N 0 0 337.423 3.221 10 10 EGCERN COc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000179613090 455061770 /nfs/dbraw/zinc/06/17/70/455061770.db2.gz QQPZYTGQIATRPS-UHFFFAOYSA-N 0 0 346.471 3.015 10 10 EGCERN Cc1cc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000179645576 455063811 /nfs/dbraw/zinc/06/38/11/455063811.db2.gz VAZDBDMDSNNXRS-UHFFFAOYSA-N 0 0 349.818 3.193 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128532730 455065097 /nfs/dbraw/zinc/06/50/97/455065097.db2.gz JQBRNSUBPCSGPC-LLVKDONJSA-N 0 0 341.242 3.203 10 10 EGCERN COc1ccc(N2CCN(c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000156912531 455156381 /nfs/dbraw/zinc/15/63/81/455156381.db2.gz AZLLDHMPLOJTRU-UHFFFAOYSA-N 0 0 336.395 3.072 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccc(C)o3)C2)c1O ZINC000158967362 455341633 /nfs/dbraw/zinc/34/16/33/455341633.db2.gz XVEGKFZTJKKHLV-KRWDZBQOSA-N 0 0 333.359 3.209 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2noc(C)n2)c(C)n1-c1ccc(F)cc1 ZINC000181806228 455384458 /nfs/dbraw/zinc/38/44/58/455384458.db2.gz WELLGVGYIZOQRN-UHFFFAOYSA-N 0 0 342.374 3.197 10 10 EGCERN CC(C)Oc1ccc(N(C)Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000191593576 455501706 /nfs/dbraw/zinc/50/17/06/455501706.db2.gz DEADEDUFKJDJNH-UHFFFAOYSA-N 0 0 326.400 3.499 10 10 EGCERN CCN(C)c1ccc([C@H](C)N[C@H]2CCCn3nc(COC)nc32)cc1 ZINC000246907591 455535152 /nfs/dbraw/zinc/53/51/52/455535152.db2.gz FNGJWDXVPZZELA-YOEHRIQHSA-N 0 0 343.475 3.066 10 10 EGCERN CC[C@@H](Nc1cccc2c1CCN2C(=O)COC)c1ccccc1O ZINC000186401751 455761140 /nfs/dbraw/zinc/76/11/40/455761140.db2.gz GXTZKRLAYXSRJI-MRXNPFEDSA-N 0 0 340.423 3.491 10 10 EGCERN COc1cccc(Cl)c1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186435433 455767911 /nfs/dbraw/zinc/76/79/11/455767911.db2.gz HHJCPTVZPQEGDW-NSHDSACASA-N 0 0 349.814 3.050 10 10 EGCERN O=C(NCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccs1 ZINC000293699556 455794275 /nfs/dbraw/zinc/79/42/75/455794275.db2.gz SYXYSNKMNWRAAU-UHFFFAOYSA-N 0 0 342.823 3.156 10 10 EGCERN Nc1c(Cl)cc(N2C(=O)[C@@H]3[C@@H]4CCC[C@H]4CN3C2=O)cc1Cl ZINC000278274020 455803606 /nfs/dbraw/zinc/80/36/06/455803606.db2.gz YRTDOCCNGIODEQ-HBSDOPKDSA-N 0 0 340.210 3.143 10 10 EGCERN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000294410552 455815229 /nfs/dbraw/zinc/81/52/29/455815229.db2.gz WKKKFRINJJUXLL-WDEREUQCSA-N 0 0 328.815 3.064 10 10 EGCERN CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1[O-] ZINC000285494283 455857349 /nfs/dbraw/zinc/85/73/49/455857349.db2.gz CFMWDKZBGLKVOK-GOEBONIOSA-N 0 0 330.407 3.031 10 10 EGCERN CC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(F)cc1[O-] ZINC000287567765 456072696 /nfs/dbraw/zinc/07/26/96/456072696.db2.gz QKYIMAOZAIEFMK-RDJZCZTQSA-N 0 0 346.450 3.283 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C2CCC2)cn1 ZINC000297009299 456091322 /nfs/dbraw/zinc/09/13/22/456091322.db2.gz MALMTIZFTWJCCY-UHFFFAOYSA-N 0 0 327.384 3.125 10 10 EGCERN CCN(CC)c1ccc(CNc2nccn(C(F)F)c2=O)cc1F ZINC000288846186 456107880 /nfs/dbraw/zinc/10/78/80/456107880.db2.gz KCWDMPNDVSTSBD-UHFFFAOYSA-N 0 0 340.349 3.236 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCC3(C2)Oc2ccccc2O3)c1O ZINC000289057866 456112895 /nfs/dbraw/zinc/11/28/95/456112895.db2.gz QXSLSDMMWPZQPX-UHFFFAOYSA-N 0 0 343.354 3.107 10 10 EGCERN CC(C)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301680000 456184524 /nfs/dbraw/zinc/18/45/24/456184524.db2.gz JEFUZZNTMOWALG-LBPRGKRZSA-N 0 0 333.388 3.188 10 10 EGCERN CC(C)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301679999 456185021 /nfs/dbraw/zinc/18/50/21/456185021.db2.gz JEFUZZNTMOWALG-GFCCVEGCSA-N 0 0 333.388 3.188 10 10 EGCERN COc1cc(N(C)CCCC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000273342896 456223832 /nfs/dbraw/zinc/22/38/32/456223832.db2.gz OBEBASKUXGWEHG-UHFFFAOYSA-N 0 0 339.432 3.271 10 10 EGCERN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273415952 456228257 /nfs/dbraw/zinc/22/82/57/456228257.db2.gz QYADXNRTBJUNQA-ZDUSSCGKSA-N 0 0 344.415 3.392 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](CC(F)(F)F)C2)cc1OC ZINC000277534436 456854425 /nfs/dbraw/zinc/85/44/25/456854425.db2.gz WFGYJVIFEHWITO-VIFPVBQESA-N 0 0 334.294 3.391 10 10 EGCERN CSc1cccc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)c1 ZINC000427120147 457945023 /nfs/dbraw/zinc/94/50/23/457945023.db2.gz ADCBOGHGJCKMSS-UHFFFAOYSA-N 0 0 326.425 3.414 10 10 EGCERN CC(C)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435654800 458180167 /nfs/dbraw/zinc/18/01/67/458180167.db2.gz MDSCXMSZWYIKFU-UHFFFAOYSA-N 0 0 327.472 3.275 10 10 EGCERN Cc1cc(Cl)cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000372127451 458200412 /nfs/dbraw/zinc/20/04/12/458200412.db2.gz CAUNYLRTKXEDOV-UHFFFAOYSA-N 0 0 325.836 3.126 10 10 EGCERN CO[C@@H](COc1ccc2c(c1)c1c(n2C)CCCC1)[C@H]1CCOC1 ZINC000664104831 461943582 /nfs/dbraw/zinc/94/35/82/461943582.db2.gz MWWZZYANVIUSBC-XOBRGWDASA-N 0 0 329.440 3.487 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000513685374 548015944 /nfs/dbraw/zinc/01/59/44/548015944.db2.gz ZBFUWFZTWIQOLA-RYUDHWBXSA-N 0 0 342.361 3.457 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000734406533 575481665 /nfs/dbraw/zinc/48/16/65/575481665.db2.gz ZATGPSAOCIDIOW-UHFFFAOYSA-N 0 0 346.862 3.105 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000740849211 576629103 /nfs/dbraw/zinc/62/91/03/576629103.db2.gz UIODWRNNCQEKHU-ZBFHGGJFSA-N 0 0 332.469 3.437 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000052605195 1291709973 /nfs/dbraw/zinc/70/99/73/1291709973.db2.gz BRVJXPTZLJCOCM-UHFFFAOYSA-N 0 0 349.434 3.447 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000115979958 1293198715 /nfs/dbraw/zinc/19/87/15/1293198715.db2.gz HNZYIETXHADNQP-CABCVRRESA-N 0 0 330.378 3.451 10 10 EGCERN COc1cccc2[nH]cc(CC[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])c21 ZINC000180452695 1294888800 /nfs/dbraw/zinc/88/88/00/1294888800.db2.gz DKPDQFRCDQQDIY-UHFFFAOYSA-N 0 0 341.367 3.123 10 10 EGCERN COc1cc(C)cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000182951512 1295087286 /nfs/dbraw/zinc/08/72/86/1295087286.db2.gz XDGFTIBLFJPLEQ-SFHVURJKSA-N 0 0 327.424 3.153 10 10 EGCERN CC(C)(C)OC1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000870491287 1295902458 /nfs/dbraw/zinc/90/24/58/1295902458.db2.gz NSKFNXJUWMVERO-WZUFQYTHSA-N 0 0 333.428 3.354 10 10 EGCERN CC1(C)COc2cc(NC(=O)C3=CC(=O)CS3)ccc2NC1=O ZINC000871195461 1296267415 /nfs/dbraw/zinc/26/74/15/1296267415.db2.gz LZIWKOQGRXCLPP-UHFFFAOYSA-N 0 0 332.381 3.063 10 10 EGCERN CC(=O)c1ccc(OCCCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198114 1296268905 /nfs/dbraw/zinc/26/89/05/1296268905.db2.gz GSYHEWROMZESOL-UHFFFAOYSA-N 0 0 339.391 3.296 10 10 EGCERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200579 1296270015 /nfs/dbraw/zinc/27/00/15/1296270015.db2.gz HAJSCIMDIMXMAV-HNNXBMFYSA-N 0 0 346.427 3.024 10 10 EGCERN CN(C(=O)OC(C)(C)C)C1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000871205165 1296272415 /nfs/dbraw/zinc/27/24/15/1296272415.db2.gz PSVINLYTATXWQW-UHFFFAOYSA-N 0 0 346.427 3.024 10 10 EGCERN COc1ccc(CC(=O)N2Cc3cccc(O)c3C2)c(Cl)c1OC ZINC000871205197 1296272775 /nfs/dbraw/zinc/27/27/75/1296272775.db2.gz RAWQGSLGRRRUNG-UHFFFAOYSA-N 0 0 347.798 3.148 10 10 EGCERN CCOC(=O)c1ccccc1NC(=S)NCc1cc(C)ccn1 ZINC000244369882 1296300688 /nfs/dbraw/zinc/30/06/88/1296300688.db2.gz XYFZWOQKFHWNMX-UHFFFAOYSA-N 0 0 329.425 3.053 10 10 EGCERN CC(=O)C1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000873044749 1297243035 /nfs/dbraw/zinc/24/30/35/1297243035.db2.gz ACWNFDYNQQZHEZ-OAHLLOKOSA-N 0 0 345.487 3.003 10 10 EGCERN C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Br)c1[O-] ZINC000708215158 1298237672 /nfs/dbraw/zinc/23/76/72/1298237672.db2.gz IJAAFHUJSXRPAM-TXEJJXNPSA-N 0 0 345.668 3.087 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC(F)(F)C(F)F ZINC000891687184 1305134680 /nfs/dbraw/zinc/13/46/80/1305134680.db2.gz SAQLGJYUQXYLSV-NSHDSACASA-N 0 0 334.357 3.399 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000894665469 1309012357 /nfs/dbraw/zinc/01/23/57/1309012357.db2.gz BOQZTGCFQKRZKA-UHFFFAOYSA-N 0 0 344.224 3.152 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2cncc3nc[nH]c32)cc1 ZINC000895493662 1309368642 /nfs/dbraw/zinc/36/86/42/1309368642.db2.gz OBQAMKGQEKSBAA-UHFFFAOYSA-N 0 0 337.427 3.076 10 10 EGCERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000895848475 1309556962 /nfs/dbraw/zinc/55/69/62/1309556962.db2.gz RJYRZGYFJUJHQO-IUODEOHRSA-N 0 0 340.261 3.464 10 10 EGCERN CCn1nc(C)c(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1C ZINC000896123132 1309709311 /nfs/dbraw/zinc/70/93/11/1309709311.db2.gz YHHMUQVJIRDYQK-UHFFFAOYSA-N 0 0 345.424 3.076 10 10 EGCERN O=C(NCC1(C(F)(F)F)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897744770 1310452901 /nfs/dbraw/zinc/45/29/01/1310452901.db2.gz YCNRUSOZLADEDI-UHFFFAOYSA-N 0 0 331.315 3.385 10 10 EGCERN CC1(C)CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)OC1 ZINC000899199666 1310976557 /nfs/dbraw/zinc/97/65/57/1310976557.db2.gz JQAPWMJHIFJAOD-NSHDSACASA-N 0 0 335.425 3.248 10 10 EGCERN COc1ccc(N2CCCN(Cc3nc(C(C)C)ns3)CC2)cc1 ZINC000929316073 1328565931 /nfs/dbraw/zinc/56/59/31/1328565931.db2.gz OMWDMCAPWFWQSJ-UHFFFAOYSA-N 0 0 346.500 3.382 10 10 EGCERN CC[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(F)cc1[O-] ZINC000857877542 1328612603 /nfs/dbraw/zinc/61/26/03/1328612603.db2.gz OUEZNSJOKDMCFB-FUHWJXTLSA-N 0 0 328.387 3.285 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000929537736 1328629415 /nfs/dbraw/zinc/62/94/15/1328629415.db2.gz SBSHGOCPDAYNKV-REPLKXPHSA-N 0 0 342.483 3.308 10 10 EGCERN Cc1cc(C(=O)NC[C@H]2CCc3cccnc32)c(C)n1-c1ccccn1 ZINC000857967377 1328643461 /nfs/dbraw/zinc/64/34/61/1328643461.db2.gz BTLBJBHOKGUYET-QGZVFWFLSA-N 0 0 346.434 3.344 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000858214923 1328713466 /nfs/dbraw/zinc/71/34/66/1328713466.db2.gz WKNQFHGMSDCFJL-USXIJHARSA-N 0 0 330.771 3.382 10 10 EGCERN CC[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858523916 1328787657 /nfs/dbraw/zinc/78/76/57/1328787657.db2.gz YRYRDUPNFPNLEL-MFKMUULPSA-N 0 0 333.259 3.070 10 10 EGCERN C[C@@H](NC(=O)NCCC1CC=CC1)c1ccc(N2CCOCC2)cc1 ZINC000914400250 1319317932 /nfs/dbraw/zinc/31/79/32/1319317932.db2.gz GUUKXKXBFHWDLJ-MRXNPFEDSA-N 0 0 343.471 3.240 10 10 EGCERN COC(=O)c1cnc(SC[C@@H]2CC[C@H](C(F)(F)F)O2)s1 ZINC000917779059 1319872001 /nfs/dbraw/zinc/87/20/01/1319872001.db2.gz WZUJPIRJDLKXJH-POYBYMJQSA-N 0 0 327.349 3.132 10 10 EGCERN Cc1cncn1CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000858830633 1328870315 /nfs/dbraw/zinc/87/03/15/1328870315.db2.gz XRWZFCTWVXPESA-UHFFFAOYSA-N 0 0 340.471 3.277 10 10 EGCERN C/C=C/CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000858888518 1328883523 /nfs/dbraw/zinc/88/35/23/1328883523.db2.gz NFCDHQPWLPLIIU-IBUXWKBASA-N 0 0 339.386 3.132 10 10 EGCERN Cc1nc2c(s1)[C@@H](NC(=O)NCc1c(O)cccc1F)CCC2 ZINC000921867203 1322415370 /nfs/dbraw/zinc/41/53/70/1322415370.db2.gz WDHQBRCDPLDITH-ZDUSSCGKSA-N 0 0 335.404 3.173 10 10 EGCERN CC(C)n1cc2c(n1)[C@@H](NC(=O)NCc1c(O)cccc1F)CCC2 ZINC000921997039 1322436778 /nfs/dbraw/zinc/43/67/78/1322436778.db2.gz PHKYAVZFBGHKFN-HNNXBMFYSA-N 0 0 346.406 3.186 10 10 EGCERN CSCC1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000922678423 1322587131 /nfs/dbraw/zinc/58/71/31/1322587131.db2.gz JYBOEJSFACEZEY-UHFFFAOYSA-N 0 0 326.437 3.252 10 10 EGCERN CC1(C)C[C@H]1C(=O)NCc1cc(NC(=O)[C@@H]2CC2(C)C)ccc1O ZINC000923122796 1322696690 /nfs/dbraw/zinc/69/66/90/1322696690.db2.gz STCIQETUGQRLHA-KBPBESRZSA-N 0 0 330.428 3.039 10 10 EGCERN COC1CCN(c2ccc(C[N@H+]3Cc4c[nH]nc4[C@@H](C)C3)cc2)CC1 ZINC000931462018 1329123709 /nfs/dbraw/zinc/12/37/09/1329123709.db2.gz IVFRPNKNOQLLAE-HNNXBMFYSA-N 0 0 340.471 3.144 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000926308622 1325510955 /nfs/dbraw/zinc/51/09/55/1325510955.db2.gz GUPVMRMWMMVXOC-JSGCOSHPSA-N 0 0 346.349 3.034 10 10 EGCERN COc1cc(C)c(NC(=O)NCc2cc(C)ccc2O)cc1OC ZINC000860282759 1329300892 /nfs/dbraw/zinc/30/08/92/1329300892.db2.gz UUTBKRQTSOWGFP-UHFFFAOYSA-N 0 0 330.384 3.348 10 10 EGCERN O=C(NCCC1CC=CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000926709103 1327678124 /nfs/dbraw/zinc/67/81/24/1327678124.db2.gz ZCLVAOHRLNRHHH-GOSISDBHSA-N 0 0 344.455 3.439 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]2CCC3(CCC3)O2)c1 ZINC000927730722 1328122659 /nfs/dbraw/zinc/12/26/59/1328122659.db2.gz RWIFVNMFYJZAOQ-KGLIPLIRSA-N 0 0 348.443 3.253 10 10 EGCERN COc1ccc(C(=O)C[C@@H](C)C(=O)NCc2c(O)cccc2F)cc1 ZINC000928707735 1328405219 /nfs/dbraw/zinc/40/52/19/1328405219.db2.gz HKVGETINNGGFOU-GFCCVEGCSA-N 0 0 345.370 3.065 10 10 EGCERN O=C(NCc1c(O)cccc1F)C1(c2cccc(F)c2)CCOCC1 ZINC000928712603 1328407180 /nfs/dbraw/zinc/40/71/80/1328407180.db2.gz ULPNUDXQBFNJBC-UHFFFAOYSA-N 0 0 347.361 3.035 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC000861561689 1329426863 /nfs/dbraw/zinc/42/68/63/1329426863.db2.gz LJMGECPOBZQCPE-INIZCTEOSA-N 0 0 341.455 3.288 10 10 EGCERN Nc1ccc(CCNC(=O)NCc2csc(C(F)(F)F)c2)cc1 ZINC000861640499 1329433855 /nfs/dbraw/zinc/43/38/55/1329433855.db2.gz MBWAIFNFYGEWTC-UHFFFAOYSA-N 0 0 343.374 3.391 10 10 EGCERN CC[C@@H](C)c1cccc(NC(=O)C(=O)NCc2ccccc2O)c1 ZINC000861730992 1329438138 /nfs/dbraw/zinc/43/81/38/1329438138.db2.gz OQEDSIKVUZHOBF-CYBMUJFWSA-N 0 0 326.396 3.161 10 10 EGCERN Cc1noc(C)c1[C@H](C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862027341 1329456116 /nfs/dbraw/zinc/45/61/16/1329456116.db2.gz ODVOCMPMFPYLPT-LLVKDONJSA-N 0 0 339.395 3.355 10 10 EGCERN COCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC ZINC000862536625 1329494002 /nfs/dbraw/zinc/49/40/02/1329494002.db2.gz LCAKWFWVEZKCCH-UHFFFAOYSA-N 0 0 348.355 3.076 10 10 EGCERN Cc1cc(C2([NH2+]Cc3cc(Cl)cc(F)c3[O-])CCOCC2)on1 ZINC000862542547 1329494694 /nfs/dbraw/zinc/49/46/94/1329494694.db2.gz SGLOOPRVUUUJJZ-UHFFFAOYSA-N 0 0 340.782 3.277 10 10 EGCERN Cc1cc(CC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000863281721 1329543624 /nfs/dbraw/zinc/54/36/24/1329543624.db2.gz KBZQKNIPFORMGC-AZUAARDMSA-N 0 0 338.451 3.320 10 10 EGCERN CCCN(CCC)c1ccc(C[NH2+][C@H](C(=O)[O-])[C@H]2CCCO2)cc1 ZINC000864519680 1329621944 /nfs/dbraw/zinc/62/19/44/1329621944.db2.gz VRACBNCWPSWNRB-MSOLQXFVSA-N 0 0 334.460 3.035 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000864633702 1329632445 /nfs/dbraw/zinc/63/24/45/1329632445.db2.gz CCWRRTPZTMZLNG-PXNSSMCTSA-N 0 0 328.456 3.062 10 10 EGCERN Cc1cnc(F)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000864918287 1329651550 /nfs/dbraw/zinc/65/15/50/1329651550.db2.gz DPSXJRAXGMNMEE-UHFFFAOYSA-N 0 0 345.443 3.012 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000865027546 1329662756 /nfs/dbraw/zinc/66/27/56/1329662756.db2.gz URIRDOQPRRMJMT-HNNXBMFYSA-N 0 0 340.471 3.194 10 10 EGCERN O=C(NCc1ccc(N2CCCCC2)cc1)C1CC2(CSC2)C1 ZINC000865031827 1329663364 /nfs/dbraw/zinc/66/33/64/1329663364.db2.gz OYDCFMKBFVEYNT-UHFFFAOYSA-N 0 0 330.497 3.436 10 10 EGCERN FC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000865822517 1329742375 /nfs/dbraw/zinc/74/23/75/1329742375.db2.gz JARYILWBRSXVHT-LJQANCHMSA-N 0 0 332.394 3.463 10 10 EGCERN CN(Cc1ccccc1O)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000866597266 1330131481 /nfs/dbraw/zinc/13/14/81/1330131481.db2.gz PRJKUZUVNCGRHB-UHFFFAOYSA-N 0 0 340.379 3.381 10 10 EGCERN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000866634779 1330136341 /nfs/dbraw/zinc/13/63/41/1330136341.db2.gz JACCAXAKFQGFSR-IVZWLZJFSA-N 0 0 334.229 3.494 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]2CSC[C@H]2C1 ZINC000868111997 1330250881 /nfs/dbraw/zinc/25/08/81/1330250881.db2.gz ITLYNMGJYOMBHA-DLBZAZTESA-N 0 0 345.512 3.181 10 10 EGCERN CCOc1ccccc1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868202245 1330261548 /nfs/dbraw/zinc/26/15/48/1330261548.db2.gz PFOPMWSHZYRUHM-AWEZNQCLSA-N 0 0 328.412 3.394 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CCCC34CC4)C2)cc1 ZINC000868720082 1330323411 /nfs/dbraw/zinc/32/34/11/1330323411.db2.gz GXBKVWNUCXMSFY-YJBOKZPZSA-N 0 0 343.471 3.153 10 10 EGCERN C[C@H](NC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1O ZINC000868756028 1330334041 /nfs/dbraw/zinc/33/40/41/1330334041.db2.gz ZORFNDMQUAYULS-MJVIPROJSA-N 0 0 346.349 3.252 10 10 EGCERN Cc1ccc(O)c(CNC(=O)[C@@H]2c3ccccc3C(=O)OC2(C)C)c1 ZINC000869411259 1330485478 /nfs/dbraw/zinc/48/54/78/1330485478.db2.gz SNAMSVPCFREJBO-KRWDZBQOSA-N 0 0 339.391 3.050 10 10 EGCERN Cc1cccc(OCCCCC(=O)NCc2c(O)cccc2O)c1 ZINC000952995775 1334633207 /nfs/dbraw/zinc/63/32/07/1334633207.db2.gz YIHNEEJDVQJHHE-UHFFFAOYSA-N 0 0 329.396 3.272 10 10 EGCERN CSc1cccc(F)c1CNC(=O)c1c(F)ccc(O)c1O ZINC001183433064 1387308282 /nfs/dbraw/zinc/30/82/82/1387308282.db2.gz REKXBKRGJJYUAB-UHFFFAOYSA-N 0 0 325.336 3.028 10 10 EGCERN Cc1cc(C(=O)N2CC[C@]23CCOC3)c(C)n1-c1ccc(F)cc1 ZINC001117998735 1371118892 /nfs/dbraw/zinc/11/88/92/1371118892.db2.gz CMAZNJGSPRPBNB-LJQANCHMSA-N 0 0 328.387 3.238 10 10 EGCERN C[C@H](NC(=O)[C@@H]1CCC[C@@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001326156246 1388120644 /nfs/dbraw/zinc/12/06/44/1388120644.db2.gz MWWCXKYOSAGFQG-USXIJHARSA-N 0 0 334.435 3.229 10 10 EGCERN Cc1cc(C(=O)NCCC2SCCS2)c(C)n1-c1ccccn1 ZINC001118737221 1371218921 /nfs/dbraw/zinc/21/89/21/1371218921.db2.gz GQFOVRDVSSCOKY-UHFFFAOYSA-N 0 0 347.509 3.415 10 10 EGCERN Cc1cnc(F)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001126863560 1373042667 /nfs/dbraw/zinc/04/26/67/1373042667.db2.gz JIPDOIHAWLBMOV-UHFFFAOYSA-N 0 0 347.353 3.491 10 10 EGCERN CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)/C=C/c2cn(C)cn2)cc1 ZINC001127276276 1373110862 /nfs/dbraw/zinc/11/08/62/1373110862.db2.gz RFLNTCCJAAJOBM-IZZDOVSWSA-N 0 0 349.438 3.061 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)OCCC(C)C)cc1 ZINC001130744511 1373587841 /nfs/dbraw/zinc/58/78/41/1373587841.db2.gz BYDBZPDDCVJGDN-INIZCTEOSA-N 0 0 336.476 3.041 10 10 EGCERN CC[C@H](CC(C)C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032031 1375107400 /nfs/dbraw/zinc/10/74/00/1375107400.db2.gz HWXAHANQBZZLHN-MRXNPFEDSA-N 0 0 348.487 3.425 10 10 EGCERN CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001230194655 1375964503 /nfs/dbraw/zinc/96/45/03/1375964503.db2.gz DGGHZOGCAXCXSD-YRNRMSPPSA-N 0 0 349.519 3.088 10 10 EGCERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)cnc1Br ZINC001135642294 1377173090 /nfs/dbraw/zinc/17/30/90/1377173090.db2.gz DAVFJUQUYWLJSL-UHFFFAOYSA-N 0 0 348.244 3.149 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3ccc4ccncc4c3)CC2)cc1 ZINC001266269092 1377254354 /nfs/dbraw/zinc/25/43/54/1377254354.db2.gz WNANWTBKNNLCQN-UHFFFAOYSA-N 0 0 347.418 3.206 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2n[nH]cc2c1 ZINC001136025590 1377302853 /nfs/dbraw/zinc/30/28/53/1377302853.db2.gz QCFGEVBUHWPJIT-UHFFFAOYSA-N 0 0 334.423 3.435 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC12CCOCC2 ZINC001136025676 1377302944 /nfs/dbraw/zinc/30/29/44/1377302944.db2.gz UNXMJBRBKNXYKL-SFHVURJKSA-N 0 0 328.456 3.062 10 10 EGCERN Cc1cc(C(=O)NCCCSc2nccs2)cc(NC2CC2)n1 ZINC001136661794 1377413672 /nfs/dbraw/zinc/41/36/72/1377413672.db2.gz PRCGKQQFDKVBDO-UHFFFAOYSA-N 0 0 348.497 3.333 10 10 EGCERN CCc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1O ZINC001137443628 1377548506 /nfs/dbraw/zinc/54/85/06/1377548506.db2.gz WYQLPEDUCRLRPX-UHFFFAOYSA-N 0 0 325.408 3.469 10 10 EGCERN CCN(CC(C)=O)C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001141385527 1378315034 /nfs/dbraw/zinc/31/50/34/1378315034.db2.gz CHSQCOSRFDUMAP-UHFFFAOYSA-N 0 0 340.423 3.266 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(O)c1F ZINC001142419991 1378441305 /nfs/dbraw/zinc/44/13/05/1378441305.db2.gz YGEDREBBSLVRMJ-CYBMUJFWSA-N 0 0 330.403 3.267 10 10 EGCERN COC(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 ZINC001142820841 1378491024 /nfs/dbraw/zinc/49/10/24/1378491024.db2.gz VFAVKBPCMISDLC-UHFFFAOYSA-N 0 0 340.339 3.196 10 10 EGCERN O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1cccc(O)c1O ZINC001144260556 1378706537 /nfs/dbraw/zinc/70/65/37/1378706537.db2.gz OLHKNZNYBRRZMT-UHFFFAOYSA-N 0 0 329.743 3.189 10 10 EGCERN Cc1ccc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)c(O)c1O ZINC001148687458 1379243055 /nfs/dbraw/zinc/24/30/55/1379243055.db2.gz KNOHIJIGJBNPBT-UHFFFAOYSA-N 0 0 331.799 3.374 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ncc3ccccc3c2O)c1 ZINC001150542854 1379565132 /nfs/dbraw/zinc/56/51/32/1379565132.db2.gz FTWDXRCMFXTRKO-LLVKDONJSA-N 0 0 338.363 3.146 10 10 EGCERN C[C@@H](NC(=O)c1ccn(-c2cccc(F)c2)n1)c1ccccc1O ZINC001151885966 1379810956 /nfs/dbraw/zinc/81/09/56/1379810956.db2.gz PAGXMGWYAITTLW-GFCCVEGCSA-N 0 0 325.343 3.208 10 10 EGCERN COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(O)c2O)n[nH]1 ZINC001153765767 1380125482 /nfs/dbraw/zinc/12/54/82/1380125482.db2.gz PXKWFLFPMFCRPZ-UHFFFAOYSA-N 0 0 339.351 3.057 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001328089061 1388668207 /nfs/dbraw/zinc/66/82/07/1388668207.db2.gz WEADKDIGOUOGGL-GIFSMMMISA-N 0 0 340.370 3.195 10 10 EGCERN Cc1cc(C(F)F)n(CC(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001157051339 1380762288 /nfs/dbraw/zinc/76/22/88/1380762288.db2.gz SCMBGVBGILVBDH-UHFFFAOYSA-N 0 0 345.349 3.304 10 10 EGCERN O=C(Cc1ccnc(F)c1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001160563089 1382143306 /nfs/dbraw/zinc/14/33/06/1382143306.db2.gz NHUAKCMSWPXVFS-UHFFFAOYSA-N 0 0 347.353 3.112 10 10 EGCERN CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001160652469 1382161166 /nfs/dbraw/zinc/16/11/66/1382161166.db2.gz VNYZZLZEINAQHL-TXEJJXNPSA-N 0 0 331.334 3.220 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(-c3c[nH]cn3)cc2)cc1F ZINC001292283039 1382179206 /nfs/dbraw/zinc/17/92/06/1382179206.db2.gz SJQYEUAJGMCOTB-UHFFFAOYSA-N 0 0 338.386 3.212 10 10 EGCERN COC(=O)[C@H](C)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001161552949 1382438367 /nfs/dbraw/zinc/43/83/67/1382438367.db2.gz GLUULURJUYMZLO-LHJMJDNXSA-N 0 0 341.363 3.026 10 10 EGCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(N2CCCC2)c1 ZINC001294598658 1382476563 /nfs/dbraw/zinc/47/65/63/1382476563.db2.gz LDHZVRGUUQKVAJ-AWEZNQCLSA-N 0 0 340.423 3.118 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cnc2ccsc2c1 ZINC001162606914 1382806409 /nfs/dbraw/zinc/80/64/09/1382806409.db2.gz ANJGCAFJIGKDEJ-UHFFFAOYSA-N 0 0 335.388 3.480 10 10 EGCERN COc1ccc(CNC(=O)c2ccc3c(c2)OC(C)(C)C3)c(O)c1 ZINC001296969009 1383101528 /nfs/dbraw/zinc/10/15/28/1383101528.db2.gz TVRXAABHEKDUHH-UHFFFAOYSA-N 0 0 327.380 3.044 10 10 EGCERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001298809450 1383432502 /nfs/dbraw/zinc/43/25/02/1383432502.db2.gz PADVMAZYTOWEOK-VMPITWQZSA-N 0 0 328.324 3.275 10 10 EGCERN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccn1 ZINC001166539437 1383434534 /nfs/dbraw/zinc/43/45/34/1383434534.db2.gz PDTRFRRNDGEAIR-SNVBAGLBSA-N 0 0 328.393 3.241 10 10 EGCERN COc1ccc2oc(C(=O)NCc3ccc(O)cc3O)c(C)c2c1 ZINC001299570116 1383572541 /nfs/dbraw/zinc/57/25/41/1383572541.db2.gz HKZCQKPMOQOKSQ-UHFFFAOYSA-N 0 0 327.336 3.091 10 10 EGCERN COc1ccccc1C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001299799382 1383629015 /nfs/dbraw/zinc/62/90/15/1383629015.db2.gz LLWIVFMHCMIZSB-UHFFFAOYSA-N 0 0 338.367 3.277 10 10 EGCERN COc1cccc2[nH]cc(CC(=O)NCc3cc(Cl)ccc3O)c21 ZINC001300395987 1383662436 /nfs/dbraw/zinc/66/24/36/1383662436.db2.gz IBOHFGOLNKTLJB-UHFFFAOYSA-N 0 0 344.798 3.394 10 10 EGCERN CSCCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001300722387 1383678188 /nfs/dbraw/zinc/67/81/88/1383678188.db2.gz BKIMLQLOMPNTFY-UHFFFAOYSA-N 0 0 330.453 3.308 10 10 EGCERN Cc1cc(CC(=O)N2C[C@H](O)CC(C)(C)C2)c(C)n1-c1ccccc1 ZINC001302516253 1383756203 /nfs/dbraw/zinc/75/62/03/1383756203.db2.gz AGOGIZBQJXSZPJ-LJQANCHMSA-N 0 0 340.467 3.256 10 10 EGCERN CC(C)(C(=O)NCc1cccc(O)c1O)c1ccc(Cl)cc1F ZINC001303195597 1383787377 /nfs/dbraw/zinc/78/73/77/1383787377.db2.gz XAKZFWJKQKIMNT-UHFFFAOYSA-N 0 0 337.778 3.484 10 10 EGCERN Oc1cccc(O)c1CNc1nn2cc(-c3ccccc3)nc2s1 ZINC001307218252 1383958848 /nfs/dbraw/zinc/95/88/48/1383958848.db2.gz GIDYWBWOSIHQFM-UHFFFAOYSA-N 0 0 338.392 3.481 10 10 EGCERN O=C(NCC(F)(F)c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC001313075987 1384393668 /nfs/dbraw/zinc/39/36/68/1384393668.db2.gz WZUIALYCGWMGTP-UHFFFAOYSA-N 0 0 336.313 3.349 10 10 EGCERN COCC(C)(C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001315765645 1384453040 /nfs/dbraw/zinc/45/30/40/1384453040.db2.gz JKNAJVWWHOGATC-UHFFFAOYSA-N 0 0 344.459 3.170 10 10 EGCERN COC[C@@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001171491179 1384540028 /nfs/dbraw/zinc/54/00/28/1384540028.db2.gz RZJPSJIQNLAGGJ-IBGZPJMESA-N 0 0 326.440 3.274 10 10 EGCERN C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1O ZINC001171723726 1384614083 /nfs/dbraw/zinc/61/40/83/1384614083.db2.gz YZQSIMSDKOVJJB-GFCCVEGCSA-N 0 0 325.343 3.208 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001333785535 1390402454 /nfs/dbraw/zinc/40/24/54/1390402454.db2.gz UUCLYAJEYRLZIL-BMFZPTHFSA-N 0 0 337.414 3.328 10 10 EGCERN C[C@@H](NC(=O)NCc1cc(C(F)F)on1)c1ccc(N(C)C)cc1 ZINC001346876439 1390984019 /nfs/dbraw/zinc/98/40/19/1390984019.db2.gz XXLSQTOIGQXYPR-SNVBAGLBSA-N 0 0 338.358 3.239 10 10 EGCERN O=C(NCc1cccc(O)c1O)[C@@H](OC1CCCC1)c1ccccc1 ZINC001348047204 1391165096 /nfs/dbraw/zinc/16/50/96/1391165096.db2.gz MTMHVDCYOLZLTF-IBGZPJMESA-N 0 0 341.407 3.415 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1Cc2cccnc2C1 ZINC001348392547 1391212980 /nfs/dbraw/zinc/21/29/80/1391212980.db2.gz DDMSITJASWTNKX-SFHVURJKSA-N 0 0 337.467 3.300 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H](CCCO)c2ccccc2)cc1F ZINC001348728379 1391258252 /nfs/dbraw/zinc/25/82/52/1391258252.db2.gz XLMWVNAEWOKXIJ-KRWDZBQOSA-N 0 0 344.430 3.064 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccn(CCc3ccccc3)n2)cc1 ZINC001350776097 1391529374 /nfs/dbraw/zinc/52/93/74/1391529374.db2.gz DPJLTSCGQBESSM-UHFFFAOYSA-N 0 0 348.450 3.122 10 10 EGCERN Cc1cccc(F)c1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001351105360 1391597916 /nfs/dbraw/zinc/59/79/16/1391597916.db2.gz LFKAYOQKVPMCQG-UHFFFAOYSA-N 0 0 342.414 3.025 10 10 EGCERN Cc1ccc(-c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)nn1 ZINC001351266549 1391618502 /nfs/dbraw/zinc/61/85/02/1391618502.db2.gz VVQDJEGGTIGCMT-UHFFFAOYSA-N 0 0 346.434 3.448 10 10 EGCERN CC[C@@H](C)c1ccccc1OCC(=O)NCc1cccc(O)c1O ZINC001352658350 1391829908 /nfs/dbraw/zinc/82/99/08/1391829908.db2.gz SYZKLYHWULEZPM-CYBMUJFWSA-N 0 0 329.396 3.307 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCC=CCC1 ZINC001353863618 1392103197 /nfs/dbraw/zinc/10/31/97/1392103197.db2.gz YZFUHXZEKHSXEE-UHFFFAOYSA-N 0 0 344.455 3.136 10 10 EGCERN CC[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001694887612 1406073161 /nfs/dbraw/zinc/07/31/61/1406073161.db2.gz IPYOXVCXPQZQFK-MRXNPFEDSA-N 0 0 327.476 3.246 10 10 EGCERN CC[C@@H]1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C1 ZINC001694892104 1406073463 /nfs/dbraw/zinc/07/34/63/1406073463.db2.gz SXVPXMVIZAUAMH-MRXNPFEDSA-N 0 0 339.487 3.254 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1[C@@H]1C[C@H]1CF ZINC001696699476 1406119412 /nfs/dbraw/zinc/11/94/12/1406119412.db2.gz CXWWJEGXMLHQMF-UONOGXRCSA-N 0 0 332.423 3.448 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCSC1(C)C ZINC001707861549 1417384752 /nfs/dbraw/zinc/38/47/52/1417384752.db2.gz MUKQEHOTIMYCBO-OAHLLOKOSA-N 0 0 346.500 3.460 10 10 EGCERN Cc1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001726389691 1427056173 /nfs/dbraw/zinc/05/61/73/1427056173.db2.gz GIRBNBTVBGWVFD-AWEZNQCLSA-N 0 0 345.466 3.466 10 10 EGCERN Cc1nnc(N2CCC[C@@H]2C(C)C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001726391074 1427056196 /nfs/dbraw/zinc/05/61/96/1427056196.db2.gz DIJLCQYHQVWZOT-QGZVFWFLSA-N 0 0 345.466 3.465 10 10 EGCERN C[C@@H]1C[C@@H]1n1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001726490954 1427064246 /nfs/dbraw/zinc/06/42/46/1427064246.db2.gz SUCHYFMNJKINRM-KBMXLJTQSA-N 0 0 342.443 3.095 10 10 EGCERN CCc1nnc(N(C)CC2CC2)n1CCCSc1nccs1 ZINC001727512053 1427108453 /nfs/dbraw/zinc/10/84/53/1427108453.db2.gz TZQRJLWWMBXKIH-UHFFFAOYSA-N 0 0 337.518 3.326 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC(F)(F)C2)cc1 ZINC001746085264 1439851703 /nfs/dbraw/zinc/85/17/03/1439851703.db2.gz AVPHWLWGFQUDGN-UHFFFAOYSA-N 0 0 349.429 3.326 10 10 EGCERN C[C@H]1CCC[C@](CO)([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000053117564 214164411 /nfs/dbraw/zinc/16/44/11/214164411.db2.gz RJSRXXDVRLGEKH-NHYWBVRUSA-N 0 0 328.250 3.186 10 10 EGCERN CN(C)c1ccc(/C=C/C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000068536243 215316454 /nfs/dbraw/zinc/31/64/54/215316454.db2.gz BODYUVUMRLOWRU-FMIVXFBMSA-N 0 0 349.390 3.250 10 10 EGCERN COC[C@H](O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000180658389 455220944 /nfs/dbraw/zinc/22/09/44/455220944.db2.gz UGMJCZMSGBTYFX-HNNXBMFYSA-N 0 0 344.436 3.291 10 10 EGCERN COc1ccc([C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173190657 455245018 /nfs/dbraw/zinc/24/50/18/455245018.db2.gz CAAQZXYWGQBWBT-AWEZNQCLSA-N 0 0 340.423 3.290 10 10 EGCERN COc1ccc(N(Cc2nnc3n2CCCC3)[C@@H](C)C2CC2)cc1 ZINC000264753244 455276005 /nfs/dbraw/zinc/27/60/05/455276005.db2.gz WXEXKPWTJDPKFE-AWEZNQCLSA-N 0 0 326.444 3.428 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3C[C@@H]3C)c2C)cc1 ZINC000002642876 452710074 /nfs/dbraw/zinc/71/00/74/452710074.db2.gz OWDRZYOENKSCLB-YVEFUNNKSA-N 0 0 341.407 3.485 10 10 EGCERN Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000005710380 452897147 /nfs/dbraw/zinc/89/71/47/452897147.db2.gz INYZXHOZIDWRER-UHFFFAOYSA-N 0 0 338.407 3.043 10 10 EGCERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N(C)Cc1ccccc1O ZINC000077528210 454118243 /nfs/dbraw/zinc/11/82/43/454118243.db2.gz NTVOTRXPINTXIW-MRXNPFEDSA-N 0 0 326.396 3.284 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)n1-c1ccccn1 ZINC000071796796 454219842 /nfs/dbraw/zinc/21/98/42/454219842.db2.gz NSZISHRNZUDECO-SFHVURJKSA-N 0 0 349.438 3.200 10 10 EGCERN CC(C)(C)/C=C/C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000136211746 454728732 /nfs/dbraw/zinc/72/87/32/454728732.db2.gz AANNTMXDYXWVCZ-DHZHZOJOSA-N 0 0 330.472 3.114 10 10 EGCERN CC[C@@H](N[C@@H]1CCCn2nc(COC)nc21)c1ccc(N(C)C)cc1 ZINC000125268143 454809105 /nfs/dbraw/zinc/80/91/05/454809105.db2.gz HQTGFRHVSJWNDK-IAGOWNOFSA-N 0 0 343.475 3.066 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1ccccn1 ZINC000178435693 454955592 /nfs/dbraw/zinc/95/55/92/454955592.db2.gz RMPCVHAYJJLQGY-UHFFFAOYSA-N 0 0 340.471 3.312 10 10 EGCERN COc1ccc2c(c1)CCN2Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000114716545 454972645 /nfs/dbraw/zinc/97/26/45/454972645.db2.gz XKSABZVAMPHTNL-UHFFFAOYSA-N 0 0 343.452 3.230 10 10 EGCERN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000245609823 455339843 /nfs/dbraw/zinc/33/98/43/455339843.db2.gz NYGVZZAQFFFWRG-YVEFUNNKSA-N 0 0 331.391 3.014 10 10 EGCERN COc1cc(Cl)cc(CN2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000184694994 455429392 /nfs/dbraw/zinc/42/93/92/455429392.db2.gz AYRSXKGJDLTVNX-QGZVFWFLSA-N 0 0 349.814 3.333 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2c2nc[nH]n2)c1O ZINC000182714483 455573653 /nfs/dbraw/zinc/57/36/53/455573653.db2.gz NPUODFCKEHXRMP-AWEZNQCLSA-N 0 0 334.807 3.094 10 10 EGCERN O=C(NCc1ccc(N2CCOCC2)cc1)NC1CCC2(CC2)CC1 ZINC000277578475 455603572 /nfs/dbraw/zinc/60/35/72/455603572.db2.gz SCZZPBCWMOEQKB-UHFFFAOYSA-N 0 0 343.471 3.045 10 10 EGCERN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@]12CCCO2 ZINC000293706597 455794464 /nfs/dbraw/zinc/79/44/64/455794464.db2.gz UHSYBHGVZHHQPJ-ARFHVFGLSA-N 0 0 329.799 3.001 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@H](C)c1cc(C)ccc1O ZINC000186589307 455799923 /nfs/dbraw/zinc/79/99/23/455799923.db2.gz DGVPETZLPSEXPN-CQSZACIVSA-N 0 0 340.423 3.409 10 10 EGCERN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000293999073 455802821 /nfs/dbraw/zinc/80/28/21/455802821.db2.gz SRBUKKLXBDQIJZ-GFCCVEGCSA-N 0 0 328.815 3.065 10 10 EGCERN COc1c(O)c(CNc2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000278304348 455811562 /nfs/dbraw/zinc/81/15/62/455811562.db2.gz DELWVIABLHXTGK-UHFFFAOYSA-N 0 0 330.340 3.246 10 10 EGCERN COc1cc(N=Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N ZINC000252604808 455823908 /nfs/dbraw/zinc/82/39/08/455823908.db2.gz GDLRISJAOGNLPD-UHFFFAOYSA-N 0 0 337.383 3.491 10 10 EGCERN Fc1cnc2c(c1)nccc2NCc1ccc(N2CCOCC2)cc1 ZINC000286541544 456049374 /nfs/dbraw/zinc/04/93/74/456049374.db2.gz YXEHKJHSZMGNDC-UHFFFAOYSA-N 0 0 338.386 3.218 10 10 EGCERN O=C1CCC(=O)N1c1cc(N[C@@H]2CCc3cccc(O)c32)ccc1F ZINC000297277773 456168889 /nfs/dbraw/zinc/16/88/89/456168889.db2.gz LCAFPIMUEPWUAG-CQSZACIVSA-N 0 0 340.354 3.284 10 10 EGCERN Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000273625764 456242346 /nfs/dbraw/zinc/24/23/46/456242346.db2.gz VZDLEXPLYLHGFH-UHFFFAOYSA-N 0 0 325.412 3.391 10 10 EGCERN C[C@H]1CCCN(c2ccc(CNC(=O)Cn3ccnc3)cc2Cl)C1 ZINC000281915521 456360353 /nfs/dbraw/zinc/36/03/53/456360353.db2.gz ABZDGPBSRQRQHS-AWEZNQCLSA-N 0 0 346.862 3.089 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000302648375 456368646 /nfs/dbraw/zinc/36/86/46/456368646.db2.gz JLXPRZKJNPFEHO-VQHVLOKHSA-N 0 0 348.399 3.175 10 10 EGCERN COC(=O)c1cc(N(C)Cc2ccccc2O)cc(C)c1[N+](=O)[O-] ZINC000302681709 456373380 /nfs/dbraw/zinc/37/33/80/456373380.db2.gz XCXWHANGSRKXFQ-UHFFFAOYSA-N 0 0 330.340 3.032 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCS[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000302723444 456384177 /nfs/dbraw/zinc/38/41/77/456384177.db2.gz IOAUCULQGVSZMZ-FUEXJSSKSA-N 0 0 336.413 3.113 10 10 EGCERN CCN(CC)c1ccc(CNCc2cn3cccnc3n2)cc1F ZINC000298287142 456415476 /nfs/dbraw/zinc/41/54/76/456415476.db2.gz HCKAOFGNNNHNPX-UHFFFAOYSA-N 0 0 327.407 3.004 10 10 EGCERN CCN(CC)c1ccc(CN[C@H](C(=O)OC)c2cccc(O)c2)cc1 ZINC000276770666 456575245 /nfs/dbraw/zinc/57/52/45/456575245.db2.gz ORICXMWNDVXGOA-IBGZPJMESA-N 0 0 342.439 3.242 10 10 EGCERN C[C@H]1COCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000277294839 456763943 /nfs/dbraw/zinc/76/39/43/456763943.db2.gz ANLNCWXHKLXJLU-LPHOPBHVSA-N 0 0 345.487 3.243 10 10 EGCERN Cc1ccc2ncnc(N(C)Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000301084127 456793151 /nfs/dbraw/zinc/79/31/51/456793151.db2.gz GIWUKDZKULYXJB-UHFFFAOYSA-N 0 0 348.450 3.411 10 10 EGCERN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cccc(O)c3O)C2)c1 ZINC000374472430 457637194 /nfs/dbraw/zinc/63/71/94/457637194.db2.gz QMJOOLJXNATAPO-SFHVURJKSA-N 0 0 333.334 3.256 10 10 EGCERN Cc1ccc(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)c(O)c1O ZINC000373626310 458557194 /nfs/dbraw/zinc/55/71/94/458557194.db2.gz TXTNDFKDDTZBOL-UHFFFAOYSA-N 0 0 341.342 3.198 10 10 EGCERN CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000527958840 459782739 /nfs/dbraw/zinc/78/27/39/459782739.db2.gz XAZHKCPJCKLCDH-BFHYXJOUSA-N 0 0 334.243 3.280 10 10 EGCERN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000529645962 459831836 /nfs/dbraw/zinc/83/18/36/459831836.db2.gz XUPVREZDTAXODY-INIZCTEOSA-N 0 0 346.858 3.418 10 10 EGCERN Cc1cc(-c2nc(C(C)C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000545558031 459837880 /nfs/dbraw/zinc/83/78/80/459837880.db2.gz ZPTBPPCOOVQSPK-UHFFFAOYSA-N 0 0 327.409 3.385 10 10 EGCERN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000252467595 525303647 /nfs/dbraw/zinc/30/36/47/525303647.db2.gz UYQQXWVMVYWDFN-JMSVASOKSA-N 0 0 342.361 3.184 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)cc1 ZINC000729700299 574880077 /nfs/dbraw/zinc/88/00/77/574880077.db2.gz LLSCYHIMTOUJQF-SFHVURJKSA-N 0 0 342.439 3.364 10 10 EGCERN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2=COCCC2)cc1 ZINC000730752467 575016239 /nfs/dbraw/zinc/01/62/39/575016239.db2.gz FVXJOUDNXBROKU-UHFFFAOYSA-N 0 0 342.361 3.338 10 10 EGCERN CCc1cccc(CC)c1NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000731910188 575218590 /nfs/dbraw/zinc/21/85/90/575218590.db2.gz NQYQVJQELALENS-UHFFFAOYSA-N 0 0 333.409 3.374 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)nc(N(C)C)c2)c1 ZINC000733361757 575331066 /nfs/dbraw/zinc/33/10/66/575331066.db2.gz AXGXLDBQZDQAPV-JTQLQIEISA-N 0 0 349.818 3.006 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@]2(C)CCCc3ccccc32)c1 ZINC000734019120 575427754 /nfs/dbraw/zinc/42/77/54/575427754.db2.gz YBSRWMIFKKMJPB-HXUWFJFHSA-N 0 0 325.408 3.311 10 10 EGCERN CCN1C(=O)/C(=C/c2nccn2Cc2ccccc2)SC1=S ZINC000734096489 575439532 /nfs/dbraw/zinc/43/95/32/575439532.db2.gz NIIRZYURTRJOOJ-RAXLEYEMSA-N 0 0 329.450 3.153 10 10 EGCERN O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCC(=O)CC1 ZINC000096904492 1292955202 /nfs/dbraw/zinc/95/52/02/1292955202.db2.gz QSKALNZZFRIPFJ-YFHOEESVSA-N 0 0 326.440 3.272 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000115979950 1293198348 /nfs/dbraw/zinc/19/83/48/1293198348.db2.gz HNZYIETXHADNQP-LSDHHAIUSA-N 0 0 330.378 3.451 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1COc2ccccc2C1 ZINC000174519369 1294504974 /nfs/dbraw/zinc/50/49/74/1294504974.db2.gz GBAWPGHYKPZSHP-INIZCTEOSA-N 0 0 337.419 3.139 10 10 EGCERN COc1ccc(SCCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198665 1296268938 /nfs/dbraw/zinc/26/89/38/1296268938.db2.gz MPSLDONLWGWLBI-UHFFFAOYSA-N 0 0 329.421 3.425 10 10 EGCERN O=C(CCCOCCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871200762 1296269890 /nfs/dbraw/zinc/26/98/90/1296269890.db2.gz IIPUULSSHVODCD-UHFFFAOYSA-N 0 0 325.408 3.274 10 10 EGCERN Cc1ccc(CNC(=O)N2CCOc3ccc(N(C)C)cc3C2)cc1 ZINC000581789850 1298008917 /nfs/dbraw/zinc/00/89/17/1298008917.db2.gz TUNZALLNAGCTBE-UHFFFAOYSA-N 0 0 339.439 3.165 10 10 EGCERN CCN(Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000708100101 1298235718 /nfs/dbraw/zinc/23/57/18/1298235718.db2.gz RGVFLCFMQLGKRO-LBPRGKRZSA-N 0 0 347.684 3.382 10 10 EGCERN C[C@H]1CC[C@@H]([NH3+])CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133123 1298235993 /nfs/dbraw/zinc/23/59/93/1298235993.db2.gz HQEBFYIJNUTQDS-GZMMTYOYSA-N 0 0 333.657 3.120 10 10 EGCERN C[C@@]1(C(=O)NCc2cc(Cl)ccc2O)OCCc2ccccc21 ZINC000880539677 1301153892 /nfs/dbraw/zinc/15/38/92/1301153892.db2.gz CJFRXYJHNMZGGL-GOSISDBHSA-N 0 0 331.799 3.150 10 10 EGCERN CC(=O)c1cncc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000887985679 1304003913 /nfs/dbraw/zinc/00/39/13/1304003913.db2.gz APPMORUYKWOFSK-UHFFFAOYSA-N 0 0 339.439 3.401 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccnc1C(F)F ZINC000889294916 1304440273 /nfs/dbraw/zinc/44/02/73/1304440273.db2.gz BMHVLZPOVRZPGC-UHFFFAOYSA-N 0 0 333.338 3.124 10 10 EGCERN Oc1c(F)cc(Br)cc1Cn1cnc2c1CCCC2 ZINC000895390613 1309313624 /nfs/dbraw/zinc/31/36/24/1309313624.db2.gz ZWBQJWIWOPGFDG-UHFFFAOYSA-N 0 0 325.181 3.417 10 10 EGCERN CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895476856 1309357936 /nfs/dbraw/zinc/35/79/36/1309357936.db2.gz BZNYJOMTDHUCPM-SNVBAGLBSA-N 0 0 348.668 3.401 10 10 EGCERN O=C(NCCCSc1nccs1)c1cncc(F)c1Cl ZINC000896335463 1309810101 /nfs/dbraw/zinc/81/01/01/1309810101.db2.gz VLZQXOIYCSVFAE-UHFFFAOYSA-N 0 0 331.825 3.243 10 10 EGCERN CC1(C)[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@H]2CCCO[C@@H]21 ZINC000896672458 1309969605 /nfs/dbraw/zinc/96/96/05/1309969605.db2.gz KWFFNGAHGAPUCW-GTTSAUCSSA-N 0 0 347.436 3.246 10 10 EGCERN COCC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC000897934585 1310522098 /nfs/dbraw/zinc/52/20/98/1310522098.db2.gz QIWQDPUTFZUGMS-UHFFFAOYSA-N 0 0 335.425 3.249 10 10 EGCERN CC[C@@H]1COC(C)(C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898272238 1310656678 /nfs/dbraw/zinc/65/66/78/1310656678.db2.gz BUUZIRNWONLJFG-LLVKDONJSA-N 0 0 335.425 3.342 10 10 EGCERN O=C(C[C@@H]1CCc2sccc2C1=O)N1Cc2cccc(O)c2C1 ZINC000899174621 1310966918 /nfs/dbraw/zinc/96/69/18/1310966918.db2.gz XTPBCRBIUWWHNB-NSHDSACASA-N 0 0 327.405 3.131 10 10 EGCERN Cc1cc(CCNC(=O)/C=C/c2cnccn2)c(C)n1-c1ccccc1 ZINC000918146850 1319922292 /nfs/dbraw/zinc/92/22/92/1319922292.db2.gz QVMGIUZGWPSQPD-CMDGGOBGSA-N 0 0 346.434 3.256 10 10 EGCERN COc1ccc(N2CCC[N@@H+]([C@H](C)c3snnc3C)CC2)cc1 ZINC000929314433 1328564805 /nfs/dbraw/zinc/56/48/05/1328564805.db2.gz AVGKLIGHWBLMPH-CQSZACIVSA-N 0 0 332.473 3.128 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000929527045 1328627626 /nfs/dbraw/zinc/62/76/26/1328627626.db2.gz BGTXWNIPQBQAND-HUUCEWRRSA-N 0 0 344.377 3.211 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000858299121 1328732737 /nfs/dbraw/zinc/73/27/37/1328732737.db2.gz PMGIRPDCGLHYIG-OCCSQVGLSA-N 0 0 326.234 3.120 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCc2ccn(C3CCCC3)n2)c1 ZINC000858306034 1328733679 /nfs/dbraw/zinc/73/36/79/1328733679.db2.gz GZLLLDVZVCUDIR-UHFFFAOYSA-N 0 0 328.416 3.012 10 10 EGCERN O=[S@@](CCN(Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000929969752 1328752999 /nfs/dbraw/zinc/75/29/99/1328752999.db2.gz CQPUQRAQTKOFEM-QHCPKHFHSA-N 0 0 347.358 3.256 10 10 EGCERN C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000858449564 1328765213 /nfs/dbraw/zinc/76/52/13/1328765213.db2.gz OHJPBUPAYAGXDO-PELKAZGASA-N 0 0 335.276 3.321 10 10 EGCERN C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(F)cc(F)c1[O-] ZINC000858528810 1328788807 /nfs/dbraw/zinc/78/88/07/1328788807.db2.gz FQOLIWYODMSZFS-QFYYESIMSA-N 0 0 332.350 3.148 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@H]4C[C@H]4C3)C2)cc1 ZINC000858598697 1328806336 /nfs/dbraw/zinc/80/63/36/1328806336.db2.gz GVQWFAYWKCMWTH-TWMKSMIVSA-N 0 0 343.471 3.009 10 10 EGCERN CC(C)C[C@H](NCC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1O ZINC000913763636 1319118363 /nfs/dbraw/zinc/11/83/63/1319118363.db2.gz MIVLAPYMAYLAAY-AAEUAGOBSA-N 0 0 332.366 3.136 10 10 EGCERN CO[C@H]1C[C@H](CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000914413159 1319320245 /nfs/dbraw/zinc/32/02/45/1319320245.db2.gz OVSPFWUJJDWIOY-JCNLHEQBSA-N 0 0 340.423 3.061 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCCOc2ccccc21 ZINC000915803178 1319538206 /nfs/dbraw/zinc/53/82/06/1319538206.db2.gz UPEALJQHDHNELC-HNNXBMFYSA-N 0 0 330.359 3.244 10 10 EGCERN CCc1[nH]nc(Cl)c1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000858826448 1328869305 /nfs/dbraw/zinc/86/93/05/1328869305.db2.gz JWHBWOJYMFIMTH-UHFFFAOYSA-N 0 0 334.851 3.354 10 10 EGCERN C/C=C\CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000858888521 1328883688 /nfs/dbraw/zinc/88/36/88/1328883688.db2.gz NFCDHQPWLPLIIU-ZRMMWKCHSA-N 0 0 339.386 3.132 10 10 EGCERN CC(C)n1ncc(C(=O)NCCCSc2nccs2)c1Cl ZINC000859351950 1328973871 /nfs/dbraw/zinc/97/38/71/1328973871.db2.gz KYCRJFDGCIRNCF-UHFFFAOYSA-N 0 0 344.893 3.486 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(OC(C)(C)C)n2)c1 ZINC000860241841 1329181877 /nfs/dbraw/zinc/18/18/77/1329181877.db2.gz MRNNGJDKWHOHDJ-GFCCVEGCSA-N 0 0 344.411 3.464 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000926389350 1325536766 /nfs/dbraw/zinc/53/67/66/1325536766.db2.gz WOXALLAYKYOKSS-GXTWGEPZSA-N 0 0 346.349 3.034 10 10 EGCERN CC1(C)C[C@H](c2ccccc2)CN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000927924280 1328155736 /nfs/dbraw/zinc/15/57/36/1328155736.db2.gz UNGXYLNTCGKMAH-HNNXBMFYSA-N 0 0 337.423 3.002 10 10 EGCERN Cc1cc(C(=O)N[C@@H](c2ncccn2)C2CC2)c(C)n1-c1ccccn1 ZINC000928585597 1328363976 /nfs/dbraw/zinc/36/39/76/1328363976.db2.gz MESYIEIEHMILRH-GOSISDBHSA-N 0 0 347.422 3.160 10 10 EGCERN CCOc1ccc(C(=O)NCc2c(O)cccc2F)cc1OCC ZINC000928709796 1328406211 /nfs/dbraw/zinc/40/62/11/1328406211.db2.gz LTESUWLQRXWZJH-UHFFFAOYSA-N 0 0 333.359 3.259 10 10 EGCERN CCc1cc(Cl)cnc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000861608061 1329430909 /nfs/dbraw/zinc/43/09/09/1329430909.db2.gz JEPOQIJRWAKEQE-JTQLQIEISA-N 0 0 349.818 3.461 10 10 EGCERN COCc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1OC ZINC000861629145 1329433030 /nfs/dbraw/zinc/43/30/30/1329433030.db2.gz MIZZDNSRKBWQHT-UHFFFAOYSA-N 0 0 330.384 3.177 10 10 EGCERN CO[C@@H]1CCC[C@@H](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026101 1329455767 /nfs/dbraw/zinc/45/57/67/1329455767.db2.gz GZRWPWIAPJWZFF-CZUORRHYSA-N 0 0 328.412 3.152 10 10 EGCERN CCCN(Cc1cn(C)nc1Br)Cc1ccccc1O ZINC000862237129 1329469206 /nfs/dbraw/zinc/46/92/06/1329469206.db2.gz IMKOWYWWJKKKDP-UHFFFAOYSA-N 0 0 338.249 3.300 10 10 EGCERN CN(C)c1cc(F)c(CN2CCOc3ccc(O)cc3C2)cc1F ZINC000862417626 1329484587 /nfs/dbraw/zinc/48/45/87/1329484587.db2.gz BKUJWOPGQQAJFS-UHFFFAOYSA-N 0 0 334.366 3.131 10 10 EGCERN Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000862436178 1329486870 /nfs/dbraw/zinc/48/68/70/1329486870.db2.gz YXGSXZDSWWZYTG-UHFFFAOYSA-N 0 0 337.704 3.227 10 10 EGCERN CN(C)c1ccc(CN2CCO[C@H](CCF)C2)c(C(F)(F)F)c1 ZINC000862530598 1329492817 /nfs/dbraw/zinc/49/28/17/1329492817.db2.gz PGERTKBACCIGGC-CQSZACIVSA-N 0 0 334.357 3.332 10 10 EGCERN Cc1cc(C(=O)N(C)OCC(F)(F)F)c(C)n1-c1ccccn1 ZINC000863849265 1329585572 /nfs/dbraw/zinc/58/55/72/1329585572.db2.gz XOANHSKXWHLUOQ-UHFFFAOYSA-N 0 0 327.306 3.055 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CCCO2)cc1 ZINC000864926714 1329652453 /nfs/dbraw/zinc/65/24/53/1329652453.db2.gz MVRUXSQLTIROQT-KRWDZBQOSA-N 0 0 342.443 3.037 10 10 EGCERN COc1ccc(N2CC[C@H](Nc3nccn4nc(C5CC5)cc34)C2)cc1 ZINC000865931435 1329752623 /nfs/dbraw/zinc/75/26/23/1329752623.db2.gz FVCVATKRIMZOSG-HNNXBMFYSA-N 0 0 349.438 3.306 10 10 EGCERN Oc1cccc2c1CN(c1nc(-c3cccnc3)nc3c1CCC3)C2 ZINC000866119293 1330067247 /nfs/dbraw/zinc/06/72/47/1330067247.db2.gz MZGNMRJXDKNRBQ-UHFFFAOYSA-N 0 0 330.391 3.253 10 10 EGCERN C[C@H](CC1CCC1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000868117320 1330251227 /nfs/dbraw/zinc/25/12/27/1330251227.db2.gz RVBPESLAUDOLDS-CQSZACIVSA-N 0 0 349.450 3.040 10 10 EGCERN C[C@@H]1C[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@H](C)O1 ZINC000868433017 1330280174 /nfs/dbraw/zinc/28/01/74/1330280174.db2.gz HSCKOGOVMSXSSA-RDBSUJKOSA-N 0 0 336.395 3.148 10 10 EGCERN O=C(NCc1ccccc1O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000869041168 1330400064 /nfs/dbraw/zinc/40/00/64/1330400064.db2.gz XJAFQGZNLLBDPU-WCQYABFASA-N 0 0 328.334 3.336 10 10 EGCERN Cc1cn2nc(N(C)Cc3ccc(N4CCCC4)cc3)sc2n1 ZINC001184711509 1387516003 /nfs/dbraw/zinc/51/60/03/1387516003.db2.gz UMYXIQVKMTUVPT-UHFFFAOYSA-N 0 0 327.457 3.336 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H]2c2ccccn2)cc1OC ZINC001185036949 1387593086 /nfs/dbraw/zinc/59/30/86/1387593086.db2.gz RXWNPHFNRLXUEB-CYBMUJFWSA-N 0 0 329.356 3.349 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@H](OC)C2)cc1 ZINC001324447511 1387624744 /nfs/dbraw/zinc/62/47/44/1387624744.db2.gz LQNNBZMNDZIRNX-AEFFLSMTSA-N 0 0 333.476 3.242 10 10 EGCERN Cc1cc(C(=O)N2CC[C@](O)(C(F)F)C2)c(C)n1-c1ccccc1C ZINC001325280285 1387928420 /nfs/dbraw/zinc/92/84/20/1387928420.db2.gz YAUFKSNSWQMVCO-LJQANCHMSA-N 0 0 348.393 3.245 10 10 EGCERN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c1O ZINC001196505951 1368629712 /nfs/dbraw/zinc/62/97/12/1368629712.db2.gz JVBOOVCLZBNCPE-SFHVURJKSA-N 0 0 342.414 3.445 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2c1COCC2 ZINC001118748632 1371221030 /nfs/dbraw/zinc/22/10/30/1371221030.db2.gz HJVZAFUZNKQKLF-UHFFFAOYSA-N 0 0 337.419 3.274 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCCO2)cc1F ZINC001123493797 1372488822 /nfs/dbraw/zinc/48/88/22/1372488822.db2.gz AASGPTSJSSJMEF-ROUUACIJSA-N 0 0 349.450 3.135 10 10 EGCERN C[C@@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccc(N(C)C)cc1 ZINC001123637658 1372535021 /nfs/dbraw/zinc/53/50/21/1372535021.db2.gz JKDAESKVLUYGBG-PBHICJAKSA-N 0 0 331.460 3.215 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1snnc1C1CC1 ZINC001124623656 1372717515 /nfs/dbraw/zinc/71/75/15/1372717515.db2.gz WAAKJZJIHBXLHB-UHFFFAOYSA-N 0 0 342.468 3.288 10 10 EGCERN Cc1ncccc1/C=C\C(=O)N(C)c1cccc(Br)n1 ZINC001128321545 1373251647 /nfs/dbraw/zinc/25/16/47/1373251647.db2.gz OTVWPANBZSNSQD-HJWRWDBZSA-N 0 0 332.201 3.224 10 10 EGCERN CCCCCCO[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001130826903 1373595915 /nfs/dbraw/zinc/59/59/15/1373595915.db2.gz MNRTTXGECCIOFZ-SJORKVTESA-N 0 0 348.487 3.376 10 10 EGCERN CCOC(=O)CCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136285272 1377372364 /nfs/dbraw/zinc/37/23/64/1377372364.db2.gz XTTPFLRDKNDQFN-UHFFFAOYSA-N 0 0 348.403 3.092 10 10 EGCERN CNc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(Cl)c1 ZINC001136340313 1377379752 /nfs/dbraw/zinc/37/97/52/1377379752.db2.gz LTPAHKDWLGTFFE-UHFFFAOYSA-N 0 0 345.830 3.471 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)c1c2nc[nH]c2ccc1F ZINC001136744106 1377419156 /nfs/dbraw/zinc/41/91/56/1377419156.db2.gz KLDAGNQGZBHQNX-UHFFFAOYSA-N 0 0 326.375 3.006 10 10 EGCERN COCCN(Cc1ccc(C)o1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137339168 1377524113 /nfs/dbraw/zinc/52/41/13/1377524113.db2.gz JFYYQXQUGAETGR-UHFFFAOYSA-N 0 0 344.371 3.039 10 10 EGCERN O=C(C[C@@H]1CCCN1C(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC001137688610 1377592075 /nfs/dbraw/zinc/59/20/75/1377592075.db2.gz NDDYJENTKJDMLL-AWEZNQCLSA-N 0 0 343.354 3.115 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C)c2ccc(F)cc12 ZINC001140198537 1378030621 /nfs/dbraw/zinc/03/06/21/1378030621.db2.gz HUIQTSXDJCAWHH-UHFFFAOYSA-N 0 0 347.386 3.439 10 10 EGCERN Cc1c(Br)cccc1CNC(=O)C1=CC(=O)CS1 ZINC001143750300 1378640985 /nfs/dbraw/zinc/64/09/85/1378640985.db2.gz KUSAOUFPKRDUPF-UHFFFAOYSA-N 0 0 326.215 3.455 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)c3cc(Cl)no3)cc2)CC1 ZINC001144771691 1378770863 /nfs/dbraw/zinc/77/08/63/1378770863.db2.gz CKGYMZXFSNWQSE-UHFFFAOYSA-N 0 0 333.819 3.494 10 10 EGCERN COc1c(F)cc(F)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001149492168 1379389998 /nfs/dbraw/zinc/38/99/98/1379389998.db2.gz XZYKXSUJEMZQKQ-UHFFFAOYSA-N 0 0 334.282 3.388 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(Cc2ccccc2F)CC1 ZINC001149535728 1379400506 /nfs/dbraw/zinc/40/05/06/1379400506.db2.gz UXCIJXRRDHSEND-UHFFFAOYSA-N 0 0 343.398 3.261 10 10 EGCERN CC(C)CCOc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001153791747 1380130683 /nfs/dbraw/zinc/13/06/83/1380130683.db2.gz IKPPNCKIPRRZNY-UHFFFAOYSA-N 0 0 329.396 3.453 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(Cl)c1Cl ZINC001154027551 1380185138 /nfs/dbraw/zinc/18/51/38/1380185138.db2.gz WOESISFYFCEBDC-MRVPVSSYSA-N 0 0 341.194 3.161 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CCCC2=O)c1 ZINC001154559410 1380305599 /nfs/dbraw/zinc/30/55/99/1380305599.db2.gz FODRZKZFEYDPGF-MRXNPFEDSA-N 0 0 338.407 3.006 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001328089063 1388668158 /nfs/dbraw/zinc/66/81/58/1388668158.db2.gz WEADKDIGOUOGGL-PJQZNRQZSA-N 0 0 340.370 3.195 10 10 EGCERN CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001160600140 1382150586 /nfs/dbraw/zinc/15/05/86/1382150586.db2.gz POLJAXDCGBTZET-NSHDSACASA-N 0 0 345.270 3.436 10 10 EGCERN Cc1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)nc2ccccc12 ZINC001292647340 1382206618 /nfs/dbraw/zinc/20/66/18/1382206618.db2.gz FWLMPKBXRWDVJT-UHFFFAOYSA-N 0 0 348.366 3.031 10 10 EGCERN CCCCOCCCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001294383888 1382451832 /nfs/dbraw/zinc/45/18/32/1382451832.db2.gz VBISYDNWRHKZQW-UHFFFAOYSA-N 0 0 332.448 3.135 10 10 EGCERN Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccc1O ZINC001162109318 1382630833 /nfs/dbraw/zinc/63/08/33/1382630833.db2.gz ZUEKSMDVLDZYKQ-OAHLLOKOSA-N 0 0 326.440 3.436 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1csc(-c2ccccc2)n1 ZINC001162278475 1382719023 /nfs/dbraw/zinc/71/90/23/1382719023.db2.gz INYACUBEEHERFL-UHFFFAOYSA-N 0 0 326.377 3.151 10 10 EGCERN O=C(Cc1ccc(O)c(Cl)c1)NCc1ccc2cccnc2c1O ZINC001162613164 1382809652 /nfs/dbraw/zinc/80/96/52/1382809652.db2.gz XUQXDAVEIRALBI-UHFFFAOYSA-N 0 0 342.782 3.158 10 10 EGCERN CC(C)c1ccc(O[C@H](C)CNC(=O)c2cccc(O)c2O)cc1 ZINC001297630296 1383199474 /nfs/dbraw/zinc/19/94/74/1383199474.db2.gz XKNGHFPZEPUAOR-CYBMUJFWSA-N 0 0 329.396 3.419 10 10 EGCERN CN(C)c1nccc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc21 ZINC001298099775 1383358137 /nfs/dbraw/zinc/35/81/37/1383358137.db2.gz YYKBGQWFCSKXLV-YWEYNIOJSA-N 0 0 349.390 3.364 10 10 EGCERN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccn1 ZINC001166539435 1383434602 /nfs/dbraw/zinc/43/46/02/1383434602.db2.gz PDTRFRRNDGEAIR-JTQLQIEISA-N 0 0 328.393 3.241 10 10 EGCERN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001299160417 1383478079 /nfs/dbraw/zinc/47/80/79/1383478079.db2.gz JMQKSCPWFCYFAX-XOVSCCBYSA-N 0 0 329.371 3.340 10 10 EGCERN Cc1cc(F)cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1N ZINC001299477532 1383539216 /nfs/dbraw/zinc/53/92/16/1383539216.db2.gz AVRADTBVDKAQPK-CQSZACIVSA-N 0 0 343.446 3.452 10 10 EGCERN Cn1c2ccccc2c(Cl)c1C(=O)NCc1ccc(O)cc1O ZINC001299571449 1383572343 /nfs/dbraw/zinc/57/23/43/1383572343.db2.gz WEMURNUWMMBGFG-UHFFFAOYSA-N 0 0 330.771 3.173 10 10 EGCERN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1-c1ccccn1 ZINC001167291067 1383586433 /nfs/dbraw/zinc/58/64/33/1383586433.db2.gz SHJCFQZEJZZAPG-UHFFFAOYSA-N 0 0 335.407 3.433 10 10 EGCERN CN1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)c2ccccc21 ZINC001299724097 1383623831 /nfs/dbraw/zinc/62/38/31/1383623831.db2.gz BOUWMRKJRKBKSG-KRWDZBQOSA-N 0 0 347.418 3.180 10 10 EGCERN COc1cc(C(=O)NCc2c(O)cccc2O)cc(OC)c1C(C)C ZINC001304053817 1383826098 /nfs/dbraw/zinc/82/60/98/1383826098.db2.gz SRWUPBLYLSPWQD-UHFFFAOYSA-N 0 0 345.395 3.168 10 10 EGCERN COC(=O)c1cnc(NCc2ccccc2O)c(C(F)(F)F)c1 ZINC001306947883 1383924422 /nfs/dbraw/zinc/92/44/22/1383924422.db2.gz XDJHGZPMIDIFDH-UHFFFAOYSA-N 0 0 326.274 3.205 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@@H](C)C3)C2)cc1 ZINC001312994064 1384385357 /nfs/dbraw/zinc/38/53/57/1384385357.db2.gz HTGDNBSMJVSIPB-CVEARBPZSA-N 0 0 331.460 3.106 10 10 EGCERN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001171730166 1384616491 /nfs/dbraw/zinc/61/64/91/1384616491.db2.gz LOBLGKPPXAYPAN-JTQLQIEISA-N 0 0 345.311 3.008 10 10 EGCERN COc1ccc(N(C)CCN(C)Cc2nc(CCC(C)C)no2)cc1 ZINC001171729003 1384616642 /nfs/dbraw/zinc/61/66/42/1384616642.db2.gz DJPPMWNXYBPKSR-UHFFFAOYSA-N 0 0 346.475 3.235 10 10 EGCERN O=C(COc1ccc(Cl)cc1Cl)NCc1cc(O)ccc1O ZINC001176748328 1385681550 /nfs/dbraw/zinc/68/15/50/1385681550.db2.gz OYYBYVKCGAXMFE-UHFFFAOYSA-N 0 0 342.178 3.100 10 10 EGCERN Cc1nc(-c2c[nH]c(C(=O)NCc3c(O)cccc3F)c2)cs1 ZINC001178410072 1386209657 /nfs/dbraw/zinc/20/96/57/1386209657.db2.gz LAJOPRFECPVHDT-UHFFFAOYSA-N 0 0 331.372 3.221 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1c[nH]c2cc(=O)ccc-2c1 ZINC001180419628 1386791202 /nfs/dbraw/zinc/79/12/02/1386791202.db2.gz BMHUVNSQSRNJEG-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)OC3CCCCC3)C2)cc1 ZINC001329351014 1389071964 /nfs/dbraw/zinc/07/19/64/1389071964.db2.gz HOQPMGJTROXOTH-JKSUJKDBSA-N 0 0 346.471 3.128 10 10 EGCERN C[C@H](NC(=O)NCc1cccc(C(F)(F)F)n1)c1ccccc1O ZINC001329960496 1389274491 /nfs/dbraw/zinc/27/44/91/1389274491.db2.gz LWIHZBKKSGJQHQ-JTQLQIEISA-N 0 0 339.317 3.366 10 10 EGCERN O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc2cc(O)c(O)cc2s1 ZINC001332318409 1390085218 /nfs/dbraw/zinc/08/52/18/1390085218.db2.gz PINWLTQXXWPJDZ-BBBLOLIVSA-N 0 0 339.363 3.476 10 10 EGCERN CN1CCCc2cc(CNC(=O)CC3(C(F)(F)F)CC3)ccc21 ZINC001342288533 1390596740 /nfs/dbraw/zinc/59/67/40/1390596740.db2.gz JMZBLDOTRMJDGC-UHFFFAOYSA-N 0 0 326.362 3.418 10 10 EGCERN COc1ccc(N2CCN(C(=O)CC3(C(F)(F)F)CC3)CC2)cc1 ZINC001343726684 1390733406 /nfs/dbraw/zinc/73/34/06/1390733406.db2.gz SFVDIVNHEWHVRH-UHFFFAOYSA-N 0 0 342.361 3.076 10 10 EGCERN CC1(C)C[C@]1(C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 ZINC001347233322 1391035904 /nfs/dbraw/zinc/03/59/04/1391035904.db2.gz IJZNPHRQNTVUFE-LJQANCHMSA-N 0 0 329.371 3.221 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(CO)cc1 ZINC001347804296 1391127030 /nfs/dbraw/zinc/12/70/30/1391127030.db2.gz KTNHMPQELYLTGE-UHFFFAOYSA-N 0 0 326.396 3.085 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2c(c1)ncn2C ZINC001349119011 1391304227 /nfs/dbraw/zinc/30/42/27/1391304227.db2.gz PYYOUPGCJZKPKU-UHFFFAOYSA-N 0 0 348.450 3.446 10 10 EGCERN CN(C)c1ccc(CN(C(=O)[C@@H]2Cc3cccnc3C2)C2CC2)cc1 ZINC001350759848 1391527201 /nfs/dbraw/zinc/52/72/01/1391527201.db2.gz VLBYJRVSNARJJF-QGZVFWFLSA-N 0 0 335.451 3.054 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1cc(C2CC2)cn1 ZINC001351671974 1391667846 /nfs/dbraw/zinc/66/78/46/1391667846.db2.gz BUNDEAAQXAAICI-UHFFFAOYSA-N 0 0 338.455 3.019 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1ncc2ccccc21 ZINC001352615565 1391823669 /nfs/dbraw/zinc/82/36/69/1391823669.db2.gz QETGPBBDZWAIAQ-UHFFFAOYSA-N 0 0 348.450 3.295 10 10 EGCERN CC[C@@H](C)c1nnc(N(C)OC)n1CCCSc1nccs1 ZINC001495204294 1396524244 /nfs/dbraw/zinc/52/42/44/1396524244.db2.gz ZXCGLTKFZPGTAG-LLVKDONJSA-N 0 0 341.506 3.428 10 10 EGCERN Cc1nnc(N2CCCC2(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001693001646 1406006733 /nfs/dbraw/zinc/00/67/33/1406006733.db2.gz AHQKGJGAWKUHGW-UHFFFAOYSA-N 0 0 327.476 3.388 10 10 EGCERN Cc1nnc(N2CCC[C@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001693500782 1406023340 /nfs/dbraw/zinc/02/33/40/1406023340.db2.gz HUSURVNPEXYJNS-CQSZACIVSA-N 0 0 325.460 3.006 10 10 EGCERN CCC/C=C/CCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001714954755 1419695617 /nfs/dbraw/zinc/69/56/17/1419695617.db2.gz RCMOGVKYNDCPSO-CUOHDCKHSA-N 0 0 343.431 3.009 10 10 EGCERN Cc1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001726389692 1427056607 /nfs/dbraw/zinc/05/66/07/1427056607.db2.gz GIRBNBTVBGWVFD-CQSZACIVSA-N 0 0 345.466 3.466 10 10 EGCERN CS[C@@H](C)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001731039099 1427187590 /nfs/dbraw/zinc/18/75/90/1427187590.db2.gz HDUGZDKFSNFXHW-ZDUSSCGKSA-N 0 0 346.500 3.324 10 10 EGCERN CCc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000055878066 214346102 /nfs/dbraw/zinc/34/61/02/214346102.db2.gz QRGGLEGJECJUIM-UHFFFAOYSA-N 0 0 328.412 3.203 10 10 EGCERN CN(C)c1ccc(C[N@@H+]2Cc3cc(Cl)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC000008698965 282289886 /nfs/dbraw/zinc/28/98/86/282289886.db2.gz DMZAGJQVRLTDMY-GOSISDBHSA-N 0 0 344.842 3.418 10 10 EGCERN Cc1ccc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)cc1 ZINC000040888279 213397669 /nfs/dbraw/zinc/39/76/69/213397669.db2.gz ZQSVLAAWLNQKFD-ZSOIEALJSA-N 0 0 349.477 3.395 10 10 EGCERN Cc1c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cnn1C ZINC000035657310 213043947 /nfs/dbraw/zinc/04/39/47/213043947.db2.gz OKVNROMTIQHRMB-GDNBJRDFSA-N 0 0 343.477 3.172 10 10 EGCERN COc1ccc(N(CCC(N)=O)Cc2ccc(F)cc2Cl)cc1 ZINC000015554201 211830573 /nfs/dbraw/zinc/83/05/73/211830573.db2.gz ULKMPNLTAPCLRK-UHFFFAOYSA-N 0 0 336.794 3.370 10 10 EGCERN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O ZINC000006224545 135673922 /nfs/dbraw/zinc/67/39/22/135673922.db2.gz ORIZEWLEDYPLOP-WIOAZZGGSA-N 0 0 346.452 3.358 10 10 EGCERN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NC3CC3)C2=O)cc1 ZINC000102661077 286325808 /nfs/dbraw/zinc/32/58/08/286325808.db2.gz HMVZSSKTXPAVRX-XMHGGMMESA-N 0 0 347.418 3.472 10 10 EGCERN Oc1ccc(F)cc1CN[C@H](c1ncon1)c1ccc(Cl)cc1 ZINC000180897429 455262621 /nfs/dbraw/zinc/26/26/21/455262621.db2.gz FIGUKLNBENRAHV-HNNXBMFYSA-N 0 0 333.750 3.447 10 10 EGCERN COc1ccc2c(c1)CCN2CC(=O)NC1(c2ccccc2)CCC1 ZINC000058959740 454248278 /nfs/dbraw/zinc/24/82/78/454248278.db2.gz XMHCRRSHLOUVIH-UHFFFAOYSA-N 0 0 336.435 3.253 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cnc2ccccc2c1 ZINC000131640228 454272395 /nfs/dbraw/zinc/27/23/95/454272395.db2.gz SKJUFEXZPMNWRW-UHFFFAOYSA-N 0 0 347.418 3.269 10 10 EGCERN COc1ccc(N2CCN(c3ncnc4ccc(F)cc43)CC2)cc1 ZINC000080146230 454540895 /nfs/dbraw/zinc/54/08/95/454540895.db2.gz GOCFAUZEFFFFGF-UHFFFAOYSA-N 0 0 338.386 3.104 10 10 EGCERN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000051158577 454612246 /nfs/dbraw/zinc/61/22/46/454612246.db2.gz FZSRLXNJEJPTEJ-UHFFFAOYSA-N 0 0 327.384 3.238 10 10 EGCERN CN1CCCc2cc(/C=C\C(=O)NC[C@H]3Cc4ccccc4O3)ccc21 ZINC000106165505 454683544 /nfs/dbraw/zinc/68/35/44/454683544.db2.gz IRHMXBGOYHJSOB-ZMOVQZPESA-N 0 0 348.446 3.202 10 10 EGCERN CCCOc1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)c(O)c1 ZINC000093457948 454717053 /nfs/dbraw/zinc/71/70/53/454717053.db2.gz KYLPBTADKGLNEO-HXUWFJFHSA-N 0 0 343.423 3.460 10 10 EGCERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000179523451 455055229 /nfs/dbraw/zinc/05/52/29/455055229.db2.gz NYIBTYGJMBHIKF-LBPRGKRZSA-N 0 0 332.425 3.191 10 10 EGCERN Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000179729260 455070369 /nfs/dbraw/zinc/07/03/69/455070369.db2.gz GNDDZHLEYGCCCW-KRWDZBQOSA-N 0 0 339.439 3.255 10 10 EGCERN CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156482280 455123540 /nfs/dbraw/zinc/12/35/40/455123540.db2.gz FLQYCPPQOOLTCM-ZWNOBZJWSA-N 0 0 333.259 3.070 10 10 EGCERN Cc1cc(Cl)cc(CN2CCN(Cc3ccncc3)CC2)c1O ZINC000182044102 455423211 /nfs/dbraw/zinc/42/32/11/455423211.db2.gz RETDNBFJVRORNO-UHFFFAOYSA-N 0 0 331.847 3.067 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCCn3ncnc32)c(C)n1-c1ccccc1C ZINC000175709536 455485820 /nfs/dbraw/zinc/48/58/20/455485820.db2.gz WNZDKFLHOPCLIE-QGZVFWFLSA-N 0 0 349.438 3.259 10 10 EGCERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC000182479151 455521888 /nfs/dbraw/zinc/52/18/88/455521888.db2.gz XKTCBQOFFMLNHB-DZGCQCFKSA-N 0 0 341.407 3.433 10 10 EGCERN COc1ccc(N(Cc2ccco2)Cc2nc(N(C)C)no2)cc1F ZINC000185275516 455532740 /nfs/dbraw/zinc/53/27/40/455532740.db2.gz ZAMBUVSFYMYQHH-UHFFFAOYSA-N 0 0 346.362 3.083 10 10 EGCERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(F)c[nH]2)cc1 ZINC000292869675 455763949 /nfs/dbraw/zinc/76/39/49/455763949.db2.gz BFWFIZHQGFGPOT-QGZVFWFLSA-N 0 0 345.418 3.041 10 10 EGCERN COc1c([O-])c(C[N@H+](C)CCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278176234 455778135 /nfs/dbraw/zinc/77/81/35/455778135.db2.gz GJCRLHVSBISQJP-UHFFFAOYSA-N 0 0 334.347 3.123 10 10 EGCERN COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294138087 455806172 /nfs/dbraw/zinc/80/61/72/455806172.db2.gz HFNAQNRYFZUVFY-OAHLLOKOSA-N 0 0 325.767 3.017 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295867082 455861912 /nfs/dbraw/zinc/86/19/12/455861912.db2.gz YSLGZNXVTDVXEB-IQIBNGDESA-N 0 0 348.399 3.032 10 10 EGCERN COc1cc(C)cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000280733850 456041211 /nfs/dbraw/zinc/04/12/11/456041211.db2.gz DRTDHKXDRIQXSR-GFCCVEGCSA-N 0 0 344.411 3.476 10 10 EGCERN CC(C)(C)C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301631445 456168347 /nfs/dbraw/zinc/16/83/47/456168347.db2.gz BPRWJICDVFVMFO-UHFFFAOYSA-N 0 0 333.388 3.188 10 10 EGCERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2(CCF)CC2)cc1 ZINC000289906366 456176289 /nfs/dbraw/zinc/17/62/89/456176289.db2.gz TWAVLKNTSYEZQM-SFHVURJKSA-N 0 0 348.462 3.400 10 10 EGCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC4(CCCC4)CC3)cc2N1 ZINC000301711463 456193817 /nfs/dbraw/zinc/19/38/17/456193817.db2.gz XYGDQHVFIRWORM-UHFFFAOYSA-N 0 0 331.372 3.086 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000282974850 456678620 /nfs/dbraw/zinc/67/86/20/456678620.db2.gz PEBHSOPVASWSHH-MRXNPFEDSA-N 0 0 342.443 3.125 10 10 EGCERN CC1(CNC(=O)NCc2cccc(Br)c2O)CCC1 ZINC000277409903 456814967 /nfs/dbraw/zinc/81/49/67/456814967.db2.gz KJPOQJADTJWPGB-UHFFFAOYSA-N 0 0 327.222 3.144 10 10 EGCERN Cn1cc(CN2CCc3cc(F)c(F)cc32)c(-c2cccnc2)n1 ZINC000360956371 457464232 /nfs/dbraw/zinc/46/42/32/457464232.db2.gz GPAMQSIVGBANJM-UHFFFAOYSA-N 0 0 326.350 3.323 10 10 EGCERN CC[C@H](NC(=O)N1CCOc2cc(N(C)C)ccc21)C(F)(F)F ZINC000347622923 457556550 /nfs/dbraw/zinc/55/65/50/457556550.db2.gz MZKUJRAZNVWOAM-ZDUSSCGKSA-N 0 0 331.338 3.002 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC([C@@H]2CCOC2)C1 ZINC000375107510 457794925 /nfs/dbraw/zinc/79/49/25/457794925.db2.gz BNEYKBRESPDYQM-CQSZACIVSA-N 0 0 330.453 3.264 10 10 EGCERN COc1ccc(O)c(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)c1 ZINC000371477060 457952776 /nfs/dbraw/zinc/95/27/76/457952776.db2.gz IOIURNIYBIXEPS-UHFFFAOYSA-N 0 0 343.423 3.019 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCOc3cccc(F)c3C2)cc1OC ZINC000377111841 458465628 /nfs/dbraw/zinc/46/56/28/458465628.db2.gz CGNJPCXJFBUVDL-UHFFFAOYSA-N 0 0 348.330 3.150 10 10 EGCERN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000529645963 459831917 /nfs/dbraw/zinc/83/19/17/459831917.db2.gz XUPVREZDTAXODY-MRXNPFEDSA-N 0 0 346.858 3.418 10 10 EGCERN COc1ccc2c(c1)N(C(=O)c1cn(C)nc1-c1cccnc1)CCC2 ZINC000622970927 460369851 /nfs/dbraw/zinc/36/98/51/460369851.db2.gz XSDPNFHKFVEROU-UHFFFAOYSA-N 0 0 348.406 3.084 10 10 EGCERN CO[C@H](C)CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000726702632 574567204 /nfs/dbraw/zinc/56/72/04/574567204.db2.gz OCAPMGCFKLNPBF-MRXNPFEDSA-N 0 0 343.471 3.361 10 10 EGCERN c1cnc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000727468499 574669957 /nfs/dbraw/zinc/66/99/57/574669957.db2.gz IWYKHLLEEQTNCJ-UHFFFAOYSA-N 0 0 333.435 3.361 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000728979259 574790716 /nfs/dbraw/zinc/79/07/16/574790716.db2.gz DIKNBCXVWGDCPX-DYZYQPBXSA-N 0 0 347.798 3.235 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1ccc(F)cc1 ZINC000730110374 574920675 /nfs/dbraw/zinc/92/06/75/574920675.db2.gz PAXAOFATKUGHDN-UHFFFAOYSA-N 0 0 328.387 3.123 10 10 EGCERN CCCc1nnnn1CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000731566234 575081830 /nfs/dbraw/zinc/08/18/30/575081830.db2.gz VTDKIPHOZCGRQJ-UHFFFAOYSA-N 0 0 341.390 3.055 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000734665441 575534469 /nfs/dbraw/zinc/53/44/69/575534469.db2.gz OHZRYGBSOGCTLY-LJQANCHMSA-N 0 0 337.467 3.418 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)COc2ccc(O)cc2)cc1F ZINC000742253004 576762751 /nfs/dbraw/zinc/76/27/51/576762751.db2.gz FDFVFCMNHGZKAT-UHFFFAOYSA-N 0 0 346.402 3.073 10 10 EGCERN Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000742468260 576786096 /nfs/dbraw/zinc/78/60/96/576786096.db2.gz BCLDCSISHFNXGM-KRWDZBQOSA-N 0 0 340.471 3.368 10 10 EGCERN CN(C)c1ccc(/C=C/C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000032841688 1291382239 /nfs/dbraw/zinc/38/22/39/1291382239.db2.gz JDBOOFIAJSWWPF-KVDXNUTJSA-N 0 0 349.478 3.281 10 10 EGCERN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCCN3C)c1 ZINC000114574680 1293171975 /nfs/dbraw/zinc/17/19/75/1293171975.db2.gz YUTPPPJEJCKVGL-UHFFFAOYSA-N 0 0 341.411 3.105 10 10 EGCERN COc1cc(N(C)Cc2nc(CCC(C)C)no2)cc(OC)c1OC ZINC000131062218 1293678272 /nfs/dbraw/zinc/67/82/72/1293678272.db2.gz CGJBZTDHMBFOCV-UHFFFAOYSA-N 0 0 349.431 3.320 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1COc2ccccc2C1 ZINC000174519380 1294505650 /nfs/dbraw/zinc/50/56/50/1294505650.db2.gz GBAWPGHYKPZSHP-MRXNPFEDSA-N 0 0 337.419 3.139 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000179536615 1294801310 /nfs/dbraw/zinc/80/13/10/1294801310.db2.gz BNCLUEHWDGRAAI-UHFFFAOYSA-N 0 0 348.805 3.450 10 10 EGCERN Cc1c(NC(=O)NCc2ccc(N(C)C)cc2)cccc1N(C)C ZINC000180163187 1294863909 /nfs/dbraw/zinc/86/39/09/1294863909.db2.gz HMAAVQHBASWLIH-UHFFFAOYSA-N 0 0 326.444 3.449 10 10 EGCERN CCOc1ccc(OCCCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199223 1296268650 /nfs/dbraw/zinc/26/86/50/1296268650.db2.gz NVZFQUMBHIKMNW-UHFFFAOYSA-N 0 0 341.407 3.492 10 10 EGCERN CCCOc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(OC)c1 ZINC000871205633 1296273434 /nfs/dbraw/zinc/27/34/34/1296273434.db2.gz WGYISTJNORGZHX-UHFFFAOYSA-N 0 0 327.380 3.346 10 10 EGCERN C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000872114917 1296742648 /nfs/dbraw/zinc/74/26/48/1296742648.db2.gz YTFUMSYDVYOEGG-GHMZBOCLSA-N 0 0 331.334 3.405 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000873860842 1297707737 /nfs/dbraw/zinc/70/77/37/1297707737.db2.gz ZWKNNNMHQZMIHC-IAGOWNOFSA-N 0 0 346.471 3.079 10 10 EGCERN [O-]c1c(Br)cc(Cl)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000708139176 1298235624 /nfs/dbraw/zinc/23/56/24/1298235624.db2.gz FWHSJOARLJDUJV-LBPRGKRZSA-N 0 0 345.668 3.088 10 10 EGCERN CC[NH+](CC)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715761817 1298286830 /nfs/dbraw/zinc/28/68/30/1298286830.db2.gz UVVVSULCULYXSE-CYBMUJFWSA-N 0 0 345.256 3.210 10 10 EGCERN C[C@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000878437097 1300000911 /nfs/dbraw/zinc/00/09/11/1300000911.db2.gz JQJRGHWSBRYUGE-FNHZYXHNSA-N 0 0 328.456 3.137 10 10 EGCERN COC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000886360244 1303447229 /nfs/dbraw/zinc/44/72/29/1303447229.db2.gz SFBDCZTZLNDVRZ-YGRLFVJLSA-N 0 0 334.243 3.230 10 10 EGCERN CC(=O)c1cncc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000887961955 1303992618 /nfs/dbraw/zinc/99/26/18/1303992618.db2.gz ZOQLBSLXWUHBSM-UHFFFAOYSA-N 0 0 337.423 3.155 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000894088564 1306211383 /nfs/dbraw/zinc/21/13/83/1306211383.db2.gz LSUHRMCPTKDHMM-HZMBPMFUSA-N 0 0 344.224 3.295 10 10 EGCERN COc1cc(C)cc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)c1O ZINC000895190522 1309230290 /nfs/dbraw/zinc/23/02/90/1309230290.db2.gz SHBQOHOOXOGATQ-TZMCWYRMSA-N 0 0 333.350 3.299 10 10 EGCERN CCc1cccc(CN2CCn3cnc(C(F)(F)F)c3C2)c1O ZINC000895558531 1309400154 /nfs/dbraw/zinc/40/01/54/1309400154.db2.gz ANTIIAYBZQQEII-UHFFFAOYSA-N 0 0 325.334 3.186 10 10 EGCERN COc1cc(Cl)cc(CN2CC[C@](OC)(C(F)(F)F)C2)c1O ZINC000895578318 1309411810 /nfs/dbraw/zinc/41/18/10/1309411810.db2.gz YUYCTMBWJYLGOJ-CYBMUJFWSA-N 0 0 339.741 3.207 10 10 EGCERN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779425 1309515383 /nfs/dbraw/zinc/51/53/83/1309515383.db2.gz OMTBFVPQIFCFGA-TXEJJXNPSA-N 0 0 328.275 3.258 10 10 EGCERN CC(C)C[C@@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896354724 1309819696 /nfs/dbraw/zinc/81/96/96/1309819696.db2.gz NYQOTNKWDMNBID-GFCCVEGCSA-N 0 0 335.425 3.200 10 10 EGCERN CCO[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000896665358 1309965636 /nfs/dbraw/zinc/96/56/36/1309965636.db2.gz LGSADTDMNZILML-JKSUJKDBSA-N 0 0 347.436 3.390 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](C2CCOCC2)C1 ZINC000897210577 1310223140 /nfs/dbraw/zinc/22/31/40/1310223140.db2.gz DPSNBUSWFBOHCD-LBPRGKRZSA-N 0 0 347.436 3.201 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](OC(F)F)C1 ZINC000897354503 1310304880 /nfs/dbraw/zinc/30/48/80/1310304880.db2.gz YHPQGIVMPCPAFN-SECBINFHSA-N 0 0 343.351 3.156 10 10 EGCERN C[C@H](O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1F ZINC000858185801 1328706617 /nfs/dbraw/zinc/70/66/17/1328706617.db2.gz YLEQVVDUGUNXJB-VOJFVSQTSA-N 0 0 338.373 3.382 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1[O-] ZINC000858210932 1328712962 /nfs/dbraw/zinc/71/29/62/1328712962.db2.gz AZZACSZTUKPKMJ-HNNXBMFYSA-N 0 0 348.786 3.185 10 10 EGCERN COc1cccc(F)c1[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858251969 1328722601 /nfs/dbraw/zinc/72/26/01/1328722601.db2.gz UTTBIPAUECSKKF-GFCCVEGCSA-N 0 0 332.375 3.409 10 10 EGCERN CC(=O)NCCCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000929893382 1328732547 /nfs/dbraw/zinc/73/25/47/1328732547.db2.gz OGXSMCWRWGVONQ-UHFFFAOYSA-N 0 0 326.387 3.347 10 10 EGCERN Cc1cc(CNC(=O)NCC[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000858357145 1328744072 /nfs/dbraw/zinc/74/40/72/1328744072.db2.gz MPSVYPCZPYMKEY-KRWDZBQOSA-N 0 0 341.455 3.320 10 10 EGCERN C[C@@]1(Br)C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858452355 1328766355 /nfs/dbraw/zinc/76/63/55/1328766355.db2.gz LANUSQXJSXVEAW-GOEBONIOSA-N 0 0 337.261 3.077 10 10 EGCERN CCn1ncc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000858443110 1328763227 /nfs/dbraw/zinc/76/32/27/1328763227.db2.gz GEZGKNJEYZCYDH-CQSZACIVSA-N 0 0 331.439 3.278 10 10 EGCERN COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000858471685 1328770801 /nfs/dbraw/zinc/77/08/01/1328770801.db2.gz DWVOMDWNEZIXNP-GXSJLCMTSA-N 0 0 329.318 3.323 10 10 EGCERN COc1ccc(N(C)Cc2cc(C(F)(F)F)nn2C)c(OC)c1 ZINC000930076099 1328779369 /nfs/dbraw/zinc/77/93/69/1328779369.db2.gz CPMFHQSDMMPPFQ-UHFFFAOYSA-N 0 0 329.322 3.093 10 10 EGCERN CC[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858522611 1328787628 /nfs/dbraw/zinc/78/76/28/1328787628.db2.gz GUJHPUCTKHVNRK-RISCZKNCSA-N 0 0 333.259 3.070 10 10 EGCERN O=C(C[C@H]1CC[C@H](C2CC2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000930204850 1328810947 /nfs/dbraw/zinc/81/09/47/1328810947.db2.gz DEGXWWDVBOTPPR-RTBURBONSA-N 0 0 328.456 3.251 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1nccc2cccnc21 ZINC000930204549 1328810637 /nfs/dbraw/zinc/81/06/37/1328810637.db2.gz AGAAVYBIINBNKL-UHFFFAOYSA-N 0 0 332.407 3.160 10 10 EGCERN CN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000858650315 1328817558 /nfs/dbraw/zinc/81/75/58/1328817558.db2.gz OXFRZSYVISUHQF-CQSZACIVSA-N 0 0 334.391 3.402 10 10 EGCERN C[C@H](NS(=O)(=O)CCCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000914393064 1319317361 /nfs/dbraw/zinc/31/73/61/1319317361.db2.gz DHHFLMAOJKOLDM-LBPRGKRZSA-N 0 0 334.432 3.168 10 10 EGCERN O=C1N[C@H](c2cccc(Br)c2O)Nc2cc(F)ccc21 ZINC000917502119 1319823234 /nfs/dbraw/zinc/82/32/34/1319823234.db2.gz NFVMCSQFRDTVRE-CYBMUJFWSA-N 0 0 337.148 3.148 10 10 EGCERN C[C@H](NCc1ccc2c(c1)CCCO2)c1cn(-c2ccccc2)nn1 ZINC000921848970 1322411848 /nfs/dbraw/zinc/41/18/48/1322411848.db2.gz LEVWSVNGXHWWBR-HNNXBMFYSA-N 0 0 334.423 3.443 10 10 EGCERN C[C@@H](NC(=O)N1CCC[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000922056188 1322446630 /nfs/dbraw/zinc/44/66/30/1322446630.db2.gz WACYQCUSZHCSFT-KDOFPFPSSA-N 0 0 341.459 3.094 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922596998 1322566053 /nfs/dbraw/zinc/56/60/53/1322566053.db2.gz IULGHGKTWTXSNA-UHFFFAOYSA-N 0 0 346.254 3.110 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000922599908 1322567722 /nfs/dbraw/zinc/56/77/22/1322567722.db2.gz BZPMNCJRHRDPSY-MQMHXKEQSA-N 0 0 332.350 3.416 10 10 EGCERN CCN(CC)c1ccc(CNC2(c3ncccn3)CCOCC2)cc1 ZINC000923009164 1322672832 /nfs/dbraw/zinc/67/28/32/1322672832.db2.gz OUEBQVCZZFGLFM-UHFFFAOYSA-N 0 0 340.471 3.118 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000923397521 1322744852 /nfs/dbraw/zinc/74/48/52/1322744852.db2.gz MGUHNANCDFSZBF-OAUYIBNBSA-N 0 0 346.789 3.322 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000925169151 1325071643 /nfs/dbraw/zinc/07/16/43/1325071643.db2.gz JDSNFWRNPLMFKW-HUBLWGQQSA-N 0 0 348.830 3.246 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@]12C[C@H]1CCCC2 ZINC000925177495 1325072682 /nfs/dbraw/zinc/07/26/82/1325072682.db2.gz NKFRTKBCMJYHDE-ACJLOTCBSA-N 0 0 348.830 3.390 10 10 EGCERN C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926905182 1327767255 /nfs/dbraw/zinc/76/72/55/1327767255.db2.gz MKYKYANKPGEJCY-DRCTWCGVSA-N 0 0 348.321 3.451 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@H](c2nccs2)C(F)(F)F)c1 ZINC000861145870 1329393139 /nfs/dbraw/zinc/39/31/39/1329393139.db2.gz ZNDBOPIGLVVLGT-LLVKDONJSA-N 0 0 345.346 3.260 10 10 EGCERN COc1ccc(N2CCCN(C(=O)NC[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000927700218 1328111275 /nfs/dbraw/zinc/11/12/75/1328111275.db2.gz SRCPOYRCFGYVSJ-UZLBHIALSA-N 0 0 343.471 3.107 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@@H](C)CC3)ccc21 ZINC000928536814 1328352730 /nfs/dbraw/zinc/35/27/30/1328352730.db2.gz YUPVPMLBHSRMTB-AWEZNQCLSA-N 0 0 344.455 3.156 10 10 EGCERN O=C(NCc1c(O)cccc1F)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000928712966 1328407277 /nfs/dbraw/zinc/40/72/77/1328407277.db2.gz YVSJYFOMWSBIBF-YMRXKLBXSA-N 0 0 331.774 3.387 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC000861561690 1329426737 /nfs/dbraw/zinc/42/67/37/1329426737.db2.gz LJMGECPOBZQCPE-MRXNPFEDSA-N 0 0 341.455 3.288 10 10 EGCERN Nc1ccc(CCNC(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000861640460 1329433802 /nfs/dbraw/zinc/43/38/02/1329433802.db2.gz LWPOUGGIUSHIDN-FGTMMUONSA-N 0 0 341.842 3.102 10 10 EGCERN Cc1oc(C(C)C)nc1C(=O)NCc1ccc2cccnc2c1O ZINC000862026046 1329455834 /nfs/dbraw/zinc/45/58/34/1329455834.db2.gz FSEFNECZUQJQII-UHFFFAOYSA-N 0 0 325.368 3.290 10 10 EGCERN Oc1cccc(Br)c1CN1CCO[C@@H](C2CCC2)C1 ZINC000862391288 1329481439 /nfs/dbraw/zinc/48/14/39/1329481439.db2.gz BLXHJSFBWCPGOX-OAHLLOKOSA-N 0 0 326.234 3.156 10 10 EGCERN Oc1cccc(Br)c1CN1CCO[C@H](C2CCC2)C1 ZINC000862391287 1329481525 /nfs/dbraw/zinc/48/15/25/1329481525.db2.gz BLXHJSFBWCPGOX-HNNXBMFYSA-N 0 0 326.234 3.156 10 10 EGCERN CCC(C)(C)OC1CN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000862469790 1329489316 /nfs/dbraw/zinc/48/93/16/1329489316.db2.gz BRRSVTMIJAYAOI-UHFFFAOYSA-N 0 0 336.451 3.052 10 10 EGCERN Cc1ccc(O)c(CNC(=O)CO[C@H]2CCCc3ccccc32)c1 ZINC000862755480 1329506514 /nfs/dbraw/zinc/50/65/14/1329506514.db2.gz IBTSBSKWACLRFQ-IBGZPJMESA-N 0 0 325.408 3.411 10 10 EGCERN Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1cc(C)ccc1O ZINC000862759674 1329507394 /nfs/dbraw/zinc/50/73/94/1329507394.db2.gz JAAYXNNQBDTPFB-UHFFFAOYSA-N 0 0 329.444 3.029 10 10 EGCERN Cc1cc(C(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c(C)n1-c1ccccn1 ZINC000863007689 1329522475 /nfs/dbraw/zinc/52/24/75/1329522475.db2.gz XNLGZEGDBGLQGN-OGIUKLMXSA-N 0 0 327.428 3.031 10 10 EGCERN CCN1C(=O)/C(=C/c2ccc(OC)c(OC3CC3)c2)SC1=S ZINC000863175573 1329532099 /nfs/dbraw/zinc/53/20/99/1329532099.db2.gz KALNRPCKYOZUNI-ZROIWOOFSA-N 0 0 335.450 3.458 10 10 EGCERN CCCN(CCC)c1ccc(C[NH2+][C@@H](C(=O)[O-])[C@@H]2CCCO2)cc1 ZINC000864519683 1329621946 /nfs/dbraw/zinc/62/19/46/1329621946.db2.gz VRACBNCWPSWNRB-ZWKOTPCHSA-N 0 0 334.460 3.035 10 10 EGCERN O=C1CN(Cc2ccccc2O)C(=O)N1CC1CCC2(CC2)CC1 ZINC000865316697 1329685848 /nfs/dbraw/zinc/68/58/48/1329685848.db2.gz DOVKITTYCUOPMO-UHFFFAOYSA-N 0 0 328.412 3.127 10 10 EGCERN CCO[C@H](C(=O)NCCCSc1nccs1)C1CCCC1 ZINC000865785771 1329738267 /nfs/dbraw/zinc/73/82/67/1329738267.db2.gz SZUXFMYZWKRCBS-ZDUSSCGKSA-N 0 0 328.503 3.337 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000865859252 1329746129 /nfs/dbraw/zinc/74/61/29/1329746129.db2.gz SIEQZOPNLJFALR-HIFRSBDPSA-N 0 0 326.234 3.264 10 10 EGCERN COc1ccc(O)c(CNC(=O)c2ccc(C3CCOCC3)cc2)c1 ZINC000866767786 1330147864 /nfs/dbraw/zinc/14/78/64/1330147864.db2.gz XOEZYAUCLIZZFJ-UHFFFAOYSA-N 0 0 341.407 3.225 10 10 EGCERN COc1cc(CCNC(=O)N[C@@H](C)c2ccccc2O)ccc1C ZINC000868299343 1330268630 /nfs/dbraw/zinc/26/86/30/1330268630.db2.gz APQIZWAAQLTEIF-AWEZNQCLSA-N 0 0 328.412 3.312 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)C(C)(F)F)c1 ZINC000869068922 1330407860 /nfs/dbraw/zinc/40/78/60/1330407860.db2.gz XJQKVYNLHJPQIL-JTQLQIEISA-N 0 0 330.375 3.442 10 10 EGCERN CN(C[C@H]1CN(C2CCCCC2)C(=O)O1)c1ccc2c(c1)OCO2 ZINC001192282400 1367738274 /nfs/dbraw/zinc/73/82/74/1367738274.db2.gz IZSKRDABQWONOR-HNNXBMFYSA-N 0 0 332.400 3.005 10 10 EGCERN COc1ccc(N(CC(=O)Nc2ncccc2C)CC(C)C)cc1 ZINC001195258426 1368409198 /nfs/dbraw/zinc/40/91/98/1368409198.db2.gz NVVBWZOBDAGHSR-UHFFFAOYSA-N 0 0 327.428 3.500 10 10 EGCERN Cc1cc(C(=O)CN2CC[C@]23CCOC3)c(C)n1-c1ccc(F)cc1 ZINC001117989726 1371116923 /nfs/dbraw/zinc/11/69/23/1371116923.db2.gz MVDRJKNMEKCNKY-HXUWFJFHSA-N 0 0 342.414 3.281 10 10 EGCERN CO[C@@H]1CC[C@@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001118749238 1371220729 /nfs/dbraw/zinc/22/07/29/1371220729.db2.gz RAQGORSGAGRQAF-IEBWSBKVSA-N 0 0 326.440 3.320 10 10 EGCERN COC(=O)c1c(CN(C)Cc2nccs2)c2cc(F)ccc2n1C ZINC001119444096 1371343103 /nfs/dbraw/zinc/34/31/03/1371343103.db2.gz ZVCZLDNMOZYLNY-UHFFFAOYSA-N 0 0 347.415 3.193 10 10 EGCERN C[C@@H](NC(=O)NC1([C@H]2CCCO2)CCC1)c1ccc(N(C)C)cc1 ZINC001123637660 1372535102 /nfs/dbraw/zinc/53/51/02/1372535102.db2.gz JKDAESKVLUYGBG-RHSMWYFYSA-N 0 0 331.460 3.215 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@]2(c3ccccc3)CCCO2)cc1F ZINC001125469591 1372792691 /nfs/dbraw/zinc/79/26/91/1372792691.db2.gz VAMQQCSWUVVEKE-HXUWFJFHSA-N 0 0 342.414 3.214 10 10 EGCERN C[C@@H]1Cc2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)ccc2O1 ZINC001125535411 1372802502 /nfs/dbraw/zinc/80/25/02/1372802502.db2.gz VETDRUTYOUXXFN-GFCCVEGCSA-N 0 0 328.387 3.145 10 10 EGCERN CC[C@H](C)Oc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccn1 ZINC001125534360 1372802578 /nfs/dbraw/zinc/80/25/78/1372802578.db2.gz HTCBQDWTSMVEOI-ZDUSSCGKSA-N 0 0 345.418 3.394 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)CC2)cc1 ZINC001127275710 1373111171 /nfs/dbraw/zinc/11/11/71/1373111171.db2.gz ABDBQIQVHXOITG-BJWYYQGGSA-N 0 0 328.456 3.170 10 10 EGCERN Cc1cc(CC(=O)N[C@@]2(C)CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC001127890905 1373196725 /nfs/dbraw/zinc/19/67/25/1373196725.db2.gz RBHVDCKKYFZNMY-UZLBHIALSA-N 0 0 326.440 3.320 10 10 EGCERN C[C@H](NC(=O)c1cnc(N(C)C)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC001128137098 1373222311 /nfs/dbraw/zinc/22/23/11/1373222311.db2.gz GVGJGAKRNMDPJM-LBPRGKRZSA-N 0 0 346.862 3.358 10 10 EGCERN C/C(=C/c1cccnc1)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129215352 1373362181 /nfs/dbraw/zinc/36/21/81/1373362181.db2.gz CONPNKYBDYIMDH-LUAWRHEFSA-N 0 0 327.315 3.122 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](C)CC3)C2)cc1 ZINC001230859229 1376166145 /nfs/dbraw/zinc/16/61/45/1376166145.db2.gz URZQIJPCPDSQMM-HZPDHXFCSA-N 0 0 331.460 3.106 10 10 EGCERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cc(O)c(O)cc2s1 ZINC001135673794 1377180027 /nfs/dbraw/zinc/18/00/27/1377180027.db2.gz BJPGCNSHSZBJPL-UHFFFAOYSA-N 0 0 330.321 3.473 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C/c1cncc(O)c1 ZINC001136025306 1377303193 /nfs/dbraw/zinc/30/31/93/1377303193.db2.gz FSTJALIFDYFGFS-RMKNXTFCSA-N 0 0 337.423 3.059 10 10 EGCERN CC1SC(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)=NC1=O ZINC001136705121 1377416450 /nfs/dbraw/zinc/41/64/50/1377416450.db2.gz BHVUSWRTKYUDLF-UHFFFAOYSA-N 0 0 345.468 3.323 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(O)c(Cl)c2)c1 ZINC001137473291 1377553974 /nfs/dbraw/zinc/55/39/74/1377553974.db2.gz FBOADEMTKIPPJN-SNVBAGLBSA-N 0 0 335.787 3.180 10 10 EGCERN CCCCn1ncc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1C ZINC001137684773 1377592060 /nfs/dbraw/zinc/59/20/60/1377592060.db2.gz BNPPCRUEDDVISU-UHFFFAOYSA-N 0 0 328.376 3.406 10 10 EGCERN CCOC(=O)C[C@@H](C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001137995412 1377661430 /nfs/dbraw/zinc/66/14/30/1377661430.db2.gz DZWFLODZZLTANN-GFCCVEGCSA-N 0 0 348.468 3.475 10 10 EGCERN O=C(NC1Cc2ccccc2C1)c1cc2cc(O)c(O)cc2s1 ZINC001138086445 1377674751 /nfs/dbraw/zinc/67/47/51/1377674751.db2.gz YJQVLHBKYKEXEU-UHFFFAOYSA-N 0 0 325.389 3.210 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001142044211 1378408184 /nfs/dbraw/zinc/40/81/84/1378408184.db2.gz XKIFZXKOPGJAJS-OAQYLSRUSA-N 0 0 348.402 3.074 10 10 EGCERN Cc1cnc(Cl)cc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001142465845 1378444972 /nfs/dbraw/zinc/44/49/72/1378444972.db2.gz SZJIKZUUGAYIND-UHFFFAOYSA-N 0 0 329.831 3.356 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cnc(-c2ccccc2F)s1 ZINC001142533793 1378454427 /nfs/dbraw/zinc/45/44/27/1378454427.db2.gz QTDGHXGDYFGKAF-UHFFFAOYSA-N 0 0 344.367 3.290 10 10 EGCERN O=C(Cc1csc(-c2cccs2)n1)NCc1ccc(O)cc1O ZINC001142529752 1378454642 /nfs/dbraw/zinc/45/46/42/1378454642.db2.gz DIVYFJVURFHONY-UHFFFAOYSA-N 0 0 346.433 3.142 10 10 EGCERN C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1nc2ccccc2s1 ZINC001150460713 1379555085 /nfs/dbraw/zinc/55/50/85/1379555085.db2.gz MXFLSENFLJRWNC-NSHDSACASA-N 0 0 342.420 3.170 10 10 EGCERN Cc1cc(C(=O)NCc2nc3c([nH]2)CCCC3)c(C)n1-c1ccccn1 ZINC001156891264 1380719501 /nfs/dbraw/zinc/71/95/01/1380719501.db2.gz DPBICRGQSNTGDY-UHFFFAOYSA-N 0 0 349.438 3.021 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1cc(-n2cccn2)ccn1 ZINC001157042145 1380759416 /nfs/dbraw/zinc/75/94/16/1380759416.db2.gz ZMXUINCAZWIBCO-UHFFFAOYSA-N 0 0 344.374 3.056 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC001157101834 1380776195 /nfs/dbraw/zinc/77/61/95/1380776195.db2.gz FIDVBMATYGXGAF-KGLIPLIRSA-N 0 0 326.433 3.089 10 10 EGCERN COC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)CCC2 ZINC001289078575 1381976183 /nfs/dbraw/zinc/97/61/83/1381976183.db2.gz XBJWAZPYLGVADM-JXMROGBWSA-N 0 0 336.391 3.169 10 10 EGCERN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001294674171 1382482805 /nfs/dbraw/zinc/48/28/05/1382482805.db2.gz LNYATJUPYSWUTE-DOPJRALCSA-N 0 0 329.396 3.185 10 10 EGCERN CC(C)(Oc1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001162607041 1382806491 /nfs/dbraw/zinc/80/64/91/1382806491.db2.gz GBRUWVSWTUXXJA-UHFFFAOYSA-N 0 0 336.391 3.414 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C(=O)c1ccc(Cl)cc1 ZINC001299721110 1383622919 /nfs/dbraw/zinc/62/29/19/1383622919.db2.gz BJXAGOQVRSJQNZ-UHFFFAOYSA-N 0 0 340.766 3.093 10 10 EGCERN O=C(Nc1nccc2cc[nH]c21)c1cc2cc(O)c(O)cc2s1 ZINC001300954124 1383687325 /nfs/dbraw/zinc/68/73/25/1383687325.db2.gz BKBMWAWZJGESEM-UHFFFAOYSA-N 0 0 325.349 3.441 10 10 EGCERN COc1ccc(N2CCN(C(=O)C3=CC[C@@H](C)CC3)CC2)c(OC)c1 ZINC001302000795 1383738265 /nfs/dbraw/zinc/73/82/65/1383738265.db2.gz OFJHJVHWWDKQHF-OAHLLOKOSA-N 0 0 344.455 3.099 10 10 EGCERN CCN1CC[C@@H]1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001302262345 1383745627 /nfs/dbraw/zinc/74/56/27/1383745627.db2.gz PWLIQBCYRJOYJG-LJQANCHMSA-N 0 0 325.456 3.113 10 10 EGCERN Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC001303076500 1383781541 /nfs/dbraw/zinc/78/15/41/1383781541.db2.gz RSCBLVPFPGJCDR-RDTXWAMCSA-N 0 0 326.440 3.388 10 10 EGCERN Cc1nc2c(F)cccc2cc1C(=O)NCc1c(O)cccc1O ZINC001304053119 1383825526 /nfs/dbraw/zinc/82/55/26/1383825526.db2.gz CZMNJDGDTSDVRN-UHFFFAOYSA-N 0 0 326.327 3.024 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncnc2[nH]c(Cl)cc21 ZINC001307144011 1383944826 /nfs/dbraw/zinc/94/48/26/1383944826.db2.gz UUWSOSNFXMPMDR-GFCCVEGCSA-N 0 0 343.862 3.451 10 10 EGCERN CN(C)c1ccc(CNC(=O)CN(CC2CC2)c2ccccc2)cc1 ZINC001307549476 1384001474 /nfs/dbraw/zinc/00/14/74/1384001474.db2.gz FKPAWEYNTVLCLI-UHFFFAOYSA-N 0 0 337.467 3.285 10 10 EGCERN CCn1nnc(C)c1CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001307864428 1384045812 /nfs/dbraw/zinc/04/58/12/1384045812.db2.gz XJXICBFQNSVPQX-INIZCTEOSA-N 0 0 328.460 3.450 10 10 EGCERN COc1ccc(N(Cc2ncnn2C)Cc2ccccc2)cc1OC ZINC001308174874 1384105505 /nfs/dbraw/zinc/10/55/05/1384105505.db2.gz XISOUPKSMVSRAV-UHFFFAOYSA-N 0 0 338.411 3.039 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC001313243540 1384405355 /nfs/dbraw/zinc/40/53/55/1384405355.db2.gz PJICKBMSHZAFPO-GOSISDBHSA-N 0 0 347.503 3.488 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1CCC1CC1 ZINC001314751243 1384444729 /nfs/dbraw/zinc/44/47/29/1384444729.db2.gz QHQLPACOFUZOBN-UHFFFAOYSA-N 0 0 349.438 3.482 10 10 EGCERN CCN(C)c1ccc(CN[C@H](Cc2ccccc2)C(=O)OC)cc1 ZINC001171573876 1384567848 /nfs/dbraw/zinc/56/78/48/1384567848.db2.gz VRRVSBCLFIMLRC-LJQANCHMSA-N 0 0 326.440 3.017 10 10 EGCERN C[C@H](NC(=O)c1ncsc1Nc1cccnc1)c1ccccc1O ZINC001171730620 1384617146 /nfs/dbraw/zinc/61/71/46/1384617146.db2.gz QUMRXUCCRRSIJY-NSHDSACASA-N 0 0 340.408 3.478 10 10 EGCERN C[C@H](NC(=O)c1ccc(Nc2ccn(C)n2)cc1)c1ccccc1O ZINC001171730545 1384617367 /nfs/dbraw/zinc/61/73/67/1384617367.db2.gz NRNJNRSIVDVGGS-ZDUSSCGKSA-N 0 0 336.395 3.360 10 10 EGCERN Cc1cc(C(=O)N2C[C@@H](O)CC[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC001175788686 1385406158 /nfs/dbraw/zinc/40/61/58/1385406158.db2.gz KEXJENKAFBOULY-KDOFPFPSSA-N 0 0 326.440 3.388 10 10 EGCERN CC(C)(C)O[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001176755289 1385684676 /nfs/dbraw/zinc/68/46/76/1385684676.db2.gz OIEWFLPYMMIZCO-QGZVFWFLSA-N 0 0 329.396 3.270 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1ncccc1Oc1ccccc1 ZINC001176754767 1385684713 /nfs/dbraw/zinc/68/47/13/1385684713.db2.gz GZSAAFWBSXYCLV-UHFFFAOYSA-N 0 0 336.347 3.215 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cc(F)cc(C(F)(F)F)c1 ZINC001178910126 1386346047 /nfs/dbraw/zinc/34/60/47/1386346047.db2.gz AJHKZIQRXLLZLL-UHFFFAOYSA-N 0 0 329.249 3.186 10 10 EGCERN CC(C)Oc1ccc(Cl)cc1C(=O)NCc1c(O)cccc1O ZINC001178912725 1386346795 /nfs/dbraw/zinc/34/67/95/1386346795.db2.gz XCDFZLKURJKKNZ-UHFFFAOYSA-N 0 0 335.787 3.468 10 10 EGCERN C[C@@H](NC(=O)[C@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001346592530 1390959142 /nfs/dbraw/zinc/95/91/42/1390959142.db2.gz VPIIIEYDKHVBDX-OXQOHEQNSA-N 0 0 340.467 3.486 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)NC1CC2(CC2(F)F)C1 ZINC001347135193 1391008363 /nfs/dbraw/zinc/00/83/63/1391008363.db2.gz FMGSGBMXBZVKFO-UHFFFAOYSA-N 0 0 336.382 3.258 10 10 EGCERN C[C@@H](O)C(C)(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001347353492 1391059199 /nfs/dbraw/zinc/05/91/99/1391059199.db2.gz UTIILTODTGGJPP-MRXNPFEDSA-N 0 0 347.503 3.129 10 10 EGCERN CC(C)C(=O)c1ccc([C@@H](C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001350300505 1391443548 /nfs/dbraw/zinc/44/35/48/1391443548.db2.gz SBZNXUQREXECCC-CYBMUJFWSA-N 0 0 341.407 3.356 10 10 EGCERN O=C(C[C@H]1CC=CCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001351388086 1391635624 /nfs/dbraw/zinc/63/56/24/1391635624.db2.gz LEUMQAFUCOEIIX-HNNXBMFYSA-N 0 0 332.419 3.025 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nn(C)c2ccccc21 ZINC001352628339 1391826493 /nfs/dbraw/zinc/82/64/93/1391826493.db2.gz ZYVIDAIORYEZGK-UHFFFAOYSA-N 0 0 348.450 3.446 10 10 EGCERN C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@H](C)O1 ZINC001354577968 1392153928 /nfs/dbraw/zinc/15/39/28/1392153928.db2.gz TZAWPSKWINVSBK-PEBVRCNWSA-N 0 0 349.386 3.214 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@H]1CCCS1 ZINC001503487360 1396256652 /nfs/dbraw/zinc/25/66/52/1396256652.db2.gz LIEUWBLGKXTDGF-HNNXBMFYSA-N 0 0 344.484 3.393 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492800697 1396324378 /nfs/dbraw/zinc/32/43/78/1396324378.db2.gz JSUFBEABKLCHKW-OLZOCXBDSA-N 0 0 331.439 3.075 10 10 EGCERN Cc1nnc(N2CC[C@H]3CCC[C@@H]32)n1Cc1ccc(N(C)C)c(F)c1 ZINC001707894001 1417388510 /nfs/dbraw/zinc/38/85/10/1417388510.db2.gz PXKUBOURXSZCBR-WBVHZDCISA-N 0 0 343.450 3.219 10 10 EGCERN CCOCc1nnc(N(C)Cc2ccccc2O)n1CC1(C)CCC1 ZINC001710648426 1417469511 /nfs/dbraw/zinc/46/95/11/1417469511.db2.gz LFDLIQWCJKAETR-UHFFFAOYSA-N 0 0 344.459 3.347 10 10 EGCERN CC/C=C\Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001727863176 1427126847 /nfs/dbraw/zinc/12/68/47/1427126847.db2.gz PDIACDCGOMDOCB-HQQUCIOCSA-N 0 0 342.443 3.090 10 10 EGCERN CC/C=C/Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC001727871586 1427127413 /nfs/dbraw/zinc/12/74/13/1427127413.db2.gz DRLZXPHXDUTXSB-BBOMDTFKSA-N 0 0 342.443 3.438 10 10 EGCERN Cc1nnc(N2CC[C@H](C3CC3)C2)n1Cc1ccc(N(C)C)cc1C ZINC001742139759 1439508806 /nfs/dbraw/zinc/50/88/06/1439508806.db2.gz UEQKDZCDCIPOPA-SFHVURJKSA-N 0 0 339.487 3.246 10 10 EGCERN Cc1nnc(N2CCC(C)CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001742788200 1439524475 /nfs/dbraw/zinc/52/44/75/1439524475.db2.gz NPYCWTOFLUSQSO-UHFFFAOYSA-N 0 0 339.487 3.254 10 10 EGCERN CCc1nnc(N2C[C@@H]3CCC[C@@H]32)n1CCCSc1nccs1 ZINC001744599530 1439669865 /nfs/dbraw/zinc/66/98/65/1439669865.db2.gz ILBGZKSKFVCADV-STQMWFEESA-N 0 0 349.529 3.468 10 10 EGCERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@H]1C[C@H]1C ZINC001762514734 1441375969 /nfs/dbraw/zinc/37/59/69/1441375969.db2.gz WBGODTMGGKSWMC-QAPCUYQASA-N 0 0 339.487 3.479 10 10 EGCERN CC[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001763340886 1441383145 /nfs/dbraw/zinc/38/31/45/1441383145.db2.gz XTKCCTAKGSORDH-HNNXBMFYSA-N 0 0 345.466 3.466 10 10 EGCERN CCc1nnc(N2CC=CCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001764780486 1441392443 /nfs/dbraw/zinc/39/24/43/1441392443.db2.gz JDPBVVWWMMWZCO-UHFFFAOYSA-N 0 0 337.471 3.038 10 10 EGCERN COCCCCn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC001769672823 1441410595 /nfs/dbraw/zinc/41/05/95/1441410595.db2.gz LGAUBRZMXGPUOA-UHFFFAOYSA-N 0 0 346.475 3.245 10 10 EGCERN CN(C)c1ccc(CNC(=O)CCc2ccc3c(ccn3C)c2)cc1 ZINC000075550609 216634389 /nfs/dbraw/zinc/63/43/89/216634389.db2.gz GYFWRRMZAVCURU-UHFFFAOYSA-N 0 0 335.451 3.493 10 10 EGCERN COc1cccc(CNC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c1O ZINC000528861752 313195204 /nfs/dbraw/zinc/19/52/04/313195204.db2.gz PHHWPQTZNVYJJI-IAOVAPTHSA-N 0 0 343.810 3.256 10 10 EGCERN COc1ccc(N2C(=O)/C(=C/N3CCCCC3)SC2=S)cc1 ZINC000005880064 452908261 /nfs/dbraw/zinc/90/82/61/452908261.db2.gz GWPFUJCNLMPTJS-KAMYIIQDSA-N 0 0 334.466 3.387 10 10 EGCERN COc1ccc(N2CCC(N(C)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000069455376 454107837 /nfs/dbraw/zinc/10/78/37/454107837.db2.gz QKSBZUOMNKOREW-UHFFFAOYSA-N 0 0 342.399 3.104 10 10 EGCERN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)c(OC)c1 ZINC000089930406 454238178 /nfs/dbraw/zinc/23/81/78/454238178.db2.gz WCQGVODDLCMPBO-KRWDZBQOSA-N 0 0 340.379 3.107 10 10 EGCERN COc1cccc(C=C2SC(NC3CCCC3)=NC2=O)c1OC ZINC000096121194 454288244 /nfs/dbraw/zinc/28/82/44/454288244.db2.gz RVCLAFZRIDFLSU-GXDHUFHOSA-N 0 0 332.425 3.206 10 10 EGCERN COc1cc(N(C)Cc2cn3ccsc3n2)cc(OC)c1OC ZINC000078876534 454331565 /nfs/dbraw/zinc/33/15/65/454331565.db2.gz LORHRJHNTKUPLR-UHFFFAOYSA-N 0 0 333.413 3.058 10 10 EGCERN COC(=O)c1cc2ccccc2c(CN(C)Cc2cscn2)c1O ZINC000063127468 454393564 /nfs/dbraw/zinc/39/35/64/454393564.db2.gz BQGIJHVFVVPUNA-UHFFFAOYSA-N 0 0 342.420 3.421 10 10 EGCERN Cc1ccc(O)c(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000092812228 454638224 /nfs/dbraw/zinc/63/82/24/454638224.db2.gz PSGSZRIKJIFBOR-INIZCTEOSA-N 0 0 326.444 3.356 10 10 EGCERN COc1cc(N(C)C[C@H](O)c2ccccc2F)cc(OC)c1OC ZINC000125775432 454845779 /nfs/dbraw/zinc/84/57/79/454845779.db2.gz HSAYTMUCKNMKCU-HNNXBMFYSA-N 0 0 335.375 3.021 10 10 EGCERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(N(C)CC)cc1 ZINC000167762518 454924150 /nfs/dbraw/zinc/92/41/50/454924150.db2.gz QLJCYAHLEKYYIR-PBHICJAKSA-N 0 0 327.476 3.482 10 10 EGCERN CN(C)c1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000127169514 454942851 /nfs/dbraw/zinc/94/28/51/454942851.db2.gz XSMWEMXAUOHILI-LJQANCHMSA-N 0 0 330.403 3.171 10 10 EGCERN Cc1nc([C@@H](NCc2ccc(N(C)C)cc2)c2ccccc2F)no1 ZINC000114774266 454977757 /nfs/dbraw/zinc/97/77/57/454977757.db2.gz KRAQOXCUKVWXIM-SFHVURJKSA-N 0 0 340.402 3.462 10 10 EGCERN CO[C@@H](C)c1noc(CN(C)Cc2c(O)ccc3ccccc32)n1 ZINC000267113305 455502830 /nfs/dbraw/zinc/50/28/30/455502830.db2.gz RTYQTQUFVGZGHG-LBPRGKRZSA-N 0 0 327.384 3.268 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c(C)n1-c1ccccn1 ZINC000246576181 455509797 /nfs/dbraw/zinc/50/97/97/455509797.db2.gz ASGBNUDQHIVHMQ-CGTJXYLNSA-N 0 0 339.439 3.177 10 10 EGCERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@]2(C)CCCO2)cc1 ZINC000267948557 455568950 /nfs/dbraw/zinc/56/89/50/455568950.db2.gz LLXYMQHAUFJBDP-FQEVSTJZSA-N 0 0 342.439 3.444 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCOC[C@H]3C)c2C)cc1 ZINC000278365193 455829322 /nfs/dbraw/zinc/82/93/22/455829322.db2.gz BPQFNUSUXCPASB-BFUOFWGJSA-N 0 0 342.439 3.258 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)C1CCCCC1 ZINC000278796834 455848995 /nfs/dbraw/zinc/84/89/95/455848995.db2.gz NFRRLAZVUDKMQQ-UHFFFAOYSA-N 0 0 345.487 3.340 10 10 EGCERN COc1ccccc1CC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000187064917 455867768 /nfs/dbraw/zinc/86/77/68/455867768.db2.gz HYCHATJZSTUBHQ-UHFFFAOYSA-N 0 0 341.407 3.201 10 10 EGCERN Cc1ccnc(C)c1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000287451485 456070033 /nfs/dbraw/zinc/07/00/33/456070033.db2.gz IDWYRYZCYFYZFP-UHFFFAOYSA-N 0 0 326.400 3.195 10 10 EGCERN Cc1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C)c(Cl)n1 ZINC000287738084 456078382 /nfs/dbraw/zinc/07/83/82/456078382.db2.gz PBPMHEWSCPZJBR-UHFFFAOYSA-N 0 0 343.858 3.285 10 10 EGCERN CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000289585056 456130980 /nfs/dbraw/zinc/13/09/80/456130980.db2.gz AQZYSTAJZBQGJN-ZIAGYGMSSA-N 0 0 332.448 3.474 10 10 EGCERN O=C1CCC(=O)N1c1cc(N[C@H]2CCc3cccc(O)c32)ccc1F ZINC000297277754 456169488 /nfs/dbraw/zinc/16/94/88/456169488.db2.gz LCAFPIMUEPWUAG-AWEZNQCLSA-N 0 0 340.354 3.284 10 10 EGCERN C[C@H]1COCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000277294844 456764827 /nfs/dbraw/zinc/76/48/27/456764827.db2.gz ANLNCWXHKLXJLU-QFBILLFUSA-N 0 0 345.487 3.243 10 10 EGCERN Cn1ccc([C@@H](NCc2ccc3c(c2)CCO3)c2ccc(F)cc2)n1 ZINC000374520146 457647257 /nfs/dbraw/zinc/64/72/57/457647257.db2.gz IHPSSYJTTQWXMB-FQEVSTJZSA-N 0 0 337.398 3.373 10 10 EGCERN CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1[O-] ZINC000367547752 457962946 /nfs/dbraw/zinc/96/29/46/457962946.db2.gz ACEHNXOPEAVWRP-SUMWQHHRSA-N 0 0 348.878 3.489 10 10 EGCERN COc1ccc(CNC(=O)N[C@H]2CCCc3nc(C)sc32)c(O)c1 ZINC000373399072 458482051 /nfs/dbraw/zinc/48/20/51/458482051.db2.gz JIWCXSMRWCJJSP-AWEZNQCLSA-N 0 0 347.440 3.043 10 10 EGCERN Cc1nc(CC2CC2)oc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000530399679 458761573 /nfs/dbraw/zinc/76/15/73/458761573.db2.gz CZXUJHSBBBBAJX-UHFFFAOYSA-N 0 0 341.411 3.041 10 10 EGCERN CC1(C)CN(C(=O)c2ccnc3c2CC(=O)N3)c2cccc(Cl)c21 ZINC000667580974 462158023 /nfs/dbraw/zinc/15/80/23/462158023.db2.gz LRXGEEWHAZIPBZ-UHFFFAOYSA-N 0 0 341.798 3.168 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)CCCN2 ZINC000649347728 462482590 /nfs/dbraw/zinc/48/25/90/462482590.db2.gz VDZAPSXSKIXMRP-UHFFFAOYSA-N 0 0 337.423 3.150 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)C1(C(F)(F)F)CC1 ZINC000726159383 574543629 /nfs/dbraw/zinc/54/36/29/574543629.db2.gz FRIYULKEGGWZCN-UHFFFAOYSA-N 0 0 344.402 3.199 10 10 EGCERN CCN(Cc1ccoc1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000726595471 574563111 /nfs/dbraw/zinc/56/31/11/574563111.db2.gz SVZFTFNZDHRLKV-FNORWQNLSA-N 0 0 330.340 3.401 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000729050507 574809045 /nfs/dbraw/zinc/80/90/45/574809045.db2.gz WGULICARKRHRGC-CZUORRHYSA-N 0 0 340.423 3.319 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000730569549 575002173 /nfs/dbraw/zinc/00/21/73/575002173.db2.gz YLDAVATYKCSFDL-ALCCZGGFSA-N 0 0 348.399 3.175 10 10 EGCERN CN(C)c1ccc(CNC(=O)NC/C=C/c2ccccc2)cc1F ZINC000733001178 575300621 /nfs/dbraw/zinc/30/06/21/575300621.db2.gz ULYLASXTKIMXHA-RMKNXTFCSA-N 0 0 327.403 3.404 10 10 EGCERN COCCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000733188939 575318673 /nfs/dbraw/zinc/31/86/73/575318673.db2.gz SJBUZIHLTOAYTF-NTMALXAHSA-N 0 0 348.399 3.176 10 10 EGCERN Cc1cc(C(=O)CN(C)Cc2cc[nH]n2)c(C)n1-c1ccc(C)cc1 ZINC000733895268 575411157 /nfs/dbraw/zinc/41/11/57/575411157.db2.gz SGQDZQFLJCIWIL-UHFFFAOYSA-N 0 0 336.439 3.440 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000735669468 575696913 /nfs/dbraw/zinc/69/69/13/575696913.db2.gz MUBBCNREBYSEOO-LWSHCTJVSA-N 0 0 336.413 3.111 10 10 EGCERN Cc1ccc(CC[C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000743675307 576814376 /nfs/dbraw/zinc/81/43/76/576814376.db2.gz YPACXMDUBYXGMB-CQSZACIVSA-N 0 0 329.444 3.475 10 10 EGCERN Cc1cc(C(=O)CN(C)CC[C@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000744406697 576827523 /nfs/dbraw/zinc/82/75/23/576827523.db2.gz NQLAIGVXGRIOMN-AWEZNQCLSA-N 0 0 332.419 3.119 10 10 EGCERN CC(C)(C)/C=C\C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000098018675 1292962603 /nfs/dbraw/zinc/96/26/03/1292962603.db2.gz DTMDNWCHMJCVDD-TWGQIWQCSA-N 0 0 334.435 3.005 10 10 EGCERN Cc1csc([C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000126583718 1293538324 /nfs/dbraw/zinc/53/83/24/1293538324.db2.gz ALMVVSMUALQVTK-AWEZNQCLSA-N 0 0 342.468 3.388 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(Cc2nccs2)CC1 ZINC000870265589 1295773699 /nfs/dbraw/zinc/77/36/99/1295773699.db2.gz MGRHPFKVCWASOQ-RQOWECAXSA-N 0 0 344.436 3.049 10 10 EGCERN CC1(C)CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000194177048 1295951086 /nfs/dbraw/zinc/95/10/86/1295951086.db2.gz HJVNAINEJNCNDJ-MRXNPFEDSA-N 0 0 348.462 3.495 10 10 EGCERN CO[C@H]1CC[C@H](C)N(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000870709924 1296034786 /nfs/dbraw/zinc/03/47/86/1296034786.db2.gz WZFPAUBQEXXIPM-BBRMVZONSA-N 0 0 327.428 3.129 10 10 EGCERN CN(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(Cl)cc1 ZINC000871206157 1296273224 /nfs/dbraw/zinc/27/32/24/1296273224.db2.gz UEOAIKUNDYLOSQ-KRWDZBQOSA-N 0 0 330.815 3.191 10 10 EGCERN Cc1cc(N(CCO)CCO)ccc1N=Nc1cc(F)ccc1F ZINC000254554866 1296473766 /nfs/dbraw/zinc/47/37/66/1296473766.db2.gz GXZTYQUEABMZSU-UHFFFAOYSA-N 0 0 335.354 3.480 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000874108054 1297790664 /nfs/dbraw/zinc/79/06/64/1297790664.db2.gz LGYOMIHNJPKOOZ-IAGOWNOFSA-N 0 0 326.444 3.016 10 10 EGCERN CCCN(Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000708098982 1298235065 /nfs/dbraw/zinc/23/50/65/1298235065.db2.gz NWNWKLLBZYWXIH-GFCCVEGCSA-N 0 0 347.684 3.382 10 10 EGCERN C[C@@H]1CC[C@@H]([NH3+])CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133129 1298236250 /nfs/dbraw/zinc/23/62/50/1298236250.db2.gz HQEBFYIJNUTQDS-LDYMZIIASA-N 0 0 333.657 3.120 10 10 EGCERN COC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715783895 1298286660 /nfs/dbraw/zinc/28/66/60/1298286660.db2.gz DTNQOYYDLNNVLJ-GFCCVEGCSA-N 0 0 332.213 3.295 10 10 EGCERN CC(=O)N1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC12CCCCC2 ZINC000876803293 1298995823 /nfs/dbraw/zinc/99/58/23/1298995823.db2.gz DGVLPCTUGISOBK-UHFFFAOYSA-N 0 0 338.398 3.037 10 10 EGCERN CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])c2ccccc21 ZINC000877119758 1299166742 /nfs/dbraw/zinc/16/67/42/1299166742.db2.gz BXDORVQMNRKTRW-OAHLLOKOSA-N 0 0 332.350 3.258 10 10 EGCERN C[C@@H](NC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc(N(C)C)cc1 ZINC000883582619 1302513026 /nfs/dbraw/zinc/51/30/26/1302513026.db2.gz YNINVUDEMFKAGR-BJZITVGISA-N 0 0 331.460 3.215 10 10 EGCERN C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3c([O-])ccc(Cl)c3F)O2)[C@H]1C ZINC000886338002 1303440429 /nfs/dbraw/zinc/44/04/29/1303440429.db2.gz FXJRDPQDVRXOFO-KVFJLYFUSA-N 0 0 343.826 3.247 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2[nH]cnc2c1F ZINC000895526745 1309384379 /nfs/dbraw/zinc/38/43/79/1309384379.db2.gz RCUBGRWNIWQFIT-UHFFFAOYSA-N 0 0 340.402 3.430 10 10 EGCERN O=C(N[C@H](C1CC1)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000897777983 1310465544 /nfs/dbraw/zinc/46/55/44/1310465544.db2.gz VPVZAFCJSGCUIW-GFCCVEGCSA-N 0 0 331.315 3.383 10 10 EGCERN COc1ccc(N2CCN(C(=O)C[C@H]3CCCC3(F)F)CC2)cc1 ZINC000929249653 1328548181 /nfs/dbraw/zinc/54/81/81/1328548181.db2.gz HIKOWNPGNSACAW-CQSZACIVSA-N 0 0 338.398 3.169 10 10 EGCERN CCC1(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)COC1 ZINC000929539227 1328629630 /nfs/dbraw/zinc/62/96/30/1328629630.db2.gz DEHGKNPVXWCPPM-UHFFFAOYSA-N 0 0 330.472 3.452 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1n[nH]c2c1COCC2 ZINC000899257893 1316979458 /nfs/dbraw/zinc/97/94/58/1316979458.db2.gz UXYBKCMDSPGHIX-UHFFFAOYSA-N 0 0 342.424 3.204 10 10 EGCERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cc2cc(O)c(O)cc2s1 ZINC000899464070 1317046884 /nfs/dbraw/zinc/04/68/84/1317046884.db2.gz MLPBMELSIFFRKC-LBPRGKRZSA-N 0 0 347.436 3.392 10 10 EGCERN CN(C)c1cc(F)c(CNc2cccc3c2CCN(C)C3=O)cc1F ZINC000858191865 1328708526 /nfs/dbraw/zinc/70/85/26/1328708526.db2.gz DETYTZWHGXBYGU-UHFFFAOYSA-N 0 0 345.393 3.271 10 10 EGCERN C[C@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000858201800 1328710110 /nfs/dbraw/zinc/71/01/10/1328710110.db2.gz WDGXNFJLNZYOJS-CYBMUJFWSA-N 0 0 344.377 3.070 10 10 EGCERN C[C@H]1CC(=O)N(C)c2ccc(NCc3cc4c(cc3O)OCO4)cc21 ZINC000858311429 1328734921 /nfs/dbraw/zinc/73/49/21/1328734921.db2.gz JLOIIQRILDATCP-NSHDSACASA-N 0 0 340.379 3.203 10 10 EGCERN C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)S2)c1ccc(N(C)C)cc1 ZINC000858369446 1328747063 /nfs/dbraw/zinc/74/70/63/1328747063.db2.gz VDGCVJMJFCXZSQ-XKQJLSEDSA-N 0 0 333.501 3.493 10 10 EGCERN COc1ccc(N2CCC(Nc3cnc(OC)c(OC)c3)CC2)cc1 ZINC000858480886 1328774925 /nfs/dbraw/zinc/77/49/25/1328774925.db2.gz CGGUJVFZYYVRAV-UHFFFAOYSA-N 0 0 343.427 3.188 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@@H]1CCCOC1 ZINC000858543258 1328792132 /nfs/dbraw/zinc/79/21/32/1328792132.db2.gz HJYIIJSAEBTQDD-IRXDYDNUSA-N 0 0 347.503 3.108 10 10 EGCERN COCCOc1ccc(F)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000930144503 1328798224 /nfs/dbraw/zinc/79/82/24/1328798224.db2.gz YOJYMBOPXZJVNE-UHFFFAOYSA-N 0 0 346.358 3.104 10 10 EGCERN C[C@@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1O ZINC000913763365 1319118777 /nfs/dbraw/zinc/11/87/77/1319118777.db2.gz DJPXSSJIGRYRAV-CYBMUJFWSA-N 0 0 339.391 3.072 10 10 EGCERN COC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000918642899 1319982048 /nfs/dbraw/zinc/98/20/48/1319982048.db2.gz FYLQMLDZIGBXCM-INIZCTEOSA-N 0 0 340.423 3.038 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@H](c3ccc(O)cc3)C2)cc1OC ZINC000858836641 1328872373 /nfs/dbraw/zinc/87/23/73/1328872373.db2.gz GLTFEDXDPQYCOW-ZDUSSCGKSA-N 0 0 344.367 3.312 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858913068 1328890148 /nfs/dbraw/zinc/89/01/48/1328890148.db2.gz SJWBICILQTUZKR-PKOBYXMFSA-N 0 0 345.487 3.242 10 10 EGCERN C[C@@H](NC(=O)N1CCC(O)(C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000922054336 1322445803 /nfs/dbraw/zinc/44/58/03/1322445803.db2.gz ISSOQRJSCWFLNH-OAHLLOKOSA-N 0 0 345.487 3.150 10 10 EGCERN COc1ccc(N2CC[C@H](NCc3nc(C(C)(C)C)co3)C2)cc1 ZINC000922237572 1322485041 /nfs/dbraw/zinc/48/50/41/1322485041.db2.gz KSIKNCWCYLJFAT-AWEZNQCLSA-N 0 0 329.444 3.349 10 10 EGCERN COc1cccc([C@H]2C[C@H](NC(=O)NCc3c(O)cccc3F)C2)c1 ZINC000922759093 1322612172 /nfs/dbraw/zinc/61/21/72/1322612172.db2.gz LIAWCTKCZHQWMU-HDJSIYSDSA-N 0 0 344.386 3.285 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)/C=C\Cl)C2)cc1 ZINC000923184139 1322706600 /nfs/dbraw/zinc/70/66/00/1322706600.db2.gz AIYXRDKRJRDBFI-ASCRHOAZSA-N 0 0 337.851 3.104 10 10 EGCERN CSC1CCC(CNC(=O)NCc2c(O)cccc2F)CC1 ZINC000924304906 1322970744 /nfs/dbraw/zinc/97/07/44/1322970744.db2.gz WZKVFJYVNXRGJV-UHFFFAOYSA-N 0 0 326.437 3.252 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1c2ccccc2OC[C@H]1F ZINC000925108815 1323285257 /nfs/dbraw/zinc/28/52/57/1323285257.db2.gz KTFUWDJLZBZEDO-RHSMWYFYSA-N 0 0 330.359 3.005 10 10 EGCERN COc1cccc(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1O ZINC000860240382 1329181726 /nfs/dbraw/zinc/18/17/26/1329181726.db2.gz HZHIOMXKPYZSCY-HYVNUMGLSA-N 0 0 343.810 3.256 10 10 EGCERN CC[C@H](CNC(=O)N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000925692757 1325263373 /nfs/dbraw/zinc/26/33/73/1325263373.db2.gz BAPPFUYYJHGRBG-CHWSQXEVSA-N 0 0 336.432 3.120 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCC(F)(F)CC1 ZINC000860697206 1329345540 /nfs/dbraw/zinc/34/55/40/1329345540.db2.gz PUOHUMPSMUOUSX-NSHDSACASA-N 0 0 327.371 3.361 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@@H]2CCOC2)c1 ZINC000860773454 1329354161 /nfs/dbraw/zinc/35/41/61/1329354161.db2.gz STCWCSRGEAVDFS-MRXNPFEDSA-N 0 0 340.423 3.063 10 10 EGCERN C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(F)cc(F)c1[O-] ZINC000926929403 1327781552 /nfs/dbraw/zinc/78/15/52/1327781552.db2.gz WSINYUWQDMHPFK-ZETCQYMHSA-N 0 0 335.276 3.274 10 10 EGCERN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000927015526 1327822000 /nfs/dbraw/zinc/82/20/00/1327822000.db2.gz RBIGHCQBXSJSBJ-WCQYABFASA-N 0 0 327.371 3.049 10 10 EGCERN CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000927131745 1327883330 /nfs/dbraw/zinc/88/33/30/1327883330.db2.gz QPNPDMKAARWPLW-YPMHNXCESA-N 0 0 344.242 3.207 10 10 EGCERN COc1cccc(CNC(=O)N[C@H]2CCSC3(CCC3)C2)c1O ZINC000927263010 1327939209 /nfs/dbraw/zinc/93/92/09/1327939209.db2.gz CGDJCLCCSYNEJS-ZDUSSCGKSA-N 0 0 336.457 3.018 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927277326 1327949037 /nfs/dbraw/zinc/94/90/37/1327949037.db2.gz BDWGFSSYPHKSOS-CTGSTSKSSA-N 0 0 345.292 3.004 10 10 EGCERN CC(C)Cn1cc(C(=O)NCc2c(O)cccc2F)c(C(F)F)n1 ZINC000928706860 1328404614 /nfs/dbraw/zinc/40/46/14/1328404614.db2.gz XTBBZNIBNSAZPT-UHFFFAOYSA-N 0 0 341.333 3.251 10 10 EGCERN O=C(NCc1c(O)cccc1F)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000928710954 1328406126 /nfs/dbraw/zinc/40/61/26/1328406126.db2.gz YLAAGZIPUQKKEA-OAUYIBNBSA-N 0 0 331.774 3.387 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)cccc2F)c2cnn(C(C)C)c2n1 ZINC000928710273 1328406379 /nfs/dbraw/zinc/40/63/79/1328406379.db2.gz SFXPFGHOBAMQFK-UHFFFAOYSA-N 0 0 342.374 3.095 10 10 EGCERN CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000862487243 1329490900 /nfs/dbraw/zinc/49/09/00/1329490900.db2.gz MURNEGNWWYJQTM-LBPRGKRZSA-N 0 0 330.211 3.441 10 10 EGCERN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)NCc3ccccc3O)cc21 ZINC000861638357 1329433599 /nfs/dbraw/zinc/43/35/99/1329433599.db2.gz INMWDAKLPNNAGL-GFCCVEGCSA-N 0 0 339.395 3.184 10 10 EGCERN C[C@H](CC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000861687356 1329436273 /nfs/dbraw/zinc/43/62/73/1329436273.db2.gz MTGWNNWKNGJCOI-SSDOTTSWSA-N 0 0 340.139 3.359 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2COCC2(C)C)c1 ZINC000861919068 1329450396 /nfs/dbraw/zinc/45/03/96/1329450396.db2.gz CEQCQYOUSAUSDQ-GOSISDBHSA-N 0 0 340.423 3.061 10 10 EGCERN CC[C@@H]1C[C@H](CC(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027119 1329455648 /nfs/dbraw/zinc/45/56/48/1329455648.db2.gz JRUBDRFLMLZNFG-CZUORRHYSA-N 0 0 328.412 3.152 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000862027376 1329456029 /nfs/dbraw/zinc/45/60/29/1329456029.db2.gz PXMVFLHLUXFEEJ-PGRDOPGGSA-N 0 0 344.414 3.461 10 10 EGCERN COCCC1(C(=O)NCc2ccc3cccnc3c2O)CCCC1 ZINC000862027383 1329456140 /nfs/dbraw/zinc/45/61/40/1329456140.db2.gz QCFYQHUWYMCFSV-UHFFFAOYSA-N 0 0 328.412 3.154 10 10 EGCERN CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027535 1329456142 /nfs/dbraw/zinc/45/61/42/1329456142.db2.gz WCYMEOSWCZVALY-PBHICJAKSA-N 0 0 342.439 3.398 10 10 EGCERN CC(=O)[C@H](C)CCCCC(=O)NCc1ccc2cccnc2c1O ZINC000862027526 1329456149 /nfs/dbraw/zinc/45/61/49/1329456149.db2.gz VZZUYVPSVCIPPX-CYBMUJFWSA-N 0 0 328.412 3.342 10 10 EGCERN C[C@@](CO)([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccc(O)c1 ZINC000862432807 1329486133 /nfs/dbraw/zinc/48/61/33/1329486133.db2.gz OBYFJRUKEYMXFF-INIZCTEOSA-N 0 0 342.222 3.402 10 10 EGCERN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000864573045 1329627232 /nfs/dbraw/zinc/62/72/32/1329627232.db2.gz DGZOTFRBGOCZHN-AWEZNQCLSA-N 0 0 342.414 3.417 10 10 EGCERN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@H](C)O1 ZINC000864636999 1329633121 /nfs/dbraw/zinc/63/31/21/1329633121.db2.gz DWUSXHPAHMVASF-GJYPPUQNSA-N 0 0 330.472 3.449 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000866478630 1330117139 /nfs/dbraw/zinc/11/71/39/1330117139.db2.gz JNMXPRLEWQFOAT-ZDUSSCGKSA-N 0 0 341.407 3.102 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000866512914 1330120278 /nfs/dbraw/zinc/12/02/78/1330120278.db2.gz PYERVUVCRVELJH-PNPHSEOMSA-N 0 0 333.428 3.035 10 10 EGCERN O=C(OCCC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866828382 1330150408 /nfs/dbraw/zinc/15/04/08/1330150408.db2.gz KEBDGOHZRGAGAR-CYBMUJFWSA-N 0 0 347.333 3.462 10 10 EGCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccncc1 ZINC000866899852 1330155780 /nfs/dbraw/zinc/15/57/80/1330155780.db2.gz OCYWXIFWTBCWPW-YJBOKZPZSA-N 0 0 340.423 3.099 10 10 EGCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccncc1 ZINC000866899849 1330155959 /nfs/dbraw/zinc/15/59/59/1330155959.db2.gz OCYWXIFWTBCWPW-MAUKXSAKSA-N 0 0 340.423 3.099 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000868112018 1330250827 /nfs/dbraw/zinc/25/08/27/1330250827.db2.gz IZPJZFMPVZKHLM-RBUKOAKNSA-N 0 0 345.487 3.147 10 10 EGCERN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCC34CC4)CC2)cc1 ZINC000868845302 1330359167 /nfs/dbraw/zinc/35/91/67/1330359167.db2.gz SJKBHBVAPGLPBJ-GOSISDBHSA-N 0 0 343.471 3.296 10 10 EGCERN COCc1sccc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000869142548 1330423563 /nfs/dbraw/zinc/42/35/63/1330423563.db2.gz FNAYLBHOUIJBOD-UHFFFAOYSA-N 0 0 348.468 3.112 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1c(Cl)n[nH]c1C1CC1 ZINC000869147822 1330425062 /nfs/dbraw/zinc/42/50/62/1330425062.db2.gz YIQXYEUECYUSPX-UHFFFAOYSA-N 0 0 326.183 3.230 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)c3cscc3Cl)C2)cc1 ZINC000869229211 1330442577 /nfs/dbraw/zinc/44/25/77/1330442577.db2.gz TYBHBFOTZJJXES-NSHDSACASA-N 0 0 336.844 3.419 10 10 EGCERN CC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H](O)C(F)F ZINC001324779114 1387769771 /nfs/dbraw/zinc/76/97/71/1387769771.db2.gz WBLSEDQLWWBTAO-CVEARBPZSA-N 0 0 336.382 3.229 10 10 EGCERN CN(C)c1ccc(CN2CCN(c3cc(F)ccc3F)CC2)cc1 ZINC001191486497 1367511675 /nfs/dbraw/zinc/51/16/75/1367511675.db2.gz QWRIXXFMXVBUGB-UHFFFAOYSA-N 0 0 331.410 3.353 10 10 EGCERN CN(C[C@@H]1CN(C2CCCCC2)C(=O)O1)c1ccc2c(c1)OCO2 ZINC001192282403 1367738126 /nfs/dbraw/zinc/73/81/26/1367738126.db2.gz IZSKRDABQWONOR-OAHLLOKOSA-N 0 0 332.400 3.005 10 10 EGCERN CCOC(=O)COCCN(C)c1ccc(OCc2ccccc2)cc1 ZINC001193473543 1368039525 /nfs/dbraw/zinc/03/95/25/1368039525.db2.gz OSARQGGOZPBTQE-UHFFFAOYSA-N 0 0 343.423 3.282 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OC[C@H]2COCCO2)c1 ZINC001117851590 1371102203 /nfs/dbraw/zinc/10/22/03/1371102203.db2.gz MDBSTQUUTKNYEH-OAHLLOKOSA-N 0 0 349.814 3.320 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ocnc1C1CC1 ZINC001124549437 1372711143 /nfs/dbraw/zinc/71/11/43/1372711143.db2.gz IMVXINZPWKOVSN-UHFFFAOYSA-N 0 0 325.412 3.424 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccc3cccnc3n2)cc1 ZINC001125166090 1372757795 /nfs/dbraw/zinc/75/77/95/1372757795.db2.gz CCBBMJMJWACWJR-UHFFFAOYSA-N 0 0 334.423 3.406 10 10 EGCERN Cc1cc(CC(=O)Nc2ccnc3ccnn32)c(C)n1-c1ccccc1 ZINC001125413423 1372783781 /nfs/dbraw/zinc/78/37/81/1372783781.db2.gz RUTPFHRKIPKLAD-UHFFFAOYSA-N 0 0 345.406 3.318 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cccc2cnccc21 ZINC001126439980 1372965721 /nfs/dbraw/zinc/96/57/21/1372965721.db2.gz FWMCMFBTOGMCBO-UHFFFAOYSA-N 0 0 347.418 3.269 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)C(F)(F)c2ccccc2)cc1 ZINC001130745234 1373587304 /nfs/dbraw/zinc/58/73/04/1373587304.db2.gz QVZCQVVKWLZZGG-UHFFFAOYSA-N 0 0 348.393 3.382 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1ncccc1F ZINC001227769068 1375473367 /nfs/dbraw/zinc/47/33/67/1375473367.db2.gz WXRVFMQRVZSLSW-UHFFFAOYSA-N 0 0 342.418 3.163 10 10 EGCERN CCO[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001229979365 1375924831 /nfs/dbraw/zinc/92/48/31/1375924831.db2.gz JKFXUOYYZWHSGU-KFKAGJAMSA-N 0 0 347.503 3.249 10 10 EGCERN COCC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCCC1 ZINC001230114454 1375946204 /nfs/dbraw/zinc/94/62/04/1375946204.db2.gz TUHWWMMRSZAHNA-UHFFFAOYSA-N 0 0 346.471 3.277 10 10 EGCERN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1-n1ccnc1 ZINC001136624936 1377410614 /nfs/dbraw/zinc/41/06/14/1377410614.db2.gz QJFGPEITDYYCOR-XVNBXDOJSA-N 0 0 335.363 3.244 10 10 EGCERN CCCCC[C@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001136705665 1377416334 /nfs/dbraw/zinc/41/63/34/1377416334.db2.gz WSNNHKMMCNMCDR-IBGZPJMESA-N 0 0 332.488 3.480 10 10 EGCERN Cc1cc(CC(=O)NCC2(O)CCCCC2)c(C)n1-c1ccccc1 ZINC001136880668 1377434265 /nfs/dbraw/zinc/43/42/65/1377434265.db2.gz YLJPMGXGCJPWOY-UHFFFAOYSA-N 0 0 340.467 3.448 10 10 EGCERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001137070311 1377472682 /nfs/dbraw/zinc/47/26/82/1377472682.db2.gz AMQMKXPEDFDCJL-MLGOLLRUSA-N 0 0 329.371 3.389 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001138152977 1377685309 /nfs/dbraw/zinc/68/53/09/1377685309.db2.gz UZVOHXIUZTZXSC-LBPRGKRZSA-N 0 0 346.427 3.063 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1snc(Cl)c1Cl ZINC001138152978 1377685424 /nfs/dbraw/zinc/68/54/24/1377685424.db2.gz VAGMQXUBRTUTLW-LURJTMIESA-N 0 0 347.223 3.222 10 10 EGCERN Cc1cc(C(=O)N2CC(O)(C(C)C)C2)c(C)n1-c1ccccc1C ZINC001138208386 1377689883 /nfs/dbraw/zinc/68/98/83/1377689883.db2.gz QPWUYPIONWMKRQ-UHFFFAOYSA-N 0 0 326.440 3.245 10 10 EGCERN CCC[C@H](CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)OC ZINC001141372394 1378313306 /nfs/dbraw/zinc/31/33/06/1378313306.db2.gz JROJOPDSCYHZBX-LJQANCHMSA-N 0 0 342.439 3.452 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)c3cnc4c[nH]nc4c3)cc2)CC1 ZINC001144774401 1378770757 /nfs/dbraw/zinc/77/07/57/1378770757.db2.gz SPQKJVWCDJMXAY-UHFFFAOYSA-N 0 0 349.438 3.124 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1F ZINC001144979085 1378786224 /nfs/dbraw/zinc/78/62/24/1378786224.db2.gz YUSLEGBVHMRWIW-NUXNZHGMSA-N 0 0 336.451 3.348 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)CCCC(=O)N2 ZINC001146232380 1378800127 /nfs/dbraw/zinc/80/01/27/1378800127.db2.gz KIRXZCLCGYYALF-UHFFFAOYSA-N 0 0 344.798 3.250 10 10 EGCERN COc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)no2)c1O ZINC001150542465 1379565004 /nfs/dbraw/zinc/56/50/04/1379565004.db2.gz AHGOPBLWNRSGGA-UHFFFAOYSA-N 0 0 342.326 3.125 10 10 EGCERN O=C(NCc1cccc(O)c1O)c1c(Cl)cc(F)cc1Cl ZINC001153797829 1380131216 /nfs/dbraw/zinc/13/12/16/1380131216.db2.gz FGZWWUJTRCDBKU-UHFFFAOYSA-N 0 0 330.142 3.474 10 10 EGCERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(Cl)cn1 ZINC001154431187 1380275372 /nfs/dbraw/zinc/27/53/72/1380275372.db2.gz PNQOLPUHAHBMFE-SECBINFHSA-N 0 0 331.763 3.388 10 10 EGCERN C[C@H](COCC1CCCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001156148467 1380531184 /nfs/dbraw/zinc/53/11/84/1380531184.db2.gz SNFNSTMRPOQFDQ-QSYFUGGGSA-N 0 0 333.428 3.213 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC001156213354 1380542890 /nfs/dbraw/zinc/54/28/90/1380542890.db2.gz JVQFQGWJKALGRO-ZWNOBZJWSA-N 0 0 335.762 3.105 10 10 EGCERN CC(C)C[C@H]1CN(C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001156677051 1380608715 /nfs/dbraw/zinc/60/87/15/1380608715.db2.gz YAQTZAOYGZEMRN-ZDUSSCGKSA-N 0 0 348.468 3.115 10 10 EGCERN Cc1ccc(C(=O)NCc2c(O)cccc2O)cc1C(F)(F)F ZINC001156885280 1380717250 /nfs/dbraw/zinc/71/72/50/1380717250.db2.gz BXKHWOSCQRKJFD-UHFFFAOYSA-N 0 0 325.286 3.355 10 10 EGCERN C[C@@H]1CCc2nc(C(=O)NCc3c(O)ccc4ccccc43)cn2C1 ZINC001157051378 1380762359 /nfs/dbraw/zinc/76/23/59/1380762359.db2.gz UWLGQHPGXLOTJL-CYBMUJFWSA-N 0 0 335.407 3.254 10 10 EGCERN Cc1cc(CNC(=O)c2ccnc(N(C)C)c2)c(C)n1-c1ccccc1 ZINC001287662065 1381320555 /nfs/dbraw/zinc/32/05/55/1381320555.db2.gz WBSCGSIFPAPSNI-UHFFFAOYSA-N 0 0 348.450 3.485 10 10 EGCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(O)c(F)c1 ZINC001160562872 1382142629 /nfs/dbraw/zinc/14/26/29/1382142629.db2.gz IAELNABQFZFITJ-UHFFFAOYSA-N 0 0 348.337 3.493 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)c3cnc4n[nH]cc4c3)cc2)CC1 ZINC001293144504 1382262156 /nfs/dbraw/zinc/26/21/56/1382262156.db2.gz HODJOOHKEYGWQD-UHFFFAOYSA-N 0 0 349.438 3.124 10 10 EGCERN C[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1nc2ccccc2s1 ZINC001160999029 1382267689 /nfs/dbraw/zinc/26/76/89/1382267689.db2.gz ZYIMNZKYFUNJHW-SECBINFHSA-N 0 0 346.383 3.380 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]c2cc(=O)ccc-2c1 ZINC001293955681 1382399403 /nfs/dbraw/zinc/39/94/03/1382399403.db2.gz KEXLYIBGXPMNHZ-UHFFFAOYSA-N 0 0 349.390 3.046 10 10 EGCERN C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001294542960 1382470014 /nfs/dbraw/zinc/47/00/14/1382470014.db2.gz RTLLZZDMSPTFJB-ZANVPECISA-N 0 0 347.392 3.148 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001294681253 1382482812 /nfs/dbraw/zinc/48/28/12/1382482812.db2.gz AJDNYDFEZHHBLH-UHFFFAOYSA-N 0 0 332.331 3.492 10 10 EGCERN CCOc1cc(N(C)Cc2ccc(N3CCCC3)cc2)nc(C)n1 ZINC001162062895 1382616349 /nfs/dbraw/zinc/61/63/49/1382616349.db2.gz SWZDHQQPAVKSKC-UHFFFAOYSA-N 0 0 326.444 3.420 10 10 EGCERN O=C(c1ccc(F)c(O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001295406331 1382630636 /nfs/dbraw/zinc/63/06/36/1382630636.db2.gz RLFVGXBCKRRDDR-OAHLLOKOSA-N 0 0 345.370 3.058 10 10 EGCERN O=C(COc1cc(Cl)cc(Cl)c1)NCc1ccc(O)cc1O ZINC001162278802 1382718975 /nfs/dbraw/zinc/71/89/75/1382718975.db2.gz MXHLMTMJYDOEGE-UHFFFAOYSA-N 0 0 342.178 3.100 10 10 EGCERN CCCCN(CCOC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001162423499 1382755091 /nfs/dbraw/zinc/75/50/91/1382755091.db2.gz ACXBBVWFRLZWAQ-CLFYSBASSA-N 0 0 336.388 3.034 10 10 EGCERN CCCCn1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c(C)n1 ZINC001295677192 1382773035 /nfs/dbraw/zinc/77/30/35/1382773035.db2.gz RMUKTGGKUGKLFV-UHFFFAOYSA-N 0 0 342.403 3.084 10 10 EGCERN Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cnn1-c1cccc(C)c1 ZINC001162838812 1382891238 /nfs/dbraw/zinc/89/12/38/1382891238.db2.gz GDIHCIBBKDYHJN-UHFFFAOYSA-N 0 0 337.379 3.082 10 10 EGCERN COc1cc(F)c(C(=O)NCc2cc(Cl)ccc2O)c(F)c1 ZINC001165508903 1383305531 /nfs/dbraw/zinc/30/55/31/1383305531.db2.gz YLZCDBBJXUPKLD-UHFFFAOYSA-N 0 0 327.714 3.262 10 10 EGCERN O=C(CCOc1cccc(F)c1)NCc1ccc2cccnc2c1O ZINC001299721338 1383622737 /nfs/dbraw/zinc/62/27/37/1383622737.db2.gz HIZIVLXRNGRLJW-UHFFFAOYSA-N 0 0 340.354 3.165 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)NCC1(c2ccccc2F)CCC1 ZINC001300250740 1383655075 /nfs/dbraw/zinc/65/50/75/1383655075.db2.gz OLNZHLBSANBUEY-UHFFFAOYSA-N 0 0 329.371 3.018 10 10 EGCERN Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c(C(F)(F)F)c1 ZINC001300395918 1383662266 /nfs/dbraw/zinc/66/22/66/1383662266.db2.gz HIIKYLJHBLDEFT-UHFFFAOYSA-N 0 0 332.709 3.333 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC001301077458 1383694160 /nfs/dbraw/zinc/69/41/60/1383694160.db2.gz HCJZKBGNYKDWFU-UHFFFAOYSA-N 0 0 343.770 3.323 10 10 EGCERN O=C(Cc1ccc(Cl)c(Cl)c1)NCc1c(O)cccc1O ZINC001304050811 1383825015 /nfs/dbraw/zinc/82/50/15/1383825015.db2.gz QWKJORNYYZGTRP-UHFFFAOYSA-N 0 0 326.179 3.264 10 10 EGCERN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1c(O)cccc1O ZINC001304050555 1383825393 /nfs/dbraw/zinc/82/53/93/1383825393.db2.gz NQOPYXRCAXEYRS-NSHDSACASA-N 0 0 335.787 3.143 10 10 EGCERN CC[C@H](C)c1ccccc1OCC(=O)NCc1c(O)cccc1O ZINC001304050243 1383825434 /nfs/dbraw/zinc/82/54/34/1383825434.db2.gz KRKZHWMIMQORFO-ZDUSSCGKSA-N 0 0 329.396 3.307 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)c1ccc(Cn2cccn2)o1 ZINC001304089741 1383828695 /nfs/dbraw/zinc/82/86/95/1383828695.db2.gz JTLXMOJIULNOCT-UHFFFAOYSA-N 0 0 347.374 3.313 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)c1cc(Cl)c2ccccc2n1 ZINC001306709935 1383902033 /nfs/dbraw/zinc/90/20/33/1383902033.db2.gz GFKFNEKGUWKAAR-UHFFFAOYSA-N 0 0 342.782 3.272 10 10 EGCERN CCc1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(O)c1O)CCO2 ZINC001306823998 1383907363 /nfs/dbraw/zinc/90/73/63/1383907363.db2.gz GFYWLEDMQFSBMH-ZDUSSCGKSA-N 0 0 331.343 3.053 10 10 EGCERN C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C1CC1 ZINC001306964729 1383927082 /nfs/dbraw/zinc/92/70/82/1383927082.db2.gz OEWQDSHSKKZKSR-LJQANCHMSA-N 0 0 340.379 3.399 10 10 EGCERN CCN(C)C(=O)CN(CCc1ccccc1)c1ccc(OC)cc1 ZINC001307556290 1384002275 /nfs/dbraw/zinc/00/22/75/1384002275.db2.gz WWKHOTBOFWZMBG-UHFFFAOYSA-N 0 0 326.440 3.223 10 10 EGCERN COc1ccc(N2CCN(CCOCC3CCCC3)CC2)c(OC)c1 ZINC001308015743 1384075766 /nfs/dbraw/zinc/07/57/66/1384075766.db2.gz IDCUYTFYKCWQFH-UHFFFAOYSA-N 0 0 348.487 3.033 10 10 EGCERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001312347842 1384341647 /nfs/dbraw/zinc/34/16/47/1384341647.db2.gz HUGMQWTWWJXYGC-LSDHHAIUSA-N 0 0 340.851 3.439 10 10 EGCERN CCC[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001312994743 1384384804 /nfs/dbraw/zinc/38/48/04/1384384804.db2.gz MCZOBZCICLQVLU-WBVHZDCISA-N 0 0 331.460 3.248 10 10 EGCERN CON(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001316311618 1384458293 /nfs/dbraw/zinc/45/82/93/1384458293.db2.gz OLSLYFPFVWYVEC-UHFFFAOYSA-N 0 0 345.491 3.287 10 10 EGCERN C[C@H](NC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccccc1O ZINC001171730969 1384617329 /nfs/dbraw/zinc/61/73/29/1384617329.db2.gz UVYNSAIUKDYXJB-LBPRGKRZSA-N 0 0 339.420 3.358 10 10 EGCERN COc1ccc(N(C)CC(=O)NC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC001171746443 1384624082 /nfs/dbraw/zinc/62/40/82/1384624082.db2.gz ZIMMDXQCJSNXQN-UHFFFAOYSA-N 0 0 341.411 3.097 10 10 EGCERN COC(=O)Nc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC001175037887 1385184533 /nfs/dbraw/zinc/18/45/33/1385184533.db2.gz MNSYJQSKSSUFAM-UHFFFAOYSA-N 0 0 326.352 3.035 10 10 EGCERN O=C(c1ccc(Cl)nn1)N(Cc1ccco1)Cc1ccccc1O ZINC001182776795 1387223421 /nfs/dbraw/zinc/22/34/21/1387223421.db2.gz AIQRPRZFDNWSKT-UHFFFAOYSA-N 0 0 343.770 3.271 10 10 EGCERN COc1ccc(C[C@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC001337483105 1389365928 /nfs/dbraw/zinc/36/59/28/1389365928.db2.gz PSBSUMTVJWEJOW-ZDUSSCGKSA-N 0 0 329.396 3.118 10 10 EGCERN COc1cc(C)cc(CN2CCOC[C@H]2c2cccc(F)c2)c1O ZINC001330663633 1389489018 /nfs/dbraw/zinc/48/90/18/1389489018.db2.gz ABLSLWOAJBEAJG-KRWDZBQOSA-N 0 0 331.387 3.422 10 10 EGCERN Cc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001332022407 1389949317 /nfs/dbraw/zinc/94/93/17/1389949317.db2.gz WZAJCXKORYKVMT-AWEZNQCLSA-N 0 0 332.350 3.262 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@H](O)C3(CC3)C2)c1 ZINC001343090921 1390690790 /nfs/dbraw/zinc/69/07/90/1390690790.db2.gz XFJIMQRRPZSJCO-KRWDZBQOSA-N 0 0 344.842 3.344 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2c(C)cccc2F)cc1 ZINC001346140249 1390910610 /nfs/dbraw/zinc/91/06/10/1390910610.db2.gz XTOBCCBXZWFMSD-UHFFFAOYSA-N 0 0 330.403 3.351 10 10 EGCERN Cc1cccc(OCCCCC(=O)NCc2cccc(O)c2O)c1 ZINC001349079212 1391300922 /nfs/dbraw/zinc/30/09/22/1391300922.db2.gz MDOLAXSZAXLCIV-UHFFFAOYSA-N 0 0 329.396 3.272 10 10 EGCERN Cc1ccsc1[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC001351314107 1391625401 /nfs/dbraw/zinc/62/54/01/1391625401.db2.gz GDFHZVRCOVHIOZ-CQSZACIVSA-N 0 0 326.412 3.224 10 10 EGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001351386446 1391635219 /nfs/dbraw/zinc/63/52/19/1391635219.db2.gz ALGHZEGLQSCELH-BJWYYQGGSA-N 0 0 346.446 3.105 10 10 EGCERN CC[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001352616071 1391823749 /nfs/dbraw/zinc/82/37/49/1391823749.db2.gz WSLNAESQWQNLGY-HKUYNNGSSA-N 0 0 330.472 3.450 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001353244971 1391972688 /nfs/dbraw/zinc/97/26/88/1391972688.db2.gz FYKLPDYAMKVMOH-SFHVURJKSA-N 0 0 330.472 3.417 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CCOc2ccccc21 ZINC001353246968 1391973108 /nfs/dbraw/zinc/97/31/08/1391973108.db2.gz WXADNSTTZRZNOX-OAQYLSRUSA-N 0 0 338.451 3.418 10 10 EGCERN O=C(N[C@H]1CCOCC12CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC001353379209 1391999278 /nfs/dbraw/zinc/99/92/78/1391999278.db2.gz AORKBHBDIJKTCX-INIZCTEOSA-N 0 0 347.436 3.392 10 10 EGCERN CO[C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354113220 1392120997 /nfs/dbraw/zinc/12/09/97/1392120997.db2.gz ABPMTZSUOFNFCQ-SJLPKXTDSA-N 0 0 349.386 3.216 10 10 EGCERN CCOCCn1c([C@H](C)CC)nnc1N(C)Cc1ccccc1O ZINC001503201117 1396247420 /nfs/dbraw/zinc/24/74/20/1396247420.db2.gz QKLFIVMSLOQUQP-CQSZACIVSA-N 0 0 332.448 3.170 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1Cc1ccoc1 ZINC001503488068 1396256486 /nfs/dbraw/zinc/25/64/86/1396256486.db2.gz BPTPCBDEDHRSRU-UHFFFAOYSA-N 0 0 338.411 3.214 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@H]1CCCS1 ZINC001503487363 1396256542 /nfs/dbraw/zinc/25/65/42/1396256542.db2.gz LIEUWBLGKXTDGF-OAHLLOKOSA-N 0 0 344.484 3.393 10 10 EGCERN Cc1nnc(N2CC[C@@H]3CCC[C@@H]32)n1Cc1ccc(N(C)C)c(F)c1 ZINC001707894000 1417388493 /nfs/dbraw/zinc/38/84/93/1417388493.db2.gz PXKUBOURXSZCBR-RDJZCZTQSA-N 0 0 343.450 3.219 10 10 EGCERN CCCN(C)c1nnc(CC)n1Cc1ccc2c(c1)CCCN2C ZINC001709689891 1417447203 /nfs/dbraw/zinc/44/72/03/1417447203.db2.gz AMNFSJHDQRKCNG-UHFFFAOYSA-N 0 0 327.476 3.117 10 10 EGCERN CCN(CC)c1ccc(Cn2c(CC3CC3)nnc2N(C)OC)cc1 ZINC001710027890 1417460365 /nfs/dbraw/zinc/46/03/65/1417460365.db2.gz NKPZBDXAMPNTHE-UHFFFAOYSA-N 0 0 343.475 3.123 10 10 EGCERN CCN(c1nnc(C)n1CCCSc1nccs1)C(C)C ZINC001728290083 1427144529 /nfs/dbraw/zinc/14/45/29/1427144529.db2.gz OLYONAIXNDQIHA-UHFFFAOYSA-N 0 0 325.507 3.460 10 10 EGCERN CC[C@H](C)c1nnc(N(C)OC)n1Cc1ccc2c(c1)CCCN2C ZINC001752636253 1440197381 /nfs/dbraw/zinc/19/73/81/1440197381.db2.gz QRPASBRBMGEZMU-AWEZNQCLSA-N 0 0 343.475 3.220 10 10 EGCERN Cc1nnc(N2CC[C@@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001761698473 1441373187 /nfs/dbraw/zinc/37/31/87/1441373187.db2.gz WLDAHRFXLBTEJX-GDBMZVCRSA-N 0 0 341.503 3.492 10 10 EGCERN C[C@@H]1C[C@@H]1n1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC001762775857 1441378445 /nfs/dbraw/zinc/37/84/45/1441378445.db2.gz JAZWPVOTXJNUJD-IVMMDQJWSA-N 0 0 328.416 3.053 10 10 EGCERN CCc1nnc(N2CC[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001762959271 1441380627 /nfs/dbraw/zinc/38/06/27/1441380627.db2.gz HYINEOFNGKCAIF-AWEZNQCLSA-N 0 0 327.476 3.109 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000054131023 214218376 /nfs/dbraw/zinc/21/83/76/214218376.db2.gz IVCPVKQWDUIRBV-UHFFFAOYSA-N 0 0 347.484 3.142 10 10 EGCERN COc1ccc(N2CCOCC2)c(NC(=O)/C=C\c2ccccc2)c1 ZINC000098021243 219070545 /nfs/dbraw/zinc/07/05/45/219070545.db2.gz KFBASLAOAXIXDZ-YFHOEESVSA-N 0 0 338.407 3.184 10 10 EGCERN Cc1noc(-c2cccc(F)c2)c1C(=O)NCCc1ccc(N)cc1 ZINC000022651244 212314578 /nfs/dbraw/zinc/31/45/78/212314578.db2.gz WLVZQKMPFFFMMD-UHFFFAOYSA-N 0 0 339.370 3.344 10 10 EGCERN CC1=CC2=NC(=O)/C(=C\c3ccc(OCC(C)C)cc3)C(=N)N2O1 ZINC000020237000 212113868 /nfs/dbraw/zinc/11/38/68/212113868.db2.gz JLRNGRGVHMVJJZ-ZMMCEODWSA-N 0 0 325.368 3.172 10 10 EGCERN COc1cccc(CNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c1O ZINC000528863419 313195809 /nfs/dbraw/zinc/19/58/09/313195809.db2.gz WHAFYVSRQJTXNM-HZPDHXFCSA-N 0 0 329.371 3.350 10 10 EGCERN CSCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173022327 455221039 /nfs/dbraw/zinc/22/10/39/455221039.db2.gz WHDHZVYGMUWLMA-LBPRGKRZSA-N 0 0 344.427 3.126 10 10 EGCERN CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(F)cc2)SC1=S ZINC000005807202 452903698 /nfs/dbraw/zinc/90/36/98/452903698.db2.gz JFOGJEHTNMMNJT-KPKJPENVSA-N 0 0 333.413 3.437 10 10 EGCERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cccnc1 ZINC000174071324 455356142 /nfs/dbraw/zinc/35/61/42/455356142.db2.gz FVQWGUKANPMALH-MAUKXSAKSA-N 0 0 340.423 3.099 10 10 EGCERN CSc1ncccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028330829 453823107 /nfs/dbraw/zinc/82/31/07/453823107.db2.gz OWLDCOBDMOAORE-UHFFFAOYSA-N 0 0 327.453 3.334 10 10 EGCERN Nc1ccc(CC(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)cc1 ZINC000071700831 454210085 /nfs/dbraw/zinc/21/00/85/454210085.db2.gz DHOFWOZKILFZHO-FQEVSTJZSA-N 0 0 335.382 3.251 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c(C)n1-c1ccccc1C ZINC000095459357 454215863 /nfs/dbraw/zinc/21/58/63/454215863.db2.gz JXTRXGAGWWLPOO-LIRRHRJNSA-N 0 0 326.440 3.245 10 10 EGCERN COc1ccc(N2CCN(C(=O)CCCc3cccs3)CC2)cc1 ZINC000072206083 454273576 /nfs/dbraw/zinc/27/35/76/454273576.db2.gz GATPCKSKCLUAMG-UHFFFAOYSA-N 0 0 344.480 3.428 10 10 EGCERN CCc1cnccc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000136553840 454746807 /nfs/dbraw/zinc/74/68/07/454746807.db2.gz HFSGSQZRTBWKPN-UHFFFAOYSA-N 0 0 339.439 3.005 10 10 EGCERN COc1cc(N(C)Cc2csc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000125749488 454844071 /nfs/dbraw/zinc/84/40/71/454844071.db2.gz NVLNQSBMNZOTHB-UHFFFAOYSA-N 0 0 338.385 3.319 10 10 EGCERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000167762400 454923611 /nfs/dbraw/zinc/92/36/11/454923611.db2.gz QLJCYAHLEKYYIR-WMLDXEAASA-N 0 0 327.476 3.482 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000191536024 455494889 /nfs/dbraw/zinc/49/48/89/455494889.db2.gz ONVWGECJGIPZOO-RYUDHWBXSA-N 0 0 341.835 3.454 10 10 EGCERN O=C(C[C@@H]1CCCc2ccccc21)NCCc1ccc(O)c(O)c1 ZINC000178425068 454954551 /nfs/dbraw/zinc/95/45/51/454954551.db2.gz NWROUQXWZRJCOQ-INIZCTEOSA-N 0 0 325.408 3.267 10 10 EGCERN Oc1ccc(F)cc1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000180041830 455121045 /nfs/dbraw/zinc/12/10/45/455121045.db2.gz RNCNXEUJGPYYDH-HNNXBMFYSA-N 0 0 330.407 3.186 10 10 EGCERN Cc1ccc(C)c([C@@H]2CN(C(=O)Cc3ccc(N)cc3)[C@@H](C)CO2)c1 ZINC000237704242 455208872 /nfs/dbraw/zinc/20/88/72/455208872.db2.gz LSTNXZHWDFTGCL-JXFKEZNVSA-N 0 0 338.451 3.417 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2noc(C)n2)c(C)n1-c1ccccc1C ZINC000183334397 455278697 /nfs/dbraw/zinc/27/86/97/455278697.db2.gz WHFSAEPYBFSEDZ-UHFFFAOYSA-N 0 0 338.411 3.366 10 10 EGCERN COc1ccc(O)c(CNC2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000181803246 455384535 /nfs/dbraw/zinc/38/45/35/455384535.db2.gz RUCMSKFRVMOQSO-UHFFFAOYSA-N 0 0 329.400 3.220 10 10 EGCERN COc1cc(N(C)Cc2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000266009816 455420523 /nfs/dbraw/zinc/42/05/23/455420523.db2.gz RMKLRAYVQOPKSK-UHFFFAOYSA-N 0 0 345.395 3.120 10 10 EGCERN COc1cc(Cl)cc(C[N@@H+]2CCCN(c3ccccn3)CC2)c1O ZINC000184809040 455451173 /nfs/dbraw/zinc/45/11/73/455451173.db2.gz BTCAYUCPRSXLAE-UHFFFAOYSA-N 0 0 347.846 3.162 10 10 EGCERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000191412086 455484129 /nfs/dbraw/zinc/48/41/29/455484129.db2.gz ITZRGJNLAFXFBG-LPHOPBHVSA-N 0 0 330.472 3.450 10 10 EGCERN COc1ccc(O)c([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000185324479 455540040 /nfs/dbraw/zinc/54/00/40/455540040.db2.gz WYNRMQVZSBUJLS-XIKOKIGWSA-N 0 0 338.411 3.268 10 10 EGCERN CC(C)(C)C[C@H](O)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000292316557 455626771 /nfs/dbraw/zinc/62/67/71/455626771.db2.gz WLMZDBSAMRJLEM-SJORKVTESA-N 0 0 349.471 3.087 10 10 EGCERN Cc1nn(C)c(C)c1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271480564 455653399 /nfs/dbraw/zinc/65/33/99/455653399.db2.gz IFUHFIVBVZAQIF-UHFFFAOYSA-N 0 0 341.459 3.299 10 10 EGCERN CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2)ncn1 ZINC000248523069 455717629 /nfs/dbraw/zinc/71/76/29/455717629.db2.gz SIEUWMRVULZARH-CJNGLKHVSA-N 0 0 344.434 3.203 10 10 EGCERN C[C@]12CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@H]1C2(F)F ZINC000292681934 455730329 /nfs/dbraw/zinc/73/03/29/455730329.db2.gz ASOCVBMRLMSLSY-YPMHNXCESA-N 0 0 332.734 3.431 10 10 EGCERN CCN(CC)c1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000248830024 455733352 /nfs/dbraw/zinc/73/33/52/455733352.db2.gz HTJIOTARGSOUDR-MSOLQXFVSA-N 0 0 344.459 3.186 10 10 EGCERN CC[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccccc1O ZINC000186402207 455760483 /nfs/dbraw/zinc/76/04/83/455760483.db2.gz IYNXYAMTQUIABH-HNNXBMFYSA-N 0 0 346.452 3.278 10 10 EGCERN CC[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccccc1O ZINC000186402224 455760703 /nfs/dbraw/zinc/76/07/03/455760703.db2.gz IYNXYAMTQUIABH-OAHLLOKOSA-N 0 0 346.452 3.278 10 10 EGCERN COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl ZINC000293429938 455785609 /nfs/dbraw/zinc/78/56/09/455785609.db2.gz NPXMSDIUNQODAE-UHFFFAOYSA-N 0 0 346.814 3.454 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCCO2 ZINC000193946060 455787695 /nfs/dbraw/zinc/78/76/95/455787695.db2.gz DPARDDPLKRDRIV-LBPRGKRZSA-N 0 0 342.395 3.176 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000294211076 455808728 /nfs/dbraw/zinc/80/87/28/455808728.db2.gz LIAQTZPGFFKSIM-VIFPVBQESA-N 0 0 340.748 3.159 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000294550947 455819029 /nfs/dbraw/zinc/81/90/29/455819029.db2.gz FGNLVQXNCVJRLJ-UHFFFAOYSA-N 0 0 341.839 3.400 10 10 EGCERN COc1cc(C)c(NC(=O)NCCc2ccc(O)c(O)c2)cc1C ZINC000278708773 455845788 /nfs/dbraw/zinc/84/57/88/455845788.db2.gz QRFUWCNHZDUEJW-UHFFFAOYSA-N 0 0 330.384 3.087 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(N2CCCCC2)cc1 ZINC000269484990 455848213 /nfs/dbraw/zinc/84/82/13/455848213.db2.gz RLZHLYJTPIVXQQ-UHFFFAOYSA-N 0 0 340.423 3.061 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1sc2nccn2c1C ZINC000269910395 455853931 /nfs/dbraw/zinc/85/39/31/455853931.db2.gz QREOGROXWDYOEL-UHFFFAOYSA-N 0 0 329.425 3.462 10 10 EGCERN CCc1csc([C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)n1 ZINC000187093060 455869885 /nfs/dbraw/zinc/86/98/85/455869885.db2.gz ZZGKRQWHRFSVET-NSHDSACASA-N 0 0 332.425 3.137 10 10 EGCERN COc1cccc(CNC(=O)Nc2ccc(C3CCC3)cn2)c1O ZINC000296768752 456033366 /nfs/dbraw/zinc/03/33/66/456033366.db2.gz BJJJTMUCQQXQNV-UHFFFAOYSA-N 0 0 327.384 3.385 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000189047591 456210820 /nfs/dbraw/zinc/21/08/20/456210820.db2.gz PRHVTORVMMDOHG-YVEFUNNKSA-N 0 0 346.377 3.122 10 10 EGCERN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nnn1C(C)C ZINC000292139995 456866601 /nfs/dbraw/zinc/86/66/01/456866601.db2.gz CRLQQZILMDBIEW-UHFFFAOYSA-N 0 0 341.459 3.038 10 10 EGCERN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1C(C)C ZINC000292190875 456880353 /nfs/dbraw/zinc/88/03/53/456880353.db2.gz HVHCHDSMRDMOAL-UHFFFAOYSA-N 0 0 343.475 3.284 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374791047 457707895 /nfs/dbraw/zinc/70/78/95/457707895.db2.gz CZLWWBAVYIXIJX-XSBJJCPUSA-N 0 0 327.355 3.208 10 10 EGCERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000366834096 457903390 /nfs/dbraw/zinc/90/33/90/457903390.db2.gz UOGMIKWCVUWWGU-UTJZZEGQSA-N 0 0 341.382 3.440 10 10 EGCERN Cc1cc(Cl)cc(CN2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000367832685 457984843 /nfs/dbraw/zinc/98/48/43/457984843.db2.gz OUEHYLVGMLGIFX-OAHLLOKOSA-N 0 0 345.892 3.143 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000528828147 459814639 /nfs/dbraw/zinc/81/46/39/459814639.db2.gz SJYXCGMLBNJFHZ-MRXNPFEDSA-N 0 0 333.334 3.451 10 10 EGCERN COc1ccc(O)c(CNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)c1 ZINC000528867239 459815532 /nfs/dbraw/zinc/81/55/32/459815532.db2.gz ZMPCDJZOEASTCT-INIZCTEOSA-N 0 0 349.333 3.117 10 10 EGCERN COc1ccc(O)c(CNC(=O)C2CCc3ccccc3CC2)c1 ZINC000528865754 459815731 /nfs/dbraw/zinc/81/57/31/459815731.db2.gz UZHUSHHTWIJQEL-UHFFFAOYSA-N 0 0 325.408 3.212 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000625916149 460302412 /nfs/dbraw/zinc/30/24/12/460302412.db2.gz LRXOIBQQAYIQAE-LSDHHAIUSA-N 0 0 328.437 3.343 10 10 EGCERN CO[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CCCCC1 ZINC000611658363 460423869 /nfs/dbraw/zinc/42/38/69/460423869.db2.gz VJPWJPOYRQWUFA-SFHVURJKSA-N 0 0 332.444 3.073 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)NCC2CSC2)CCCC1 ZINC000616069607 460462826 /nfs/dbraw/zinc/46/28/26/460462826.db2.gz CBUPJNSLHMFVMH-UHFFFAOYSA-N 0 0 344.480 3.008 10 10 EGCERN O=C(NCCc1ccccc1Br)NCc1ccccc1O ZINC000726249911 574547484 /nfs/dbraw/zinc/54/74/84/574547484.db2.gz OCVHVCXCBHIOEK-UHFFFAOYSA-N 0 0 349.228 3.197 10 10 EGCERN CCN(Cc1cn(-c2ccccc2)nn1)c1ccc(OC)c(OC)c1 ZINC000726789624 574571754 /nfs/dbraw/zinc/57/17/54/574571754.db2.gz QJZRCOZOGPXMTJ-UHFFFAOYSA-N 0 0 338.411 3.311 10 10 EGCERN O=C(COC(=O)C1=CC(=O)CS1)c1ccccc1Br ZINC000732353173 575261493 /nfs/dbraw/zinc/26/14/93/575261493.db2.gz NDTXHEBWDFYXGU-UHFFFAOYSA-N 0 0 341.182 3.256 10 10 EGCERN CCN(Cc1cccc(C(=O)NC)c1)c1ccc(OC)c(OC)c1 ZINC000733793833 575390515 /nfs/dbraw/zinc/39/05/15/575390515.db2.gz ANPWWRJZEHBAGI-UHFFFAOYSA-N 0 0 328.412 3.090 10 10 EGCERN C[C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)n1cccc1 ZINC000735519385 575677976 /nfs/dbraw/zinc/67/79/76/575677976.db2.gz QUGYJASXAKTEJI-SJLPKXTDSA-N 0 0 342.439 3.353 10 10 EGCERN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)c1ccc2c(c1)CCC2 ZINC000743719503 576815237 /nfs/dbraw/zinc/81/52/37/576815237.db2.gz DBVQQEGFSJXBKI-UHFFFAOYSA-N 0 0 349.430 3.259 10 10 EGCERN Cc1csc([C@@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000069326791 1292240199 /nfs/dbraw/zinc/24/01/99/1292240199.db2.gz XLRCWZHBIGGBGC-CYBMUJFWSA-N 0 0 344.484 3.394 10 10 EGCERN O=C(NCCCC1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000077624209 1292476111 /nfs/dbraw/zinc/47/61/11/1292476111.db2.gz UIPSOEYIKZPSCS-KRWDZBQOSA-N 0 0 332.444 3.273 10 10 EGCERN Cc1ccc(/C=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000096912688 1292955524 /nfs/dbraw/zinc/95/55/24/1292955524.db2.gz HRBKGJWRJNBVBI-KTKRTIGZSA-N 0 0 340.423 3.096 10 10 EGCERN Cc1[nH]c2ccccc2c1/C=C1/NC(=S)N(Cc2ccco2)C1=O ZINC000104991219 1293029854 /nfs/dbraw/zinc/02/98/54/1293029854.db2.gz BZSKLWFYLGFPMR-CXUHLZMHSA-N 0 0 337.404 3.327 10 10 EGCERN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)c(F)cc1F ZINC000128716626 1293602726 /nfs/dbraw/zinc/60/27/26/1293602726.db2.gz OOQUIQMQYXZZRB-UHFFFAOYSA-N 0 0 336.313 3.193 10 10 EGCERN COc1cccc(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1O ZINC000175931600 1294581415 /nfs/dbraw/zinc/58/14/15/1294581415.db2.gz DESFJDGZGHJFIN-JSGCOSHPSA-N 0 0 333.334 3.099 10 10 EGCERN CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000191378260 1295674031 /nfs/dbraw/zinc/67/40/31/1295674031.db2.gz DPUAJUHZUMMKMA-PKOBYXMFSA-N 0 0 345.487 3.290 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C(F)F)C2)cc1 ZINC000194109258 1295943607 /nfs/dbraw/zinc/94/36/07/1295943607.db2.gz WLTKIORCTIHUMB-MRXNPFEDSA-N 0 0 334.366 3.200 10 10 EGCERN Cc1cc(-n2c(C)cc(C(=O)N3Cc4cccc(O)c4C3)c2C)no1 ZINC000871198488 1296268887 /nfs/dbraw/zinc/26/88/87/1296268887.db2.gz IOLIRKABQHYWFX-UHFFFAOYSA-N 0 0 337.379 3.252 10 10 EGCERN CCc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1CCC(C)C ZINC000871204895 1296270895 /nfs/dbraw/zinc/27/08/95/1296270895.db2.gz RYNLRJVVUMSZPB-UHFFFAOYSA-N 0 0 327.428 3.353 10 10 EGCERN Cc1c(C)n(C)c2ccc(OCc3cn(C[C@@H]4CCOC4)nn3)cc12 ZINC000871757338 1296521597 /nfs/dbraw/zinc/52/15/97/1296521597.db2.gz XWBKMYFGHUSRAM-HNNXBMFYSA-N 0 0 340.427 3.002 10 10 EGCERN COc1cccc(/C(C)=C\C(=O)NCc2cc(OC)ccc2O)c1 ZINC000255571563 1296548950 /nfs/dbraw/zinc/54/89/50/1296548950.db2.gz FERTZYCZGLDMHC-LCYFTJDESA-N 0 0 327.380 3.129 10 10 EGCERN CCCN(Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CC[NH2+]C1 ZINC000708098983 1298235488 /nfs/dbraw/zinc/23/54/88/1298235488.db2.gz NWNWKLLBZYWXIH-LBPRGKRZSA-N 0 0 347.684 3.382 10 10 EGCERN C[C@]1(C(=O)NCCCSc2nccs2)OCCc2ccccc21 ZINC000878834345 1300215650 /nfs/dbraw/zinc/21/56/50/1300215650.db2.gz OWFSSHYXIAEMND-KRWDZBQOSA-N 0 0 348.493 3.230 10 10 EGCERN Cc1c(NC(=O)C2=CC(=O)CS2)c(=O)n(C2CCCCC2)n1C ZINC000880518299 1301145300 /nfs/dbraw/zinc/14/53/00/1301145300.db2.gz DVHIBRKCIYASCL-UHFFFAOYSA-N 0 0 335.429 3.020 10 10 EGCERN CC(=O)c1cc(Cl)cc(Cn2cc([C@@H]3CCCC(=O)C3)nn2)c1O ZINC000880999972 1301383081 /nfs/dbraw/zinc/38/30/81/1301383081.db2.gz WMIJLRWDXQJGEN-LLVKDONJSA-N 0 0 347.802 3.115 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1CCC[C@]12CCCO2)c1ccc(N(C)C)cc1 ZINC000883582623 1302512526 /nfs/dbraw/zinc/51/25/26/1302512526.db2.gz YNINVUDEMFKAGR-YJLNNSPDSA-N 0 0 331.460 3.215 10 10 EGCERN CCc1nn(C)cc1NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894371807 1306365015 /nfs/dbraw/zinc/36/50/15/1306365015.db2.gz GXNBGXGISLIZSK-UHFFFAOYSA-N 0 0 344.390 3.012 10 10 EGCERN CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000894813656 1309085076 /nfs/dbraw/zinc/08/50/76/1309085076.db2.gz CCXAQSOAOVKTBV-LLVKDONJSA-N 0 0 334.641 3.153 10 10 EGCERN COc1ccc(C2CC[NH+](Cc3cc(F)cc(F)c3[O-])CC2)nc1 ZINC000895129132 1309199813 /nfs/dbraw/zinc/19/98/13/1309199813.db2.gz MAVAINGBSJDGSL-UHFFFAOYSA-N 0 0 334.366 3.454 10 10 EGCERN C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000895477017 1309358782 /nfs/dbraw/zinc/35/87/82/1309358782.db2.gz PGUMFKYXRBGOBY-PRHODGIISA-N 0 0 325.277 3.212 10 10 EGCERN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895846588 1309556051 /nfs/dbraw/zinc/55/60/51/1309556051.db2.gz QRPGSXJMRRBLFW-BXUZGUMPSA-N 0 0 326.234 3.156 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(OCC2CC2)CC1 ZINC000896766132 1310004577 /nfs/dbraw/zinc/00/45/77/1310004577.db2.gz PNQFEJONMUCJQL-UHFFFAOYSA-N 0 0 347.436 3.344 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(C(F)F)CC1 ZINC000897030220 1310145069 /nfs/dbraw/zinc/14/50/69/1310145069.db2.gz NKMAQDHQLQBWEW-UHFFFAOYSA-N 0 0 327.352 3.430 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000897861836 1310496339 /nfs/dbraw/zinc/49/63/39/1310496339.db2.gz QVXUBTWIQQPHCF-AEFFLSMTSA-N 0 0 345.420 3.096 10 10 EGCERN COc1ccc(N2CCN([C@H](C)c3ccc(F)nc3)CC2)cc1F ZINC000929824595 1328711383 /nfs/dbraw/zinc/71/13/83/1328711383.db2.gz XFTVNWSFOZYTLS-CYBMUJFWSA-N 0 0 333.382 3.252 10 10 EGCERN COc1cccc(C[C@@H](C)NC(=O)NCc2cc(C)ccc2O)c1 ZINC000858215983 1328713247 /nfs/dbraw/zinc/71/32/47/1328713247.db2.gz RQWZIKHUCQKCEJ-CQSZACIVSA-N 0 0 328.412 3.140 10 10 EGCERN COc1cccc(O)c1CNc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000858310883 1328734305 /nfs/dbraw/zinc/73/43/05/1328734305.db2.gz APBQAKGNXAYEFW-GFCCVEGCSA-N 0 0 326.396 3.483 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NC[C@H]2CSc3ccccc3O2)c1 ZINC000858570480 1328796686 /nfs/dbraw/zinc/79/66/86/1328796686.db2.gz KCDPRAIUYZEDPS-AWEZNQCLSA-N 0 0 344.436 3.053 10 10 EGCERN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c(C)csc2C)c1 ZINC000914153433 1319253931 /nfs/dbraw/zinc/25/39/31/1319253931.db2.gz AYEUUYOOJMHKFE-JTQLQIEISA-N 0 0 341.454 3.119 10 10 EGCERN Cc1cnc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000914180634 1319258934 /nfs/dbraw/zinc/25/89/34/1319258934.db2.gz SUGABXDTMMHKOI-UHFFFAOYSA-N 0 0 338.455 3.298 10 10 EGCERN CCCOCc1ccccc1CNC(=O)NCc1c(O)cccc1F ZINC000914217353 1319269815 /nfs/dbraw/zinc/26/98/15/1319269815.db2.gz FJWICQUQVXLQFP-UHFFFAOYSA-N 0 0 346.402 3.457 10 10 EGCERN C[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCS1 ZINC000915391327 1319479192 /nfs/dbraw/zinc/47/91/92/1319479192.db2.gz ZMPKXMNKEOBTNH-BBRMVZONSA-N 0 0 333.501 3.152 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@]1(C)Br ZINC000858826294 1328869285 /nfs/dbraw/zinc/86/92/85/1328869285.db2.gz GNHVAIDYTJZPAF-ZBFHGGJFSA-N 0 0 339.277 3.275 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@@H]3CCCC34CC4)CC2)cc1 ZINC000859096338 1328922360 /nfs/dbraw/zinc/92/23/60/1328922360.db2.gz BVJCDGGFLISISH-SFHVURJKSA-N 0 0 328.456 3.361 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H]2CCCOC2)ccc1C ZINC000859253595 1328955525 /nfs/dbraw/zinc/95/55/25/1328955525.db2.gz ZNBCPGQAFRRNGM-GOSISDBHSA-N 0 0 340.423 3.124 10 10 EGCERN CC1(C)C[C@@H](C(=O)NCCCSc2nccs2)C(C)(C)O1 ZINC000859352755 1328974157 /nfs/dbraw/zinc/97/41/57/1328974157.db2.gz XLZBLEHAFCVIOP-NSHDSACASA-N 0 0 328.503 3.335 10 10 EGCERN CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1c(O)cccc1F ZINC000921451782 1322318171 /nfs/dbraw/zinc/31/81/71/1322318171.db2.gz VVUPTZHBNWFUQK-UHFFFAOYSA-N 0 0 339.379 3.022 10 10 EGCERN C[C@H](NC(=O)N1CCOC[C@H]1CC1CC1)c1ccc(N(C)C)cc1 ZINC000922055651 1322445675 /nfs/dbraw/zinc/44/56/75/1322445675.db2.gz RSJIEDUBFVMBBX-KBXCAEBGSA-N 0 0 331.460 3.024 10 10 EGCERN CN(C)c1ccc(/C=C/CNCc2cn(C)nc2Br)cc1 ZINC000922468320 1322535018 /nfs/dbraw/zinc/53/50/18/1322535018.db2.gz STEQEEHSRICCOP-SNAWJCMRSA-N 0 0 349.276 3.052 10 10 EGCERN CN(C)c1cc(F)c(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1F ZINC000922751131 1322609610 /nfs/dbraw/zinc/60/96/10/1322609610.db2.gz LYAXLSYYHDABME-CQSZACIVSA-N 0 0 339.352 3.003 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c1 ZINC000922961397 1322662847 /nfs/dbraw/zinc/66/28/47/1322662847.db2.gz LEHSPNZNDYRKKU-GOSISDBHSA-N 0 0 328.368 3.096 10 10 EGCERN Cc1ccc(C(C)(C)CNC(=O)NCc2c(O)cccc2F)nc1 ZINC000923411943 1322747076 /nfs/dbraw/zinc/74/70/76/1322747076.db2.gz GPXCVGBKTJUWGI-UHFFFAOYSA-N 0 0 331.391 3.012 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC000931146402 1329061006 /nfs/dbraw/zinc/06/10/06/1329061006.db2.gz MFYKOIHYNNZTEP-BXUZGUMPSA-N 0 0 348.340 3.008 10 10 EGCERN CCn1nc(C)c([C@H](C)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000924705385 1323124481 /nfs/dbraw/zinc/12/44/81/1323124481.db2.gz BKIHHUWGZJRBFQ-AWEZNQCLSA-N 0 0 345.516 3.010 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(F)cc2C)c1O ZINC000926227772 1325483018 /nfs/dbraw/zinc/48/30/18/1325483018.db2.gz GTEDDHFXWFUZDP-LBPRGKRZSA-N 0 0 332.375 3.409 10 10 EGCERN C[C@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)c1ccc(N(C)C)cc1 ZINC000860949856 1329372098 /nfs/dbraw/zinc/37/20/98/1329372098.db2.gz GMJBTWOVQYVEMG-XJKSGUPXSA-N 0 0 342.414 3.320 10 10 EGCERN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926915195 1327773981 /nfs/dbraw/zinc/77/39/81/1327773981.db2.gz KGLQHUHFDYNJRE-CHIMOYNISA-N 0 0 348.321 3.451 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCC3(CCC3)O2)c1 ZINC000927157019 1327897267 /nfs/dbraw/zinc/89/72/67/1327897267.db2.gz COEDVPYOFFGMAT-UKRRQHHQSA-N 0 0 348.443 3.253 10 10 EGCERN Cc1cc(C(=O)OCc2cc(C)nnc2C)c(C)n1-c1ccccn1 ZINC000861064756 1329384021 /nfs/dbraw/zinc/38/40/21/1329384021.db2.gz FFRLOGBSJAZMNP-UHFFFAOYSA-N 0 0 336.395 3.253 10 10 EGCERN CCOc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2F)cc1 ZINC000928710222 1328405697 /nfs/dbraw/zinc/40/56/97/1328405697.db2.gz QKUSIHCJJPVXJZ-UHFFFAOYSA-N 0 0 345.370 3.209 10 10 EGCERN CSc1nc(C2CC2)nc(C)c1C(=O)NCc1c(O)cccc1F ZINC000928712583 1328407283 /nfs/dbraw/zinc/40/72/83/1328407283.db2.gz TZUJWQOOLBOYJQ-UHFFFAOYSA-N 0 0 347.415 3.159 10 10 EGCERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCc3cc(F)ccc32)C1 ZINC000861561542 1329426740 /nfs/dbraw/zinc/42/67/40/1329426740.db2.gz IZPZPAPJZNUERW-HNNXBMFYSA-N 0 0 346.402 3.328 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H]2C2CC2)cc1 ZINC000861875960 1329447120 /nfs/dbraw/zinc/44/71/20/1329447120.db2.gz XOKHUZHBXJTUNV-HXUWFJFHSA-N 0 0 336.435 3.460 10 10 EGCERN Cc1c(C(=O)NCc2ccc3cccnc3c2O)cnn1C(C)(C)C ZINC000862029303 1329456144 /nfs/dbraw/zinc/45/61/44/1329456144.db2.gz UZTHCSGWONPOMH-UHFFFAOYSA-N 0 0 338.411 3.130 10 10 EGCERN COCC1(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 ZINC000862142438 1329461675 /nfs/dbraw/zinc/46/16/75/1329461675.db2.gz VWIRAUBRQALUFB-UHFFFAOYSA-N 0 0 340.423 3.063 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)c3ccco3)C2)cc1 ZINC000862158238 1329463244 /nfs/dbraw/zinc/46/32/44/1329463244.db2.gz FGNPUOKIGGPWOD-CABCVRRESA-N 0 0 328.412 3.177 10 10 EGCERN CN(C)c1cc(F)c(CN2CCO[C@H](CC(F)(F)F)C2)cc1F ZINC000862418342 1329484410 /nfs/dbraw/zinc/48/44/10/1329484410.db2.gz OEUKSTQVUTZJGB-LLVKDONJSA-N 0 0 338.320 3.184 10 10 EGCERN CN(C)c1cc(F)c(CNc2cccc(-n3nccn3)c2)cc1F ZINC000864043310 1329594844 /nfs/dbraw/zinc/59/48/44/1329594844.db2.gz IXRYABZOAUNMSP-UHFFFAOYSA-N 0 0 329.354 3.224 10 10 EGCERN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccncc1 ZINC000864918999 1329651516 /nfs/dbraw/zinc/65/15/16/1329651516.db2.gz OFCJUORKWBGIBN-OAHLLOKOSA-N 0 0 341.480 3.055 10 10 EGCERN COc1ccc(N2CCCN(c3cccc(C(C)=O)n3)CC2)cc1 ZINC000865455268 1329699757 /nfs/dbraw/zinc/69/97/57/1329699757.db2.gz DFZTVLAOMSPGKU-UHFFFAOYSA-N 0 0 325.412 3.010 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H](C)c2ccncc2)cc1F ZINC000865635854 1329723675 /nfs/dbraw/zinc/72/36/75/1329723675.db2.gz HSNNOVHRKNPCAB-CQSZACIVSA-N 0 0 329.419 3.487 10 10 EGCERN FC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000865822516 1329742486 /nfs/dbraw/zinc/74/24/86/1329742486.db2.gz JARYILWBRSXVHT-IBGZPJMESA-N 0 0 332.394 3.463 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000935309846 1330043312 /nfs/dbraw/zinc/04/33/12/1330043312.db2.gz GVCPFJYXLAIZBI-OLMNPRSZSA-N 0 0 339.435 3.414 10 10 EGCERN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])c1ccnn1C ZINC000866613375 1330133259 /nfs/dbraw/zinc/13/32/59/1330133259.db2.gz HSMMGWZVTCYSSY-DTWKUNHWSA-N 0 0 342.212 3.439 10 10 EGCERN C[C@H](NC(=O)c1cccn(C(C)(C)C)c1=O)c1ccc(N(C)C)cc1 ZINC000867502712 1330206578 /nfs/dbraw/zinc/20/65/78/1330206578.db2.gz BJOZFDURCPXUIN-AWEZNQCLSA-N 0 0 341.455 3.160 10 10 EGCERN COc1ccccc1OCCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868214201 1330262441 /nfs/dbraw/zinc/26/24/41/1330262441.db2.gz SFIWRMXLSKRLQF-AWEZNQCLSA-N 0 0 344.411 3.230 10 10 EGCERN C[C@H](NC(=O)NCc1cc(COC(C)(C)C)on1)c1ccccc1O ZINC000868516369 1330289249 /nfs/dbraw/zinc/28/92/49/1330289249.db2.gz AMXZDMGRPFGDTF-LBPRGKRZSA-N 0 0 347.415 3.256 10 10 EGCERN C[C@H](NC(=O)NC[C@]1(C)OCCc2sccc21)c1ccccc1O ZINC000868626361 1330301654 /nfs/dbraw/zinc/30/16/54/1330301654.db2.gz IENTXBSGGOPCQG-SGTLLEGYSA-N 0 0 346.452 3.302 10 10 EGCERN COc1cccc([C@@H]2C[C@H]2NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868679553 1330314111 /nfs/dbraw/zinc/31/41/11/1330314111.db2.gz NQLDJAPLMOGBFT-AFAVFJNCSA-N 0 0 326.396 3.317 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCCC[C@@H]3F)C2)cc1 ZINC000868720421 1330324288 /nfs/dbraw/zinc/32/42/88/1330324288.db2.gz LMXNQJYQKLXCSD-FHLIZLRMSA-N 0 0 349.450 3.101 10 10 EGCERN C[C@H](NC(=O)NCc1cccc2c1CCOC2)c1ccccc1O ZINC000868973713 1330384403 /nfs/dbraw/zinc/38/44/03/1330384403.db2.gz XGSSQOHSQDFWIT-ZDUSSCGKSA-N 0 0 326.396 3.025 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)NCc1cccc2c1CCOC2 ZINC000868973091 1330384685 /nfs/dbraw/zinc/38/46/85/1330384685.db2.gz PXAPRKFMUOTXRO-UHFFFAOYSA-N 0 0 346.814 3.118 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC12CCOCC2 ZINC000869029655 1330397120 /nfs/dbraw/zinc/39/71/20/1330397120.db2.gz YKWKBJUEKJTCFS-QGZVFWFLSA-N 0 0 345.487 3.067 10 10 EGCERN Cc1cnc(C)nc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001325088956 1387897488 /nfs/dbraw/zinc/89/74/88/1387897488.db2.gz ICCXMDIIYQMPQR-KBPBESRZSA-N 0 0 344.434 3.458 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@H]3CCC[C@H](F)C3)CC2)cc1 ZINC001326157292 1388120653 /nfs/dbraw/zinc/12/06/53/1388120653.db2.gz XTVWMOWJELMXPU-HOTGVXAUSA-N 0 0 334.435 3.262 10 10 EGCERN CCOC(=O)c1ccc[n+]([O-])c1/C=C/c1ccc(N2CCCC2)cc1 ZINC001119596934 1371371853 /nfs/dbraw/zinc/37/18/53/1371371853.db2.gz AQNTWTYWUBLWDM-FMIVXFBMSA-N 0 0 338.407 3.267 10 10 EGCERN C[C@H](NC(=O)NC[C@H]1OCc2ccccc21)c1ccc(N(C)C)cc1 ZINC001123529393 1372496223 /nfs/dbraw/zinc/49/62/23/1372496223.db2.gz OPGFBFMKRHTRIZ-IFXJQAMLSA-N 0 0 339.439 3.384 10 10 EGCERN C[C@H](NC(=O)N1CC[C@H]1[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC001123548536 1372503613 /nfs/dbraw/zinc/50/36/13/1372503613.db2.gz ASKRMJNJXWLSMB-LESCRADOSA-N 0 0 331.460 3.024 10 10 EGCERN Cc1ccc(N(C)C(=O)/C=C/c2cn(C)cn2)cc1Br ZINC001128260866 1373243467 /nfs/dbraw/zinc/24/34/67/1373243467.db2.gz IIUORIMXKWYEIX-FNORWQNLSA-N 0 0 334.217 3.167 10 10 EGCERN COc1ccc(C(=O)Nc2c3nonc3ccc2Cl)c(Cl)n1 ZINC001128603342 1373296677 /nfs/dbraw/zinc/29/66/77/1373296677.db2.gz GSRJWLXSSPVQLT-UHFFFAOYSA-N 0 0 339.138 3.186 10 10 EGCERN Cc1cc(CNC(=O)Cc2cscn2)c(C)n1-c1ccccc1 ZINC001132048460 1375116896 /nfs/dbraw/zinc/11/68/96/1375116896.db2.gz VXLVEIGXFIEBKS-UHFFFAOYSA-N 0 0 325.437 3.410 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)cc1 ZINC001230823390 1376158744 /nfs/dbraw/zinc/15/87/44/1376158744.db2.gz ZKVITWFFEKAHSQ-ZTFGCOKTSA-N 0 0 347.503 3.392 10 10 EGCERN Cc1cc([C@@H]2CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001135252671 1377003099 /nfs/dbraw/zinc/00/30/99/1377003099.db2.gz BLQHTTWCRALGLC-AWEZNQCLSA-N 0 0 327.344 3.123 10 10 EGCERN CCc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(C)nn1 ZINC001136025487 1377302956 /nfs/dbraw/zinc/30/29/56/1377302956.db2.gz MEWOBPDCIMJWPE-UHFFFAOYSA-N 0 0 338.455 3.220 10 10 EGCERN Cc1cnc(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)s1 ZINC001136025255 1377303210 /nfs/dbraw/zinc/30/32/10/1377303210.db2.gz CKIVPCRQRPXAHL-UHFFFAOYSA-N 0 0 329.469 3.253 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cccc3nsnc32)cc1 ZINC001136300626 1377373943 /nfs/dbraw/zinc/37/39/43/1377373943.db2.gz XQXRQIXIIHFIST-UHFFFAOYSA-N 0 0 340.452 3.468 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2cccc(C)n12 ZINC001136429086 1377392256 /nfs/dbraw/zinc/39/22/56/1377392256.db2.gz YRYTUABBQWPJMT-UHFFFAOYSA-N 0 0 336.439 3.371 10 10 EGCERN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001136637033 1377411414 /nfs/dbraw/zinc/41/14/14/1377411414.db2.gz XTKYGNGIBNPUBM-CQSZACIVSA-N 0 0 325.408 3.468 10 10 EGCERN CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001136705346 1377416352 /nfs/dbraw/zinc/41/63/52/1377416352.db2.gz JJPJDEDNVPEBKR-SFFCAUCYSA-N 0 0 330.472 3.256 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001137345311 1377527875 /nfs/dbraw/zinc/52/78/75/1377527875.db2.gz CBHKQMNPMIUYEL-UHFFFAOYSA-N 0 0 349.312 3.331 10 10 EGCERN CCOc1cccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001137638635 1377578701 /nfs/dbraw/zinc/57/87/01/1377578701.db2.gz OCCGMAVRHGAJHO-UHFFFAOYSA-N 0 0 340.383 3.220 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2ccn(C)c2c1 ZINC001140198920 1378030368 /nfs/dbraw/zinc/03/03/68/1378030368.db2.gz YNLDDJLLKPRWLP-UHFFFAOYSA-N 0 0 329.396 3.300 10 10 EGCERN Cc1cc(C(=O)NC2([C@@H](C)O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001148495394 1379189236 /nfs/dbraw/zinc/18/92/36/1379189236.db2.gz MJASPZUAHAPGFQ-MRXNPFEDSA-N 0 0 326.440 3.354 10 10 EGCERN Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(OC(C)(C)C)c1 ZINC001150616838 1379580063 /nfs/dbraw/zinc/58/00/63/1379580063.db2.gz CNOHCSPGLAXGKE-UHFFFAOYSA-N 0 0 343.423 3.442 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1(CO)CCC1 ZINC001154116999 1380211957 /nfs/dbraw/zinc/21/19/57/1380211957.db2.gz MZKGDMNVWDOUJX-UHFFFAOYSA-N 0 0 326.440 3.295 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H](CO)[C@H]2C)c(C)n1-c1ccccc1C ZINC001155891706 1380503028 /nfs/dbraw/zinc/50/30/28/1380503028.db2.gz CGYMHYMOGPTNJK-NVXWUHKLSA-N 0 0 326.440 3.245 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccc(-c2ccccc2F)o1 ZINC001156881085 1380715657 /nfs/dbraw/zinc/71/56/57/1380715657.db2.gz OLRVEJUBQSJYNA-UHFFFAOYSA-N 0 0 327.311 3.427 10 10 EGCERN COC(=O)CCCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001287662182 1381320773 /nfs/dbraw/zinc/32/07/73/1381320773.db2.gz XRNRRYDTEVUNIE-UHFFFAOYSA-N 0 0 342.439 3.362 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1ccccc1-n1cccn1 ZINC001159033743 1381526609 /nfs/dbraw/zinc/52/66/09/1381526609.db2.gz NHLQVFLGWJWTED-UHFFFAOYSA-N 0 0 327.771 3.161 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CN(C)C)o1 ZINC001291849811 1382158750 /nfs/dbraw/zinc/15/87/50/1382158750.db2.gz LDNGREVJOXOWRT-UHFFFAOYSA-N 0 0 343.471 3.458 10 10 EGCERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001294674172 1382483107 /nfs/dbraw/zinc/48/31/07/1382483107.db2.gz LNYATJUPYSWUTE-FSPWUOQZSA-N 0 0 329.396 3.185 10 10 EGCERN Cc1cc(CC(=O)N2CCC[C@H]2C(C)(C)O)c(C)n1-c1ccccc1 ZINC001295347345 1382612500 /nfs/dbraw/zinc/61/25/00/1382612500.db2.gz LDVRLIYWTPKSCV-IBGZPJMESA-N 0 0 340.467 3.399 10 10 EGCERN COc1cc(C(=O)NCc2ccc(O)cc2O)ccc1C(F)(F)F ZINC001162279216 1382719156 /nfs/dbraw/zinc/71/91/56/1382719156.db2.gz WBYRRDFNASVEAD-UHFFFAOYSA-N 0 0 341.285 3.055 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1occc1Br ZINC001162612333 1382808609 /nfs/dbraw/zinc/80/86/09/1382808609.db2.gz HHOZEZKWERLMOQ-UHFFFAOYSA-N 0 0 347.168 3.226 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2sc(Cl)cc2C1 ZINC001163163129 1382980992 /nfs/dbraw/zinc/98/09/92/1382980992.db2.gz PRAQMWLSCFPRSK-RQOWECAXSA-N 0 0 335.812 3.411 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@@H](O)C1 ZINC001163232155 1383001390 /nfs/dbraw/zinc/00/13/90/1383001390.db2.gz PFDVRVNCIUGVMV-CZUORRHYSA-N 0 0 340.379 3.399 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001297082291 1383115758 /nfs/dbraw/zinc/11/57/58/1383115758.db2.gz MNVVNYZWGUKRTG-ZWKOTPCHSA-N 0 0 333.387 3.466 10 10 EGCERN Cc1ccccc1-n1cc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001165498781 1383303053 /nfs/dbraw/zinc/30/30/53/1383303053.db2.gz RMSQQXYOJVTCHC-UHFFFAOYSA-N 0 0 341.798 3.470 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001299479566 1383539697 /nfs/dbraw/zinc/53/96/97/1383539697.db2.gz XZQVAPUESOSZPV-CQSZACIVSA-N 0 0 342.487 3.443 10 10 EGCERN COC(C)(C)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001299485888 1383544137 /nfs/dbraw/zinc/54/41/37/1383544137.db2.gz ZUDLWVCRZGOMKA-UHFFFAOYSA-N 0 0 344.459 3.313 10 10 EGCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)c2ccc(F)cc2n1 ZINC001299570949 1383572482 /nfs/dbraw/zinc/57/24/82/1383572482.db2.gz NLBDGZREIGZOLD-UHFFFAOYSA-N 0 0 326.327 3.024 10 10 EGCERN C[C@H](CC(=O)NCc1ccc2cccnc2c1O)C(=O)c1ccccc1 ZINC001299721931 1383623010 /nfs/dbraw/zinc/62/30/10/1383623010.db2.gz WIQDOPCXOAPVCF-CQSZACIVSA-N 0 0 348.402 3.466 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(C)CCCO1 ZINC001302578859 1383758869 /nfs/dbraw/zinc/75/88/69/1383758869.db2.gz KRLXUTRPIRMZFF-IBGZPJMESA-N 0 0 344.459 3.313 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC001303223668 1383788104 /nfs/dbraw/zinc/78/81/04/1383788104.db2.gz ZPEHRLLHCWGOAL-UHFFFAOYSA-N 0 0 343.770 3.071 10 10 EGCERN COc1cccc(C2(C(=O)NCc3c(O)cccc3O)CCCC2)c1 ZINC001304050164 1383825599 /nfs/dbraw/zinc/82/55/99/1383825599.db2.gz JLULCQPGFKBBQU-UHFFFAOYSA-N 0 0 341.407 3.235 10 10 EGCERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC(c2ccccc2)=NO1 ZINC001304090128 1383829018 /nfs/dbraw/zinc/82/90/18/1383829018.db2.gz YMBFJWQMCSLLDR-FQEVSTJZSA-N 0 0 346.386 3.355 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CCOc3ccccc3C2)cc1OC ZINC001306951162 1383925221 /nfs/dbraw/zinc/92/52/21/1383925221.db2.gz WPZXVKDZDYXSAB-UHFFFAOYSA-N 0 0 330.340 3.011 10 10 EGCERN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCN1CCOC[C@H]1C ZINC001307864037 1384044927 /nfs/dbraw/zinc/04/49/27/1384044927.db2.gz LXELLYYCSNWMPU-AEFFLSMTSA-N 0 0 332.488 3.051 10 10 EGCERN C[C@@H]1CSC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001312670446 1384364580 /nfs/dbraw/zinc/36/45/80/1384364580.db2.gz YNHAKDGHPJCFOY-PBHICJAKSA-N 0 0 333.501 3.180 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[C@H]1CC1(F)F ZINC001313051169 1384390055 /nfs/dbraw/zinc/39/00/55/1384390055.db2.gz JDJFJMMBZWFURV-HNNXBMFYSA-N 0 0 337.414 3.474 10 10 EGCERN O=C(NCc1cccc(O)c1O)c1ncccc1Oc1ccccc1 ZINC001176576813 1385630401 /nfs/dbraw/zinc/63/04/01/1385630401.db2.gz TVKNSFAZPLERGC-UHFFFAOYSA-N 0 0 336.347 3.215 10 10 EGCERN C[C@](O)(Cc1ccccc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033535 1386384451 /nfs/dbraw/zinc/38/44/51/1386384451.db2.gz XZSFOMJUVJJPLO-NRFANRHFSA-N 0 0 335.403 3.155 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1cc(-c2cccnc2)on1 ZINC001180409583 1386787393 /nfs/dbraw/zinc/78/73/93/1386787393.db2.gz DDMNBPRUVQXVKU-UHFFFAOYSA-N 0 0 329.743 3.026 10 10 EGCERN Cc1cc(CC(=O)N2CC[C@](O)(C3CC3)C2)c(C)n1-c1ccccc1 ZINC001330797792 1389530800 /nfs/dbraw/zinc/53/08/00/1389530800.db2.gz NEIFUNBFIPRBIL-OAQYLSRUSA-N 0 0 338.451 3.010 10 10 EGCERN C[C@@H](OC1CCCCC1)C(=O)NCc1ccc2cccnc2c1O ZINC001331643632 1389842553 /nfs/dbraw/zinc/84/25/53/1389842553.db2.gz WFNJRLSWGPJCFM-CYBMUJFWSA-N 0 0 328.412 3.294 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001346211118 1390915566 /nfs/dbraw/zinc/91/55/66/1390915566.db2.gz RVZDELZRRIRGND-RTBURBONSA-N 0 0 345.487 3.304 10 10 EGCERN O=C(NCCCSc1nccs1)NC1([C@H]2CCCO2)CCC1 ZINC001346320571 1390921694 /nfs/dbraw/zinc/92/16/94/1390921694.db2.gz YYGKMHCHWXCVJQ-GFCCVEGCSA-N 0 0 341.502 3.026 10 10 EGCERN Cc1cc(CC(=O)NCC2CCC(O)CC2)c(C)n1-c1ccccc1 ZINC001347865161 1391137034 /nfs/dbraw/zinc/13/70/34/1391137034.db2.gz JYSHICCXOLHNDE-UHFFFAOYSA-N 0 0 340.467 3.304 10 10 EGCERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351671858 1391668030 /nfs/dbraw/zinc/66/80/30/1391668030.db2.gz AZPLFAUILRRPLG-GGXPGOJBSA-N 0 0 330.472 3.305 10 10 EGCERN COc1cccc(C(C)(C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001352214586 1391772912 /nfs/dbraw/zinc/77/29/12/1391772912.db2.gz ALCRTQXFVWDDMT-UHFFFAOYSA-N 0 0 326.440 3.355 10 10 EGCERN Cc1cc(F)ncc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352627697 1391826280 /nfs/dbraw/zinc/82/62/80/1391826280.db2.gz UPXUZRUBRKQPFI-UHFFFAOYSA-N 0 0 327.403 3.402 10 10 EGCERN CO[C@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354113218 1392120980 /nfs/dbraw/zinc/12/09/80/1392120980.db2.gz ABPMTZSUOFNFCQ-AEFFLSMTSA-N 0 0 349.386 3.216 10 10 EGCERN CCc1nc(C)ncc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001355015311 1392185963 /nfs/dbraw/zinc/18/59/63/1392185963.db2.gz LVSGBCCRGMKRKJ-UHFFFAOYSA-N 0 0 326.444 3.124 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCCc2ccc3ncccc3c2)c1 ZINC001479323524 1392214578 /nfs/dbraw/zinc/21/45/78/1392214578.db2.gz KSGWQPCKWPLLCU-UHFFFAOYSA-N 0 0 335.407 3.291 10 10 EGCERN Cc1nnc(N2CCC[C@@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001693500778 1406023409 /nfs/dbraw/zinc/02/34/09/1406023409.db2.gz HUSURVNPEXYJNS-AWEZNQCLSA-N 0 0 325.460 3.006 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1C[C@@]1(C)CCCO1 ZINC001696700048 1406119511 /nfs/dbraw/zinc/11/95/11/1406119511.db2.gz PBPRCABGGZIYOW-LJQANCHMSA-N 0 0 342.443 3.067 10 10 EGCERN COC(C)(C)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001697098613 1406122829 /nfs/dbraw/zinc/12/28/29/1406122829.db2.gz OHQKMQFQSPIEJC-UHFFFAOYSA-N 0 0 346.475 3.343 10 10 EGCERN C=CCN(CC=C)c1nnc(C)n1CCCSc1nccs1 ZINC001705870597 1417140822 /nfs/dbraw/zinc/14/08/22/1417140822.db2.gz VKGLLUAPCKECOX-UHFFFAOYSA-N 0 0 335.502 3.404 10 10 EGCERN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCCCCO ZINC001743567746 1439574157 /nfs/dbraw/zinc/57/41/57/1439574157.db2.gz WIUQBXOMDFISTJ-HNNXBMFYSA-N 0 0 346.475 3.296 10 10 EGCERN C[C@H]1C[C@H]1n1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC001762775858 1441378464 /nfs/dbraw/zinc/37/84/64/1441378464.db2.gz JAZWPVOTXJNUJD-JGGQBBKZSA-N 0 0 328.416 3.053 10 10 EGCERN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(C)cc3)C(=N)N12 ZINC000003862531 210080941 /nfs/dbraw/zinc/08/09/41/210080941.db2.gz RRJWZMCYBXOCCJ-KRLNTZMLSA-N 0 0 330.438 3.325 10 10 EGCERN Nc1ccc(CCOc2cccc(I)c2)cc1 ZINC000035677413 213044748 /nfs/dbraw/zinc/04/47/48/213044748.db2.gz NZYXBHCJCAVQCY-UHFFFAOYSA-N 0 0 339.176 3.495 10 10 EGCERN Nc1ccc(Cn2cnc(-c3nc(-c4ccc(F)cc4)no3)c2)cc1 ZINC000021729835 212246166 /nfs/dbraw/zinc/24/61/66/212246166.db2.gz VJSRXVFJAWGBPC-UHFFFAOYSA-N 0 0 335.342 3.370 10 10 EGCERN COCCCNC(=O)NCc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000009228719 211054561 /nfs/dbraw/zinc/05/45/61/211054561.db2.gz QZJLJTGUHVSLFZ-UHFFFAOYSA-N 0 0 333.407 3.069 10 10 EGCERN COc1cc(/C=C2/C(=O)N(c3cccc(F)c3)N=C2C)ccc1O ZINC000097442003 219024948 /nfs/dbraw/zinc/02/49/48/219024948.db2.gz SXYGQGXKACOPFS-OVCLIPMQSA-N 0 0 326.327 3.346 10 10 EGCERN COC(=O)CN1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S ZINC000033326996 277321247 /nfs/dbraw/zinc/32/12/47/277321247.db2.gz CGICFPQGDMJAMH-PHRMNRNWSA-N 0 0 333.434 3.007 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000180750930 455238865 /nfs/dbraw/zinc/23/88/65/455238865.db2.gz XHBKFOTYXJPYHS-OEAKIKGJSA-N 0 0 346.386 3.412 10 10 EGCERN CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(F)cc3F)o2)C(=O)O1 ZINC000000109527 452511065 /nfs/dbraw/zinc/51/10/65/452511065.db2.gz VLEYIBCEYRYBKM-UHFFFAOYSA-N 0 0 334.274 3.444 10 10 EGCERN Cc1ccc(C2=NN3C(=NC(=O)/C(=C/c4ccco4)C3=N)S2)cc1 ZINC000033424237 453915056 /nfs/dbraw/zinc/91/50/56/453915056.db2.gz UKOXLQUAZTYWGO-WVXZETEUSA-N 0 0 336.376 3.255 10 10 EGCERN CN(C)c1ccc(CNC(=O)CCC(=O)c2ccc(F)c(F)c2)cc1 ZINC000087004634 454055681 /nfs/dbraw/zinc/05/56/81/454055681.db2.gz AKAUSMQDPKRFHA-UHFFFAOYSA-N 0 0 346.377 3.310 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)N3CCOCC[C@@H]3C)cc2)CC1 ZINC000089267366 454132161 /nfs/dbraw/zinc/13/21/61/454132161.db2.gz VLVMERAFEBJEDU-KRWDZBQOSA-N 0 0 345.487 3.243 10 10 EGCERN CCN1N=C(C(F)(F)F)/C(=C/c2cnn(-c3ccccc3)c2)C1=O ZINC000070009856 454163155 /nfs/dbraw/zinc/16/31/55/454163155.db2.gz AKAOPBBBWYRECX-JYRVWZFOSA-N 0 0 334.301 3.036 10 10 EGCERN COC(=O)/C=C/c1ccc(N2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000078371427 454242419 /nfs/dbraw/zinc/24/24/19/454242419.db2.gz XYDNMSYEVGDIEI-LUVVUQNESA-N 0 0 328.368 3.183 10 10 EGCERN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@]2(C)CCCO2)cc1 ZINC000132742468 454362294 /nfs/dbraw/zinc/36/22/94/454362294.db2.gz XVQVDAGXHOIVIV-INIZCTEOSA-N 0 0 344.377 3.213 10 10 EGCERN CC(C)n1nnc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc21 ZINC000064818503 454508876 /nfs/dbraw/zinc/50/88/76/454508876.db2.gz KKOKGLGCSFPBQI-UHFFFAOYSA-N 0 0 337.427 3.008 10 10 EGCERN COc1cc(N(C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000125716449 454841501 /nfs/dbraw/zinc/84/15/01/454841501.db2.gz DEOLMIWTDYMPDB-UHFFFAOYSA-N 0 0 332.356 3.257 10 10 EGCERN COc1cc(O)c(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1OC ZINC000245537339 455323903 /nfs/dbraw/zinc/32/39/03/455323903.db2.gz IWEORCTWEHALLY-XIKOKIGWSA-N 0 0 349.452 3.433 10 10 EGCERN Cc1cc(C(=O)N[C@H]2CCCn3ncnc32)c(C)n1-c1cccc(C)c1 ZINC000175712595 455485754 /nfs/dbraw/zinc/48/57/54/455485754.db2.gz VUWIHVZCLGLINF-SFHVURJKSA-N 0 0 349.438 3.259 10 10 EGCERN O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000191807353 455522079 /nfs/dbraw/zinc/52/20/79/455522079.db2.gz VJKLREGZGRQEQU-INIZCTEOSA-N 0 0 348.805 3.075 10 10 EGCERN Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc(O)c3O)[C@@H](C)CO2)c1 ZINC000185742947 455612074 /nfs/dbraw/zinc/61/20/74/455612074.db2.gz NWOJCPZIQQJOJY-KBXCAEBGSA-N 0 0 341.407 3.317 10 10 EGCERN COc1ccc(OC)c(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 ZINC000292312958 455625747 /nfs/dbraw/zinc/62/57/47/455625747.db2.gz LNIIJYQUJBBTKY-ZROIWOOFSA-N 0 0 335.450 3.458 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc[nH]c1C1CC1 ZINC000284445595 455688369 /nfs/dbraw/zinc/68/83/69/455688369.db2.gz HPSNXYIRGBEGPE-UHFFFAOYSA-N 0 0 339.439 3.001 10 10 EGCERN CCN1C(=O)/C(=C/c2c(C3CC3)nc3sccn23)SC1=S ZINC000271657966 455714429 /nfs/dbraw/zinc/71/44/29/455714429.db2.gz WUKASQUAMMJZQV-YFHOEESVSA-N 0 0 335.479 3.494 10 10 EGCERN C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293511314 455788548 /nfs/dbraw/zinc/78/85/48/455788548.db2.gz CDPUPSYXVWXWQE-IVZQSRNASA-N 0 0 341.835 3.394 10 10 EGCERN C[S@@](=O)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293511320 455789405 /nfs/dbraw/zinc/78/94/05/455789405.db2.gz CDPUPSYXVWXWQE-OYHNWAKOSA-N 0 0 341.835 3.394 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000293850502 455799509 /nfs/dbraw/zinc/79/95/09/455799509.db2.gz HSMPODLDMJQJKJ-UHFFFAOYSA-N 0 0 335.810 3.470 10 10 EGCERN COCC(=O)N1CCc2c1cccc2N[C@@H](C)c1ccccc1O ZINC000186594982 455801928 /nfs/dbraw/zinc/80/19/28/455801928.db2.gz NZFLAGQBRNSNJD-ZDUSSCGKSA-N 0 0 326.396 3.101 10 10 EGCERN COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c(OC)c1 ZINC000294220749 455808564 /nfs/dbraw/zinc/80/85/64/455808564.db2.gz LXESSHUBYMILOD-UHFFFAOYSA-N 0 0 325.767 3.492 10 10 EGCERN COc1c([O-])c(C[NH2+][C@@H]2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000278951696 455854244 /nfs/dbraw/zinc/85/42/44/455854244.db2.gz ZMDHZJGEKOHBBF-CQSZACIVSA-N 0 0 332.331 3.225 10 10 EGCERN C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187766603 455950013 /nfs/dbraw/zinc/95/00/13/455950013.db2.gz MHWMIRFNCQBPHM-GXFFZTMASA-N 0 0 332.350 3.447 10 10 EGCERN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(F)cc1[O-] ZINC000287276636 456065825 /nfs/dbraw/zinc/06/58/25/456065825.db2.gz CRZOYHNLRRBOAP-QANKJYHBSA-N 0 0 337.435 3.140 10 10 EGCERN Cc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)c(Cl)n1 ZINC000288768674 456104263 /nfs/dbraw/zinc/10/42/63/456104263.db2.gz LJWVCYNHKKUVOH-UHFFFAOYSA-N 0 0 344.842 3.487 10 10 EGCERN COc1ccc(C(=O)C[C@H](C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000273249510 456221543 /nfs/dbraw/zinc/22/15/43/456221543.db2.gz RKUZEIAEGCCIEE-AWEZNQCLSA-N 0 0 341.407 3.268 10 10 EGCERN CCOCc1nc([C@H](C)NCc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000290845984 456445160 /nfs/dbraw/zinc/44/51/60/456445160.db2.gz IRUOFZYMNVOCLY-QMMMGPOBSA-N 0 0 346.214 3.469 10 10 EGCERN COc1cc([N+](=O)[O-])c(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1OC ZINC000291754394 456744704 /nfs/dbraw/zinc/74/47/04/456744704.db2.gz AMRIEFWBVRNRTJ-KGLIPLIRSA-N 0 0 328.315 3.094 10 10 EGCERN Cc1cc(C)n(-c2cncc(NCc3ccc(N(C)C)c(F)c3)n2)n1 ZINC000301192115 456819291 /nfs/dbraw/zinc/81/92/91/456819291.db2.gz SIRPHUYQGNCMOR-UHFFFAOYSA-N 0 0 340.406 3.096 10 10 EGCERN COc1cc(O)c(C[NH+]2CCC(c3ccccn3)CC2)cc1OC ZINC000371366940 457886181 /nfs/dbraw/zinc/88/61/81/457886181.db2.gz QPZBSPCLGNDOIK-UHFFFAOYSA-N 0 0 328.412 3.184 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)NCCOC(C)(C)C)ccc21 ZINC000590706418 459190706 /nfs/dbraw/zinc/19/07/06/459190706.db2.gz QZAYFANXNOOCIG-UHFFFAOYSA-N 0 0 346.471 3.449 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CC(OC(C)(C)C)C1 ZINC000489891497 459572941 /nfs/dbraw/zinc/57/29/41/459572941.db2.gz VYINPDUOEPVPHF-UHFFFAOYSA-N 0 0 346.471 3.462 10 10 EGCERN CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527951713 459780670 /nfs/dbraw/zinc/78/06/70/459780670.db2.gz DGHWHHORLMMOAD-YNEHKIRRSA-N 0 0 334.243 3.280 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000528865746 459815422 /nfs/dbraw/zinc/81/54/22/459815422.db2.gz UXQNFVMYJDPLSL-IRXDYDNUSA-N 0 0 329.371 3.350 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528858242 459815600 /nfs/dbraw/zinc/81/56/00/459815600.db2.gz SBRUKJFDXNBRSM-JKSUJKDBSA-N 0 0 329.371 3.089 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000528865745 459815734 /nfs/dbraw/zinc/81/57/34/459815734.db2.gz UXQNFVMYJDPLSL-IAGOWNOFSA-N 0 0 329.371 3.350 10 10 EGCERN C[C@@H]1CCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc2S1 ZINC000665859377 461312580 /nfs/dbraw/zinc/31/25/80/461312580.db2.gz SEADZBUXNCZWTJ-LLVKDONJSA-N 0 0 339.420 3.107 10 10 EGCERN Cc1ccc(C(=O)OCc2cc(F)cc3cccnc32)c(O)c1O ZINC000727004306 574630752 /nfs/dbraw/zinc/63/07/52/574630752.db2.gz RWEKMEWEXZMXPQ-UHFFFAOYSA-N 0 0 327.311 3.451 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000727759347 574688866 /nfs/dbraw/zinc/68/88/66/574688866.db2.gz YLMXMJLEDLEAHZ-LJQANCHMSA-N 0 0 325.456 3.260 10 10 EGCERN O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cccc(Br)c1[O-] ZINC000728782436 574770837 /nfs/dbraw/zinc/77/08/37/574770837.db2.gz ODQKIZUDFOPNFE-ZDUSSCGKSA-N 0 0 349.228 3.423 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCc3ccccc3C2)c1 ZINC000729050506 574809007 /nfs/dbraw/zinc/80/90/07/574809007.db2.gz WGULICARKRHRGC-CJNGLKHVSA-N 0 0 340.423 3.319 10 10 EGCERN C[C@@H](NC(=O)C[C@H](C)n1cccc1)c1ccc(N2CCOCC2)cc1 ZINC000729527210 574868123 /nfs/dbraw/zinc/86/81/23/574868123.db2.gz NDFBCLUPSGABJD-DLBZAZTESA-N 0 0 341.455 3.153 10 10 EGCERN COC[C@@H](O)CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734637187 575535386 /nfs/dbraw/zinc/53/53/86/575535386.db2.gz COBUBGYJUXEIOP-SFHVURJKSA-N 0 0 327.424 3.026 10 10 EGCERN CCOc1ccc(N(CC)CC(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000736308615 575932194 /nfs/dbraw/zinc/93/21/94/575932194.db2.gz LBTVBHGPLGZYGM-UHFFFAOYSA-N 0 0 345.468 3.496 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000740909334 576636116 /nfs/dbraw/zinc/63/61/16/576636116.db2.gz KTAHYZBLTCTOAQ-VQTJNVASSA-N 0 0 333.435 3.418 10 10 EGCERN CO[C@@H](C)CN(C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000741079066 576653453 /nfs/dbraw/zinc/65/34/53/576653453.db2.gz YDXGGANYJNKVRB-INIZCTEOSA-N 0 0 333.476 3.242 10 10 EGCERN COc1ccc(F)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000088409018 1292750856 /nfs/dbraw/zinc/75/08/56/1292750856.db2.gz NLBJRMRJYBCHQX-UHFFFAOYSA-N 0 0 335.354 3.361 10 10 EGCERN O=C(C1CCCCC1)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000120494128 1293323654 /nfs/dbraw/zinc/32/36/54/1293323654.db2.gz NSYHKXFZXPJHOK-UHFFFAOYSA-N 0 0 336.863 3.270 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000151982059 1293948116 /nfs/dbraw/zinc/94/81/16/1293948116.db2.gz DCLXSZHLAGMBCM-OAHLLOKOSA-N 0 0 342.414 3.287 10 10 EGCERN CNc1ncc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000154002113 1294037887 /nfs/dbraw/zinc/03/78/87/1294037887.db2.gz UQQKHRODXZAOAW-UHFFFAOYSA-N 0 0 344.484 3.351 10 10 EGCERN C[C@@H](Cc1ccccc1Br)NC(=O)Cc1ccc(N)cc1 ZINC000162213125 1294310978 /nfs/dbraw/zinc/31/09/78/1294310978.db2.gz KGDMTYXBXLHNFS-LBPRGKRZSA-N 0 0 347.256 3.321 10 10 EGCERN CC1(C)CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000194177062 1295951331 /nfs/dbraw/zinc/95/13/31/1295951331.db2.gz HJVNAINEJNCNDJ-INIZCTEOSA-N 0 0 348.462 3.495 10 10 EGCERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199276 1296269086 /nfs/dbraw/zinc/26/90/86/1296269086.db2.gz VAJIWKPKMQEASU-BLLLJJGKSA-N 0 0 336.391 3.143 10 10 EGCERN CCCN(CC)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000871200967 1296269636 /nfs/dbraw/zinc/26/96/36/1296269636.db2.gz OHHLALJMLOFOPQ-UHFFFAOYSA-N 0 0 325.412 3.180 10 10 EGCERN Cn1cc(C(=O)N2Cc3cccc(O)c3C2)c(C2CCCCC2)n1 ZINC000871201386 1296269729 /nfs/dbraw/zinc/26/97/29/1296269729.db2.gz VBJBGCPCANSHKN-UHFFFAOYSA-N 0 0 325.412 3.329 10 10 EGCERN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202930 1296271426 /nfs/dbraw/zinc/27/14/26/1296271426.db2.gz PKCOFTMXPCBDQO-AWEZNQCLSA-N 0 0 346.427 3.024 10 10 EGCERN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205132 1296271673 /nfs/dbraw/zinc/27/16/73/1296271673.db2.gz ORADIZFFLJVKOL-ZDUSSCGKSA-N 0 0 348.443 3.270 10 10 EGCERN CCCOc1ccc(C[NH2+][C@H](CC(=O)[O-])C2CCOCC2)cc1C ZINC000871879080 1296587898 /nfs/dbraw/zinc/58/78/98/1296587898.db2.gz YHQYQBJFEDZSJV-QGZVFWFLSA-N 0 0 335.444 3.143 10 10 EGCERN Cn1c(-c2ccccc2)cnc1SC[C@H](O)C[C@@](C)(O)C1CC1 ZINC000871967730 1296635210 /nfs/dbraw/zinc/63/52/10/1296635210.db2.gz FGUUQKFELREVLB-CRAIPNDOSA-N 0 0 332.469 3.091 10 10 EGCERN Nc1ccc(Cc2noc(C3C[C@H]4CCCC[C@@H](C3)C4=O)n2)cc1 ZINC000872171568 1296793835 /nfs/dbraw/zinc/79/38/35/1296793835.db2.gz VBKVJMALMBTZPR-YIONKMFJSA-N 0 0 325.412 3.496 10 10 EGCERN COc1ccc(O)c(CNc2ccccc2S(=O)(=O)C(F)F)c1 ZINC000319739601 1297157782 /nfs/dbraw/zinc/15/77/82/1297157782.db2.gz HYSDVTBGCJQDHK-UHFFFAOYSA-N 0 0 343.351 3.009 10 10 EGCERN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])CC1CCOCC1 ZINC000715735785 1298283937 /nfs/dbraw/zinc/28/39/37/1298283937.db2.gz AYKLFEISGSLQQG-UHFFFAOYSA-N 0 0 332.213 3.152 10 10 EGCERN COc1cc(Cl)cc(CN2CC[C@@](OC)(C(F)(F)F)C2)c1O ZINC000895578319 1309410943 /nfs/dbraw/zinc/41/09/43/1309410943.db2.gz YUYCTMBWJYLGOJ-ZDUSSCGKSA-N 0 0 339.741 3.207 10 10 EGCERN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846589 1309554985 /nfs/dbraw/zinc/55/49/85/1309554985.db2.gz QRPGSXJMRRBLFW-FZMZJTMJSA-N 0 0 326.234 3.156 10 10 EGCERN Cc1cnc(F)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000896268897 1309777890 /nfs/dbraw/zinc/77/78/90/1309777890.db2.gz BVJISMFLZYOZEM-HNNXBMFYSA-N 0 0 344.386 3.056 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@@H](c2ccncc2)C2CCCC2)c1 ZINC000896362144 1309823160 /nfs/dbraw/zinc/82/31/60/1309823160.db2.gz QKPNXQDEHVAARD-LJQANCHMSA-N 0 0 340.423 3.386 10 10 EGCERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896853491 1310054108 /nfs/dbraw/zinc/05/41/08/1310054108.db2.gz MQKPCCSYKWQNSF-DIFFPNOSSA-N 0 0 349.452 3.494 10 10 EGCERN COc1ccc(CNC(=O)[C@H](c2ccncc2)C2CCCC2)c(O)c1 ZINC000897631229 1310416715 /nfs/dbraw/zinc/41/67/15/1310416715.db2.gz SUIWOULHMXMGIM-IBGZPJMESA-N 0 0 340.423 3.386 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000897891963 1310509211 /nfs/dbraw/zinc/50/92/11/1310509211.db2.gz AFUVIUQNSXWBEW-XQQFMLRXSA-N 0 0 347.436 3.078 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000899172614 1310965339 /nfs/dbraw/zinc/96/53/39/1310965339.db2.gz DGHCQQQDJFJOHG-UPJWGTAASA-N 0 0 347.436 3.078 10 10 EGCERN CCc1cc(CC(=O)N(C)Cc2ccc(N(CC)CC)cc2)n(C)n1 ZINC000929536994 1328629072 /nfs/dbraw/zinc/62/90/72/1328629072.db2.gz HQEQWUJWVRBPDI-UHFFFAOYSA-N 0 0 342.487 3.030 10 10 EGCERN COc1ccc(OC)c([C@H](C)NC(=O)NCc2cc(C)ccc2O)c1 ZINC000858160194 1328699629 /nfs/dbraw/zinc/69/96/29/1328699629.db2.gz QDPKMAOZXJPWBP-ZDUSSCGKSA-N 0 0 344.411 3.278 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCN2C2CCCC2)c1[O-] ZINC000858285814 1328729018 /nfs/dbraw/zinc/72/90/18/1328729018.db2.gz PNJBWWJASPGUII-CQSZACIVSA-N 0 0 339.823 3.060 10 10 EGCERN Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000858326721 1328736883 /nfs/dbraw/zinc/73/68/83/1328736883.db2.gz BTOPWBQFJHFEDT-WCQYABFASA-N 0 0 344.198 3.010 10 10 EGCERN CCn1ncc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000858443107 1328763512 /nfs/dbraw/zinc/76/35/12/1328763512.db2.gz GEZGKNJEYZCYDH-AWEZNQCLSA-N 0 0 331.439 3.278 10 10 EGCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000913926426 1319179445 /nfs/dbraw/zinc/17/94/45/1319179445.db2.gz CCAMMJAOXIIGQQ-HNNXBMFYSA-N 0 0 333.476 3.146 10 10 EGCERN COc1ccc([C@H](NC(=O)NCc2c(O)cccc2F)C2CC2)cc1 ZINC000913968578 1319196919 /nfs/dbraw/zinc/19/69/19/1319196919.db2.gz RLICSFBYGITXKN-GOSISDBHSA-N 0 0 344.386 3.490 10 10 EGCERN C[C@H](NC(=O)NCCC1CC=CC1)c1ccc(N2CCOCC2)cc1 ZINC000914400249 1319318557 /nfs/dbraw/zinc/31/85/57/1319318557.db2.gz GUUKXKXBFHWDLJ-INIZCTEOSA-N 0 0 343.471 3.240 10 10 EGCERN O=C1N[C@H](c2cc(Br)ccc2O)Nc2cc(F)ccc21 ZINC000917499341 1319822197 /nfs/dbraw/zinc/82/21/97/1319822197.db2.gz DGVZJSBNJFBWEB-CYBMUJFWSA-N 0 0 337.148 3.148 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858913065 1328889924 /nfs/dbraw/zinc/88/99/24/1328889924.db2.gz SJWBICILQTUZKR-HKUYNNGSSA-N 0 0 345.487 3.242 10 10 EGCERN CC(=O)c1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000930716331 1328947548 /nfs/dbraw/zinc/94/75/48/1328947548.db2.gz KSGDFDBYLYQLSB-UHFFFAOYSA-N 0 0 336.435 3.242 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@H]2CCSC3(CCC3)C2)c1 ZINC000918745070 1321989273 /nfs/dbraw/zinc/98/92/73/1321989273.db2.gz BMAPQOSASYWEDA-ZDUSSCGKSA-N 0 0 336.457 3.018 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H]1CCC2(CCC2)O1 ZINC000919082080 1322025884 /nfs/dbraw/zinc/02/58/84/1322025884.db2.gz UBXCGIUTZVATRW-GOSISDBHSA-N 0 0 345.487 3.352 10 10 EGCERN CCOC(=O)[C@H]1c2ccoc2CCN1Cc1ccc(N(C)C)cc1 ZINC000859523592 1329007430 /nfs/dbraw/zinc/00/74/30/1329007430.db2.gz QBGJACYTDOBUQH-GOSISDBHSA-N 0 0 328.412 3.008 10 10 EGCERN O=C(NCCCSc1nccs1)NC1([C@H]2CCCCO2)CC1 ZINC000921447610 1322317222 /nfs/dbraw/zinc/31/72/22/1322317222.db2.gz NUCLRCWBXXBXQM-GFCCVEGCSA-N 0 0 341.502 3.026 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000921993604 1322436146 /nfs/dbraw/zinc/43/61/46/1322436146.db2.gz DWGSEBUUFJQTGS-KBXCAEBGSA-N 0 0 344.386 3.251 10 10 EGCERN Cc1ccc(C(=O)N2Cc3ccccc3N3CCC[C@H]3C2)c(O)c1O ZINC000922603609 1322568258 /nfs/dbraw/zinc/56/82/58/1322568258.db2.gz LEIDQELPBAXVQN-HNNXBMFYSA-N 0 0 338.407 3.031 10 10 EGCERN CCN(CC)c1ccc(CNCc2nc3c(s2)COCC3)cc1F ZINC000922959630 1322662304 /nfs/dbraw/zinc/66/23/04/1322662304.db2.gz ZAVMCJWNAQLQEM-UHFFFAOYSA-N 0 0 349.475 3.491 10 10 EGCERN CC1(C)C[C@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@H]2CC2(C)C)c1 ZINC000923122797 1322696401 /nfs/dbraw/zinc/69/64/01/1322696401.db2.gz STCIQETUGQRLHA-KGLIPLIRSA-N 0 0 330.428 3.039 10 10 EGCERN O=C(CCC1CC1)NCc1cc(NC(=O)CCC2CC2)ccc1O ZINC000923122920 1322696586 /nfs/dbraw/zinc/69/65/86/1322696586.db2.gz QRXIHFREWZVERI-UHFFFAOYSA-N 0 0 330.428 3.327 10 10 EGCERN C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000925786756 1325303036 /nfs/dbraw/zinc/30/30/36/1325303036.db2.gz VVZMWDCBJMAFAS-RGNHYFCHSA-N 0 0 333.657 3.067 10 10 EGCERN Cc1cc(C(F)F)oc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000860696625 1329345643 /nfs/dbraw/zinc/34/56/43/1329345643.db2.gz XZJYHXVUNLCGEV-VIFPVBQESA-N 0 0 325.311 3.298 10 10 EGCERN Cc1nc2c(cccc2CCNC(=O)N(C)Cc2ccccc2O)o1 ZINC000926919443 1327776735 /nfs/dbraw/zinc/77/67/35/1327776735.db2.gz DCHDEGUSGTUULU-UHFFFAOYSA-N 0 0 339.395 3.226 10 10 EGCERN C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927155200 1327896615 /nfs/dbraw/zinc/89/66/15/1327896615.db2.gz GFZFGNSWFPALAY-ZUEVXXBESA-N 0 0 342.395 3.044 10 10 EGCERN O=C(NCc1c(O)cccc1F)NC[C@]1(c2ccccc2)CCCO1 ZINC000927684103 1328105196 /nfs/dbraw/zinc/10/51/96/1328105196.db2.gz ILAOTXWPBVDMSM-IBGZPJMESA-N 0 0 344.386 3.036 10 10 EGCERN Cn1nccc1[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000928364802 1328289092 /nfs/dbraw/zinc/28/90/92/1328289092.db2.gz WGSPRWFNDBCUGY-LBPRGKRZSA-N 0 0 343.408 3.023 10 10 EGCERN Cc1cc(C(=O)N[C@H](c2ncccn2)C2CC2)c(C)n1-c1ccccn1 ZINC000928585598 1328363652 /nfs/dbraw/zinc/36/36/52/1328363652.db2.gz MESYIEIEHMILRH-SFHVURJKSA-N 0 0 347.422 3.160 10 10 EGCERN CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1ccc2cccnc2c1O ZINC000862026456 1329455870 /nfs/dbraw/zinc/45/58/70/1329455870.db2.gz OOORSNOOUYIKDM-CZUORRHYSA-N 0 0 330.428 3.134 10 10 EGCERN CC(C)C[C@@H](C)OCCC(=O)NCc1ccc2cccnc2c1O ZINC000862027484 1329456018 /nfs/dbraw/zinc/45/60/18/1329456018.db2.gz UMYKMEKFYGETCB-CQSZACIVSA-N 0 0 330.428 3.398 10 10 EGCERN C[C@H]1CN(Cc2c(O)cccc2Br)C2(CCC2)CO1 ZINC000862403919 1329483645 /nfs/dbraw/zinc/48/36/45/1329483645.db2.gz XVAKKXVMCDBOAD-NSHDSACASA-N 0 0 326.234 3.298 10 10 EGCERN C[C@H](N1C(=O)CN(Cc2ccccc2O)C1=O)[C@@]12C[C@@H]1CCCC2 ZINC000865320092 1329686106 /nfs/dbraw/zinc/68/61/06/1329686106.db2.gz SXRNKBGXUYSPNG-ZUEVXXBESA-N 0 0 328.412 3.125 10 10 EGCERN Cc1cc(O)c(CNCc2c(Br)cnn2C)c(Cl)c1 ZINC000865680623 1329728821 /nfs/dbraw/zinc/72/88/21/1329728821.db2.gz IECHYKHXIGWELN-UHFFFAOYSA-N 0 0 344.640 3.140 10 10 EGCERN CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000866633265 1330136090 /nfs/dbraw/zinc/13/60/90/1330136090.db2.gz HDRZQSIYEXWBIE-ATZCPNFKSA-N 0 0 334.229 3.494 10 10 EGCERN COCc1sccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000866770405 1330147882 /nfs/dbraw/zinc/14/78/82/1330147882.db2.gz WYYQEMQNKOONAE-UHFFFAOYSA-N 0 0 331.437 3.409 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)OCCC(F)(F)F)C2)cc1 ZINC000867429126 1330200686 /nfs/dbraw/zinc/20/06/86/1330200686.db2.gz WAFSYGKNCIOLAP-LBPRGKRZSA-N 0 0 346.349 3.200 10 10 EGCERN C[C@@H](NC(=O)c1cc(C(F)(F)F)ncn1)c1ccc(N(C)C)cc1 ZINC000867504192 1330206448 /nfs/dbraw/zinc/20/64/48/1330206448.db2.gz FWRLLZKNAGNBHP-SNVBAGLBSA-N 0 0 338.333 3.052 10 10 EGCERN CCOCCCCCC(=O)NCc1cccc(Br)c1O ZINC000867830689 1330222753 /nfs/dbraw/zinc/22/27/53/1330222753.db2.gz FXTPENJQXUECEM-UHFFFAOYSA-N 0 0 344.249 3.368 10 10 EGCERN COc1cccc2c1OCC[C@H]2NC(=O)N[C@@H](C)c1ccccc1O ZINC000868193356 1330261022 /nfs/dbraw/zinc/26/10/22/1330261022.db2.gz MDNKIEKDLYCNFD-SWLSCSKDSA-N 0 0 342.395 3.285 10 10 EGCERN COc1cccc(O[C@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868318744 1330270142 /nfs/dbraw/zinc/27/01/42/1330270142.db2.gz JEBQFFDXWGOHLZ-KGLIPLIRSA-N 0 0 344.411 3.229 10 10 EGCERN C[C@H](NC(=O)NC[C@H]1COC2(CCCCCC2)O1)c1ccccc1O ZINC000868481368 1330284924 /nfs/dbraw/zinc/28/49/24/1330284924.db2.gz LLWJKFBIGUXFTH-GJZGRUSLSA-N 0 0 348.443 3.218 10 10 EGCERN CN1Cc2ccccc2[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000869108005 1330415060 /nfs/dbraw/zinc/41/50/60/1330415060.db2.gz KNTBHVSVDQAHSD-MRXNPFEDSA-N 0 0 345.830 3.032 10 10 EGCERN C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)C(C)(C)C ZINC000869472381 1330506931 /nfs/dbraw/zinc/50/69/31/1330506931.db2.gz FSCMVAOHTVGTTE-NSHDSACASA-N 0 0 346.452 3.477 10 10 EGCERN O=S(=O)(c1ccccc1NCc1c(O)cccc1O)C(F)(F)F ZINC001187717175 1388149429 /nfs/dbraw/zinc/14/94/29/1388149429.db2.gz QYPSGSANOXASCW-UHFFFAOYSA-N 0 0 347.314 3.003 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)NC1([C@H]2CCCO2)CCC1 ZINC001123484005 1372485721 /nfs/dbraw/zinc/48/57/21/1372485721.db2.gz MCBXTIKNRRHKNY-GOSISDBHSA-N 0 0 343.471 3.188 10 10 EGCERN C[C@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 ZINC001124549087 1372710622 /nfs/dbraw/zinc/71/06/22/1372710622.db2.gz BVKIMCGSDPIWSH-APWZRJJASA-N 0 0 330.472 3.450 10 10 EGCERN COc1ccccc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124622362 1372717011 /nfs/dbraw/zinc/71/70/11/1372717011.db2.gz RVZWYICUBXEOOU-UHFFFAOYSA-N 0 0 338.451 3.497 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnn1C1CCC1 ZINC001124622443 1372717470 /nfs/dbraw/zinc/71/74/70/1372717470.db2.gz GJRGJVJSYOWMEH-UHFFFAOYSA-N 0 0 338.455 3.481 10 10 EGCERN CCc1nocc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001125159578 1372757126 /nfs/dbraw/zinc/75/71/26/1372757126.db2.gz CYIHOORBGNRJFE-UHFFFAOYSA-N 0 0 346.342 3.265 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2nn(CC)cc2Cl)cc1 ZINC001125166583 1372757570 /nfs/dbraw/zinc/75/75/70/1372757570.db2.gz LSMOCRXDINXASX-UHFFFAOYSA-N 0 0 334.851 3.333 10 10 EGCERN CC[C@@H]1COCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001126242462 1372951888 /nfs/dbraw/zinc/95/18/88/1372951888.db2.gz RDJCUAJTPDJGQH-GOSISDBHSA-N 0 0 326.440 3.274 10 10 EGCERN CCc1nocc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001126864783 1373042930 /nfs/dbraw/zinc/04/29/30/1373042930.db2.gz ZSCFGDIYRVEAEB-UHFFFAOYSA-N 0 0 333.351 3.199 10 10 EGCERN COc1ncc(/C=C/C(=O)N2CCCc3c(Cl)ccc(C)c32)cn1 ZINC001129637006 1373405524 /nfs/dbraw/zinc/40/55/24/1373405524.db2.gz QERWHNUJEPQOLK-SOFGYWHQSA-N 0 0 343.814 3.440 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)c(OC)c1 ZINC001132031895 1375107612 /nfs/dbraw/zinc/10/76/12/1375107612.db2.gz AYKXPLVLYHLMKL-HZPDHXFCSA-N 0 0 346.471 3.035 10 10 EGCERN O=C(NCc1c(O)cccc1F)NCC(F)(F)c1cccc(F)c1 ZINC001230749149 1376138803 /nfs/dbraw/zinc/13/88/03/1376138803.db2.gz PCEPIKHBGNXFEQ-UHFFFAOYSA-N 0 0 342.292 3.262 10 10 EGCERN Cc1cc([C@H]2CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001135252672 1377002956 /nfs/dbraw/zinc/00/29/56/1377002956.db2.gz BLQHTTWCRALGLC-CQSZACIVSA-N 0 0 327.344 3.123 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2nonc2c1 ZINC001135800840 1377214292 /nfs/dbraw/zinc/21/42/92/1377214292.db2.gz RVWUMZJYXCCNIS-UHFFFAOYSA-N 0 0 336.395 3.095 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CO)c(F)c1 ZINC001136334816 1377379057 /nfs/dbraw/zinc/37/90/57/1377379057.db2.gz GNIHRINECZWQIQ-UHFFFAOYSA-N 0 0 344.430 3.435 10 10 EGCERN CO[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001136367788 1377383574 /nfs/dbraw/zinc/38/35/74/1377383574.db2.gz CFRFSYAXMXHIHA-HNNXBMFYSA-N 0 0 343.404 3.430 10 10 EGCERN Cc1ccc(F)c(N)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001136436699 1377393015 /nfs/dbraw/zinc/39/30/15/1377393015.db2.gz GSADOKPNFHKUPG-UHFFFAOYSA-N 0 0 327.403 3.029 10 10 EGCERN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1-n1ccnc1 ZINC001136624935 1377410527 /nfs/dbraw/zinc/41/05/27/1377410527.db2.gz QJFGPEITDYYCOR-CLTKARDFSA-N 0 0 335.363 3.244 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)COc1ccc(F)c(F)c1 ZINC001137346550 1377527025 /nfs/dbraw/zinc/52/70/25/1377527025.db2.gz BMCHOLACCOJWFB-UHFFFAOYSA-N 0 0 335.350 3.488 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C3CCC=CCC3)CC2)cc1 ZINC001137658797 1377584146 /nfs/dbraw/zinc/58/41/46/1377584146.db2.gz WKSNTMBIOBWMOP-UHFFFAOYSA-N 0 0 328.456 3.480 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc(CC)cc1 ZINC001140198814 1378030668 /nfs/dbraw/zinc/03/06/68/1378030668.db2.gz ULBZRAKGTQUYMV-UHFFFAOYSA-N 0 0 334.412 3.136 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CO)c(C)n1-c1ccccc1C ZINC001140756742 1378131156 /nfs/dbraw/zinc/13/11/56/1378131156.db2.gz QZJMWCOCKXUBFQ-SJLPKXTDSA-N 0 0 326.440 3.293 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2c(Cl)cc(F)cc2C1 ZINC001141588562 1378347069 /nfs/dbraw/zinc/34/70/69/1378347069.db2.gz XGNUCOWOIDEGPB-DUXPYHPUSA-N 0 0 347.773 3.488 10 10 EGCERN COc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ccc1C ZINC001142229652 1378422741 /nfs/dbraw/zinc/42/27/41/1378422741.db2.gz PDKLTGWVMYCLGB-UHFFFAOYSA-N 0 0 326.356 3.096 10 10 EGCERN O=C(Nc1ccc2[nH]cnc2c1)c1cc2cc(O)c(O)cc2s1 ZINC001142428716 1378442231 /nfs/dbraw/zinc/44/22/31/1378442231.db2.gz YXONNPSIDQRJMH-UHFFFAOYSA-N 0 0 325.349 3.441 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC001146198628 1378793577 /nfs/dbraw/zinc/79/35/77/1378793577.db2.gz YILKYFYCNDPGKQ-UHFFFAOYSA-N 0 0 348.450 3.106 10 10 EGCERN Cc1cnn(-c2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2)c1 ZINC001146232508 1378799785 /nfs/dbraw/zinc/79/97/85/1378799785.db2.gz MKPUVLXVVGMIKS-UHFFFAOYSA-N 0 0 341.798 3.470 10 10 EGCERN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001147218294 1378989517 /nfs/dbraw/zinc/98/95/17/1378989517.db2.gz OGWKOSGKEZULDJ-ZMZPIMSZSA-N 0 0 349.814 3.186 10 10 EGCERN C[C@@H](NC(=O)Cc1ccc2c(c1)OC(F)(F)O2)c1ccccc1O ZINC001151886012 1379810776 /nfs/dbraw/zinc/81/07/76/1379810776.db2.gz QSEDUVSSUSNREW-SNVBAGLBSA-N 0 0 335.306 3.134 10 10 EGCERN Cc1cc(C(=O)NCCc2cc[nH]n2)c(C)n1-c1ccc(Cl)cc1 ZINC001153780111 1380128256 /nfs/dbraw/zinc/12/82/56/1380128256.db2.gz AFTPCWHAYDJXCO-UHFFFAOYSA-N 0 0 342.830 3.443 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)/C=C\[C@H]1COC(C)(C)O1 ZINC001155704892 1380485059 /nfs/dbraw/zinc/48/50/59/1380485059.db2.gz RYHRBPWZWPCXEY-SNGWPZLWSA-N 0 0 333.428 3.229 10 10 EGCERN CCn1cc(Cl)c(C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001157051283 1380762012 /nfs/dbraw/zinc/76/20/12/1380762012.db2.gz PYDNSUVDUJWKFI-UHFFFAOYSA-N 0 0 329.787 3.345 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COCc1ccc(C)cc1 ZINC001157102577 1380775889 /nfs/dbraw/zinc/77/58/89/1380775889.db2.gz MFPSHZOQKQCMEF-UHFFFAOYSA-N 0 0 334.412 3.019 10 10 EGCERN Cc1cc(C(=O)NCc2cnoc2C)c(C)n1-c1ccc(F)cc1 ZINC001157139275 1380784852 /nfs/dbraw/zinc/78/48/52/1380784852.db2.gz LQDQTIMXSUIAFT-UHFFFAOYSA-N 0 0 327.359 3.460 10 10 EGCERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cccc(CO)c1 ZINC001160562992 1382143493 /nfs/dbraw/zinc/14/34/93/1382143493.db2.gz KYXPECDKGWPPCS-UHFFFAOYSA-N 0 0 344.374 3.141 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cc2ccccc2c(Cl)n1 ZINC001162279143 1382719277 /nfs/dbraw/zinc/71/92/77/1382719277.db2.gz SAWAWHJVDDQEHO-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN O=C(CCOc1ccc(F)cc1)NCc1ccc2cccnc2c1O ZINC001162607332 1382807215 /nfs/dbraw/zinc/80/72/15/1382807215.db2.gz NWSDGWHMIMVQNS-UHFFFAOYSA-N 0 0 340.354 3.165 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1c[nH]c2cccc(F)c12 ZINC001162612477 1382809513 /nfs/dbraw/zinc/80/95/13/1382809513.db2.gz JXHWBULSMDWUMM-UHFFFAOYSA-N 0 0 335.338 3.491 10 10 EGCERN CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001163770056 1383120312 /nfs/dbraw/zinc/12/03/12/1383120312.db2.gz UTGNTOFDUWFULZ-AEFFLSMTSA-N 0 0 326.352 3.415 10 10 EGCERN Cn1cc(CSc2ncc(-c3ccccc3)n2C)c([N+](=O)[O-])n1 ZINC001165275057 1383264132 /nfs/dbraw/zinc/26/41/32/1383264132.db2.gz IGKCZDVCJHZXNH-UHFFFAOYSA-N 0 0 329.385 3.021 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(F)cc1N ZINC001299478534 1383539102 /nfs/dbraw/zinc/53/91/02/1383539102.db2.gz OTUVZGUHIOKDIY-ZDUSSCGKSA-N 0 0 329.419 3.143 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CSC(c2ccccc2)=N1 ZINC001300396597 1383662278 /nfs/dbraw/zinc/66/22/78/1383662278.db2.gz ZLWKNNSECYOANO-AWEZNQCLSA-N 0 0 346.839 3.224 10 10 EGCERN CCOc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1OC ZINC001300398955 1383662366 /nfs/dbraw/zinc/66/23/66/1383662366.db2.gz IUQUQLQPFYYUCT-UHFFFAOYSA-N 0 0 335.787 3.383 10 10 EGCERN Cc1cc(C(=O)NC[C@@H]2CCC(C)(C)CO2)c(C)n1-c1ccccn1 ZINC001303091564 1383782181 /nfs/dbraw/zinc/78/21/81/1383782181.db2.gz DIVOJJVIFVKBNI-INIZCTEOSA-N 0 0 341.455 3.424 10 10 EGCERN COC(=O)[C@@H]1CCN1C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001304093720 1383829597 /nfs/dbraw/zinc/82/95/97/1383829597.db2.gz FVOPHJILYJBQLC-SFHVURJKSA-N 0 0 340.423 3.098 10 10 EGCERN COC(OC)[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307136801 1383943731 /nfs/dbraw/zinc/94/37/31/1383943731.db2.gz JRLFVQKYZHWXRF-LBPRGKRZSA-N 0 0 344.367 3.245 10 10 EGCERN COc1cc(C(F)(F)F)nc(NCc2cccc(Cl)c2O)n1 ZINC001307230596 1383961905 /nfs/dbraw/zinc/96/19/05/1383961905.db2.gz YPPLQZUMFWLKLM-UHFFFAOYSA-N 0 0 333.697 3.475 10 10 EGCERN CC[C@@H](CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C)OC ZINC001312809420 1384373244 /nfs/dbraw/zinc/37/32/44/1384373244.db2.gz CEEMVQCDXNWXEW-SFHVURJKSA-N 0 0 329.444 3.318 10 10 EGCERN C[Si](C)(C)c1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC001312935358 1384380707 /nfs/dbraw/zinc/38/07/07/1384380707.db2.gz BCOMOKBMPLSYLT-UHFFFAOYSA-N 0 0 346.478 3.076 10 10 EGCERN Cc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001313155182 1384399978 /nfs/dbraw/zinc/39/99/78/1384399978.db2.gz IWMHFDZYXYZBMA-LBPRGKRZSA-N 0 0 329.356 3.169 10 10 EGCERN COc1ccc2c(c1)C[C@H](C(C)C)CN2CC(=O)N(C)CC1CC1 ZINC001171352316 1384499905 /nfs/dbraw/zinc/49/99/05/1384499905.db2.gz DJUWBORJFYMEMS-KRWDZBQOSA-N 0 0 330.472 3.198 10 10 EGCERN O=C(NCc1cccc(O)c1O)c1cc(Cl)c(F)cc1Cl ZINC001176576617 1385630435 /nfs/dbraw/zinc/63/04/35/1385630435.db2.gz PZLMLGUQIHDVSQ-UHFFFAOYSA-N 0 0 330.142 3.474 10 10 EGCERN CC(C)Oc1ccc(Cl)cc1C(=O)NCc1cc(O)ccc1O ZINC001176748624 1385680991 /nfs/dbraw/zinc/68/09/91/1385680991.db2.gz XZFQARNKRJHWRF-UHFFFAOYSA-N 0 0 335.787 3.468 10 10 EGCERN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O ZINC001176747841 1385681304 /nfs/dbraw/zinc/68/13/04/1385681304.db2.gz CMYYWQIIRQZLKP-QGZVFWFLSA-N 0 0 349.814 3.471 10 10 EGCERN C[C@H](CNc1ccccc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001182919795 1387246658 /nfs/dbraw/zinc/24/66/58/1387246658.db2.gz QJTOSNXJZVZIKA-GFCCVEGCSA-N 0 0 325.372 3.079 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCOC[C@H]1C ZINC001329987772 1389280494 /nfs/dbraw/zinc/28/04/94/1389280494.db2.gz ZUAIKFWXRHTXGD-FZKQIMNGSA-N 0 0 340.423 3.061 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCC[C@H]2CCCOC2)cc1 ZINC001331272645 1389679276 /nfs/dbraw/zinc/67/92/76/1389679276.db2.gz RLGUSQKVKQHOHT-QGZVFWFLSA-N 0 0 333.476 3.149 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@H]2CCOCC23CCCC3)cc1F ZINC001346059216 1390904087 /nfs/dbraw/zinc/90/40/87/1390904087.db2.gz CULKIHWVUQHDJP-KRWDZBQOSA-N 0 0 349.450 3.040 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CCCO)c2ccccc2)c1 ZINC001346694220 1390970903 /nfs/dbraw/zinc/97/09/03/1390970903.db2.gz BAJDUODVZOUXNY-RHSMWYFYSA-N 0 0 343.423 3.134 10 10 EGCERN Cc1cc(-c2csc(NC(=O)CO)n2)c(C)n1-c1ccc(C)cc1 ZINC001348292007 1391200746 /nfs/dbraw/zinc/20/07/46/1391200746.db2.gz DEZUDQOIEVMHNY-UHFFFAOYSA-N 0 0 341.436 3.457 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)c1c(Cl)ccnc1F ZINC001348516393 1391231153 /nfs/dbraw/zinc/23/11/53/1391231153.db2.gz GGWDYCROVJJZFV-UHFFFAOYSA-N 0 0 333.794 3.404 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001350865467 1391547036 /nfs/dbraw/zinc/54/70/36/1391547036.db2.gz ZNFFKBRMLJWNKD-UHFFFAOYSA-N 0 0 342.399 3.074 10 10 EGCERN CCCc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)no1 ZINC001351161964 1391606136 /nfs/dbraw/zinc/60/61/36/1391606136.db2.gz AAFIJTFSZLFWDN-UHFFFAOYSA-N 0 0 327.428 3.500 10 10 EGCERN COCc1cncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001352627341 1391825960 /nfs/dbraw/zinc/82/59/60/1391825960.db2.gz RUBZHALGBBRLKL-UHFFFAOYSA-N 0 0 339.439 3.100 10 10 EGCERN CC(=O)[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1(C)C ZINC001353912417 1392107841 /nfs/dbraw/zinc/10/78/41/1392107841.db2.gz ZENIEPSVQDQZOK-RBUKOAKNSA-N 0 0 342.483 3.497 10 10 EGCERN CCC[C@H](OC)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354578340 1392153984 /nfs/dbraw/zinc/15/39/84/1392153984.db2.gz WLIUVTPXCKLGDQ-KRWDZBQOSA-N 0 0 337.375 3.216 10 10 EGCERN C[C@H]1C[C@H]1n1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001726485925 1427063671 /nfs/dbraw/zinc/06/36/71/1427063671.db2.gz JEYZYVXMDVHAHA-XJKSGUPXSA-N 0 0 335.411 3.263 10 10 EGCERN CCN(CC)c1nnc(C2CC2)n1Cc1ccc(N(C)C)cc1C ZINC001746107974 1439857308 /nfs/dbraw/zinc/85/73/08/1439857308.db2.gz VDZUTMVRVDNKGT-UHFFFAOYSA-N 0 0 327.476 3.424 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCCCCCO ZINC001750611007 1440107295 /nfs/dbraw/zinc/10/72/95/1440107295.db2.gz IDVWOSLFZAIWIG-UHFFFAOYSA-N 0 0 346.475 3.296 10 10 EGCERN CCc1nnc(N2CCC=C(C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001763028444 1441381554 /nfs/dbraw/zinc/38/15/54/1441381554.db2.gz NAZKAQNJENELHB-UHFFFAOYSA-N 0 0 343.450 3.250 10 10 EGCERN CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000100529780 219101203 /nfs/dbraw/zinc/10/12/03/219101203.db2.gz DGSFFYVACCJJGR-PDGQHHTCSA-N 0 0 328.375 3.428 10 10 EGCERN CC1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C1 ZINC000039563642 213240575 /nfs/dbraw/zinc/24/05/75/213240575.db2.gz PWLQBSICUPNNSI-GOSISDBHSA-N 0 0 343.452 3.264 10 10 EGCERN CC(C)Nc1cc(NCCO)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020322285 212119456 /nfs/dbraw/zinc/11/94/56/212119456.db2.gz LWLSKIWHXCWFAK-UHFFFAOYSA-N 0 0 337.379 3.264 10 10 EGCERN O=C(c1ccc(I)cc1)c1cccc2c1NCC2 ZINC000089210637 284662124 /nfs/dbraw/zinc/66/21/24/284662124.db2.gz RVEHIFUGWFNBOQ-UHFFFAOYSA-N 0 0 349.171 3.490 10 10 EGCERN CC(=O)N1C[C@H](C)CN(C(=O)/C=C\c2cccnc2)c2ccccc21 ZINC000098056125 277018783 /nfs/dbraw/zinc/01/87/83/277018783.db2.gz PANVGWZYGSZEDH-KVPUOBJLSA-N 0 0 335.407 3.131 10 10 EGCERN COc1cccc(CNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)c1O ZINC000528858214 313194364 /nfs/dbraw/zinc/19/43/64/313194364.db2.gz AXCSJMFUHOEEAM-HNNXBMFYSA-N 0 0 349.333 3.117 10 10 EGCERN Cc1cncc(/C=C/C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189820767 455243731 /nfs/dbraw/zinc/24/37/31/455243731.db2.gz KKNFSXVZRUHYQF-VOTSOKGWSA-N 0 0 334.419 3.498 10 10 EGCERN CC(=O)N1CCN(C(=S)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000000190374 452531657 /nfs/dbraw/zinc/53/16/57/452531657.db2.gz NERYHWNBPYLNQU-UHFFFAOYSA-N 0 0 348.855 3.440 10 10 EGCERN CN1CCCc2cc(CNC(=O)NCc3ccc(Cl)cn3)ccc21 ZINC000181088857 455285506 /nfs/dbraw/zinc/28/55/06/455285506.db2.gz DHVZLPSBOXCGRA-UHFFFAOYSA-N 0 0 344.846 3.117 10 10 EGCERN COc1ccc(N2CCN(C(=S)Cc3ccccc3)CC2)cc1 ZINC000003348931 452759907 /nfs/dbraw/zinc/75/99/07/452759907.db2.gz PSJUHIBHLNFPCZ-UHFFFAOYSA-N 0 0 326.465 3.387 10 10 EGCERN COc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 ZINC000013940534 453493601 /nfs/dbraw/zinc/49/36/01/453493601.db2.gz UKRKFKNNCLWIGR-BOPFTXTBSA-N 0 0 337.335 3.410 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cc(C)on2)cc1F ZINC000066927106 453886098 /nfs/dbraw/zinc/88/60/98/453886098.db2.gz QSEVQLJAKLXVKJ-UHFFFAOYSA-N 0 0 348.422 3.310 10 10 EGCERN COc1ccc(N2CCN(C(=O)Cc3ccc(C)s3)CC2)cc1F ZINC000084814471 454012418 /nfs/dbraw/zinc/01/24/18/454012418.db2.gz QSEXYQIVTYLESZ-UHFFFAOYSA-N 0 0 348.443 3.096 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NCc1csc(C(C)(C)C)n1 ZINC000069557656 454118747 /nfs/dbraw/zinc/11/87/47/454118747.db2.gz CRDJDIZYRGXMEL-UHFFFAOYSA-N 0 0 333.457 3.488 10 10 EGCERN CC(C)[S@@](=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000071921241 454258754 /nfs/dbraw/zinc/25/87/54/454258754.db2.gz IWTHGPUTVQSZJA-DEOSSOPVSA-N 0 0 344.480 3.199 10 10 EGCERN CC1=NN(c2ccccc2)C(=O)/C1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000101972802 454490373 /nfs/dbraw/zinc/49/03/73/454490373.db2.gz DTUQPQMESIFRFW-NXVVXOECSA-N 0 0 337.766 3.468 10 10 EGCERN CCOc1ccc(O)c(CN2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000092539750 454582925 /nfs/dbraw/zinc/58/29/25/454582925.db2.gz LBBMUMQHWRLVER-UHFFFAOYSA-N 0 0 346.471 3.015 10 10 EGCERN CCOc1ccc(O)c(CN2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000093458020 454716027 /nfs/dbraw/zinc/71/60/27/454716027.db2.gz PJPBGVZGTQDMBN-IBGZPJMESA-N 0 0 329.396 3.070 10 10 EGCERN Cc1nc(C[C@@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)no1 ZINC000191305168 455476022 /nfs/dbraw/zinc/47/60/22/455476022.db2.gz YTQIOBOBDZCXTR-NSHDSACASA-N 0 0 339.798 3.331 10 10 EGCERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(N2CCCCC2)cc1 ZINC000164627574 454886487 /nfs/dbraw/zinc/88/64/87/454886487.db2.gz CWBZGWFQRQOEPS-CRAIPNDOSA-N 0 0 325.460 3.454 10 10 EGCERN Cc1ccc(-c2nc(CCNC(=O)Cc3ccc(N)cc3)co2)cc1 ZINC000154889848 454940646 /nfs/dbraw/zinc/94/06/46/454940646.db2.gz URBYEWLWYYLPOE-UHFFFAOYSA-N 0 0 335.407 3.134 10 10 EGCERN CCc1csc([C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000179497568 455052676 /nfs/dbraw/zinc/05/26/76/455052676.db2.gz UYEIFSYSOUGSRQ-LBPRGKRZSA-N 0 0 346.452 3.445 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3sccc3SC)CC2)cc1 ZINC000264333602 455196708 /nfs/dbraw/zinc/19/67/08/455196708.db2.gz BFKDWRIUTJAXPL-UHFFFAOYSA-N 0 0 348.493 3.441 10 10 EGCERN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCn3nc(COC)nc32)cc1 ZINC000246907576 455535673 /nfs/dbraw/zinc/53/56/73/455535673.db2.gz FNGJWDXVPZZELA-PBHICJAKSA-N 0 0 343.475 3.066 10 10 EGCERN CC(C)(C)C[C@@H](O)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000292316552 455626667 /nfs/dbraw/zinc/62/66/67/455626667.db2.gz WLMZDBSAMRJLEM-IRXDYDNUSA-N 0 0 349.471 3.087 10 10 EGCERN CC(C)c1nnc(NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000268437833 455681807 /nfs/dbraw/zinc/68/18/07/455681807.db2.gz GGEWKVJMCOTADW-UHFFFAOYSA-N 0 0 346.500 3.482 10 10 EGCERN C[S@](=O)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293511322 455789351 /nfs/dbraw/zinc/78/93/51/455789351.db2.gz CDPUPSYXVWXWQE-QRQCRPRQSA-N 0 0 341.835 3.394 10 10 EGCERN CC(C)OCCN1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293739985 455796237 /nfs/dbraw/zinc/79/62/37/455796237.db2.gz XDCCUOBZVRRMHX-UHFFFAOYSA-N 0 0 344.858 3.164 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C2CC2)nc1 ZINC000294433232 455815813 /nfs/dbraw/zinc/81/58/13/455815813.db2.gz LCIMQETZMXFLLG-UHFFFAOYSA-N 0 0 338.455 3.471 10 10 EGCERN COc1cc(N(C)Cc2csc(Cl)n2)cc(OC)c1OC ZINC000294913160 455831908 /nfs/dbraw/zinc/83/19/08/455831908.db2.gz HYRQGZBEGDZPSL-UHFFFAOYSA-N 0 0 328.821 3.459 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1ccnn1CC(F)(F)F ZINC000295379059 455847617 /nfs/dbraw/zinc/84/76/17/455847617.db2.gz XMIQDHZEUCKTSU-UHFFFAOYSA-N 0 0 341.333 3.203 10 10 EGCERN CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187777313 455951193 /nfs/dbraw/zinc/95/11/93/455951193.db2.gz RSAPOZOUMYZCAR-GHMZBOCLSA-N 0 0 336.386 3.051 10 10 EGCERN CCOC(=O)CC[C@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000270462869 455961071 /nfs/dbraw/zinc/96/10/71/455961071.db2.gz ARKCUJMDQLVJRW-HNNXBMFYSA-N 0 0 349.475 3.016 10 10 EGCERN CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000286222812 456003358 /nfs/dbraw/zinc/00/33/58/456003358.db2.gz SMDSSULZTDWINL-MSOLQXFVSA-N 0 0 344.430 3.272 10 10 EGCERN COC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000273347187 456224092 /nfs/dbraw/zinc/22/40/92/456224092.db2.gz BAYDSGFWXFYNJK-CXAGYDPISA-N 0 0 329.396 3.217 10 10 EGCERN COc1cccc(N=Nc2c(=O)[nH]n3c2[nH]c2c(c3=O)CCCC2)c1 ZINC000334159049 456308858 /nfs/dbraw/zinc/30/88/58/456308858.db2.gz JCVAGZLMOZTQMN-UHFFFAOYSA-N 0 0 339.355 3.031 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1cc(C(=O)OC)co1 ZINC000282512439 456537753 /nfs/dbraw/zinc/53/77/53/456537753.db2.gz OSPGOXRSTUETHN-UHFFFAOYSA-N 0 0 331.368 3.214 10 10 EGCERN CC[C@@H]1CCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000291656292 456710072 /nfs/dbraw/zinc/71/00/72/456710072.db2.gz OGHPZJYEWYLAHW-OFQRWUPVSA-N 0 0 349.450 3.133 10 10 EGCERN CC(C)Oc1ccc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)cc1 ZINC000430531911 458457914 /nfs/dbraw/zinc/45/79/14/458457914.db2.gz PKSYYSLNVZMTGI-UHFFFAOYSA-N 0 0 338.411 3.479 10 10 EGCERN Cc1nnc2n1[C@H](c1ccccc1O)N=C1Oc3ccccc3C=C21 ZINC000584655473 459779569 /nfs/dbraw/zinc/77/95/69/459779569.db2.gz MLFUHWUQVQPQDU-QGZVFWFLSA-N 0 0 330.347 3.184 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000528277021 459801236 /nfs/dbraw/zinc/80/12/36/459801236.db2.gz BBRVQRQTUDQZLY-WKPIXPDZSA-N 0 0 332.425 3.379 10 10 EGCERN COCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCCCC1 ZINC000622817735 460323027 /nfs/dbraw/zinc/32/30/27/460323027.db2.gz OCIZVMLHSZLFHF-UHFFFAOYSA-N 0 0 332.444 3.075 10 10 EGCERN CC1(C)CN(C(=O)c2ccnc3c2CC(=O)N3)c2ccc(Cl)cc21 ZINC000634149774 461443901 /nfs/dbraw/zinc/44/39/01/461443901.db2.gz MSLQZCATNSTRIT-UHFFFAOYSA-N 0 0 341.798 3.168 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000378388217 547819107 /nfs/dbraw/zinc/81/91/07/547819107.db2.gz MWZREBMVOQMDTO-PKOBYXMFSA-N 0 0 340.423 3.311 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cc1 ZINC000729700298 574880110 /nfs/dbraw/zinc/88/01/10/574880110.db2.gz LLSCYHIMTOUJQF-GOSISDBHSA-N 0 0 342.439 3.364 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000730595979 575004467 /nfs/dbraw/zinc/00/44/67/575004467.db2.gz FGUUKYIKJDONQV-QGZVFWFLSA-N 0 0 335.517 3.018 10 10 EGCERN Cc1cc(C(=O)CN(C)Cc2cc[nH]n2)c(C)n1-c1cccc(F)c1 ZINC000733997569 575420584 /nfs/dbraw/zinc/42/05/84/575420584.db2.gz RCVUUWDMPDRURB-UHFFFAOYSA-N 0 0 340.402 3.271 10 10 EGCERN CCN(C)C(=O)CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734487831 575493434 /nfs/dbraw/zinc/49/34/34/575493434.db2.gz ZREBDVBLFHMHDN-UHFFFAOYSA-N 0 0 338.451 3.497 10 10 EGCERN CCOC[C@@H](O)CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734638784 575535355 /nfs/dbraw/zinc/53/53/55/575535355.db2.gz JSRCHGSEKDUQAK-IBGZPJMESA-N 0 0 341.451 3.416 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000734845780 575559927 /nfs/dbraw/zinc/55/99/27/575559927.db2.gz GEDVFGOAIKFAEK-UHFFFAOYSA-N 0 0 338.234 3.319 10 10 EGCERN COc1ccc2ccc(O)c(CN3CCOC[C@H]3C(F)(F)F)c2c1 ZINC000739871599 576512321 /nfs/dbraw/zinc/51/23/21/576512321.db2.gz WKXXAIHUEVTVLX-INIZCTEOSA-N 0 0 341.329 3.317 10 10 EGCERN CC(C)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000740037779 576537079 /nfs/dbraw/zinc/53/70/79/576537079.db2.gz GLQAUEFKNRETFI-CVEARBPZSA-N 0 0 333.476 3.176 10 10 EGCERN COCc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)o1 ZINC000742476190 576786445 /nfs/dbraw/zinc/78/64/45/576786445.db2.gz MRDQRGCFFPUTCE-UHFFFAOYSA-N 0 0 328.412 3.346 10 10 EGCERN CC(=O)Nc1cccc(NC=C2C(C)=NN(c3ccccc3)C2=O)c1 ZINC000101534469 1292967676 /nfs/dbraw/zinc/96/76/76/1292967676.db2.gz RZABAWCPNSBBQB-LDADJPATSA-N 0 0 334.379 3.364 10 10 EGCERN COc1ccc(O)c(CNC(=O)NCc2oc3ccccc3c2C)c1 ZINC000115829609 1293195739 /nfs/dbraw/zinc/19/57/39/1293195739.db2.gz BCRRLAAQLHDOJX-UHFFFAOYSA-N 0 0 340.379 3.455 10 10 EGCERN CCOc1ccc(O)c(CNc2cc(C(=O)N(C)C)ccc2C)c1 ZINC000119280007 1293263024 /nfs/dbraw/zinc/26/30/24/1293263024.db2.gz DPZAPLHUAYNRDF-UHFFFAOYSA-N 0 0 328.412 3.413 10 10 EGCERN COc1cc(N(C)Cc2nnc(C(C)(C)C)o2)cc(OC)c1OC ZINC000125789860 1293516771 /nfs/dbraw/zinc/51/67/71/1293516771.db2.gz GOAVJCYKRHCOTE-UHFFFAOYSA-N 0 0 335.404 3.029 10 10 EGCERN CCOc1cccc(CCNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000135144090 1293788707 /nfs/dbraw/zinc/78/87/07/1293788707.db2.gz RDBFHQZEQYFOSM-UHFFFAOYSA-N 0 0 341.455 3.193 10 10 EGCERN C[C@H](CO)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000154960341 1294078212 /nfs/dbraw/zinc/07/82/12/1294078212.db2.gz CCNJDGYZKMRXNV-GDBMZVCRSA-N 0 0 332.469 3.450 10 10 EGCERN CC(C)N(CCC(=O)N1Cc2cccc(O)c2C1)C(=O)OC(C)(C)C ZINC000871201381 1296270055 /nfs/dbraw/zinc/27/00/55/1296270055.db2.gz USWHLRQGFDRRDW-UHFFFAOYSA-N 0 0 348.443 3.270 10 10 EGCERN O=C(N1Cc2cccc(O)c2C1)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC000871204554 1296271357 /nfs/dbraw/zinc/27/13/57/1296271357.db2.gz GIEQVGACLFCOAK-UHFFFAOYSA-N 0 0 341.794 3.189 10 10 EGCERN COc1cccc(C(=O)CCCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871205162 1296271432 /nfs/dbraw/zinc/27/14/32/1296271432.db2.gz PRVVEODXMBEDCC-UHFFFAOYSA-N 0 0 339.391 3.296 10 10 EGCERN COc1ccc(N2CCN(c3nc4ccc(N)cc4s3)CC2)cc1 ZINC000324771976 1297216219 /nfs/dbraw/zinc/21/62/19/1297216219.db2.gz DVPYJZFVVSRINC-UHFFFAOYSA-N 0 0 340.452 3.214 10 10 EGCERN CCCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715818176 1298289164 /nfs/dbraw/zinc/28/91/64/1298289164.db2.gz MTHOGWFMFCWMIF-GFCCVEGCSA-N 0 0 332.213 3.295 10 10 EGCERN CC(=O)c1cncc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000891686804 1305134885 /nfs/dbraw/zinc/13/48/85/1305134885.db2.gz NDLGWEPEVMZSET-CQSZACIVSA-N 0 0 339.439 3.020 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000895461856 1309350757 /nfs/dbraw/zinc/35/07/57/1309350757.db2.gz PNVPWHZDZKNANP-ONGXEEELSA-N 0 0 346.265 3.479 10 10 EGCERN COc1cc(C)cc(CNCc2ncc(Br)s2)c1O ZINC000895465354 1309351461 /nfs/dbraw/zinc/35/14/61/1309351461.db2.gz BMZUGHSKCCURPM-UHFFFAOYSA-N 0 0 343.246 3.218 10 10 EGCERN CCOc1cccc(CN2CCn3cnc(C(F)(F)F)c3C2)c1O ZINC000895561658 1309402826 /nfs/dbraw/zinc/40/28/26/1309402826.db2.gz DNWBVTAVRGNVFO-UHFFFAOYSA-N 0 0 341.333 3.022 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000895749107 1309503296 /nfs/dbraw/zinc/50/32/96/1309503296.db2.gz MGZOOHIERPSEFC-GFCCVEGCSA-N 0 0 327.758 3.017 10 10 EGCERN CN(Cc1ccccc1O)C(=O)C[C@H]1CCc2sccc2C1=O ZINC000895755164 1309505938 /nfs/dbraw/zinc/50/59/38/1309505938.db2.gz DNUPIVYFMAIBQZ-GFCCVEGCSA-N 0 0 329.421 3.248 10 10 EGCERN C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc(F)c3[O-])O2)CO1 ZINC000895823280 1309537989 /nfs/dbraw/zinc/53/79/89/1309537989.db2.gz ZCTPGDCUWGKHDL-ZXIHIIQKSA-N 0 0 329.799 3.001 10 10 EGCERN C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)cc(F)c3[O-])O2)CO1 ZINC000895823279 1309538431 /nfs/dbraw/zinc/53/84/31/1309538431.db2.gz ZCTPGDCUWGKHDL-HICWGWBUSA-N 0 0 329.799 3.001 10 10 EGCERN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846590 1309555893 /nfs/dbraw/zinc/55/58/93/1309555893.db2.gz QRPGSXJMRRBLFW-RISCZKNCSA-N 0 0 326.234 3.156 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3cncc(F)c3Cl)ccc21 ZINC000895981183 1309627782 /nfs/dbraw/zinc/62/77/82/1309627782.db2.gz RFJJWLJHXJANLT-UHFFFAOYSA-N 0 0 333.794 3.187 10 10 EGCERN CC(C)CO[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896971732 1310112715 /nfs/dbraw/zinc/11/27/15/1310112715.db2.gz BLWXAJPMMYBFGV-LBPRGKRZSA-N 0 0 335.425 3.200 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)/C=C\C=C(Cl)Cl)C2)cc1 ZINC000898580791 1310796285 /nfs/dbraw/zinc/79/62/85/1310796285.db2.gz OISTXBMGRVOIOG-QQHVMHFCSA-N 0 0 341.238 3.265 10 10 EGCERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000899172150 1310965891 /nfs/dbraw/zinc/96/58/91/1310965891.db2.gz OCZFKTGISRPXLT-WMLDXEAASA-N 0 0 347.436 3.390 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]2CSC[C@H]2C1 ZINC000899179814 1310968923 /nfs/dbraw/zinc/96/89/23/1310968923.db2.gz RKJAZQAPNBLRAP-GXSJLCMTSA-N 0 0 335.450 3.138 10 10 EGCERN O=C(Nc1ccccc1N1CCCC1=O)N1Cc2cccc(O)c2C1 ZINC000929442323 1328598202 /nfs/dbraw/zinc/59/82/02/1328598202.db2.gz OIHKJBMGAWPGRW-UHFFFAOYSA-N 0 0 337.379 3.067 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)Nc1ccc(N2CCCC2)nc1 ZINC000929675974 1328665431 /nfs/dbraw/zinc/66/54/31/1328665431.db2.gz LNKBEZADZIEVCU-UHFFFAOYSA-N 0 0 346.818 3.363 10 10 EGCERN COc1cc(N(C)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc(OC)c1OC ZINC000929706848 1328673079 /nfs/dbraw/zinc/67/30/79/1328673079.db2.gz IDEKWPIWBPRTBM-RISCZKNCSA-N 0 0 349.349 3.259 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)c(C)n1-c1ccccn1 ZINC000899622600 1317116560 /nfs/dbraw/zinc/11/65/60/1317116560.db2.gz LJLLZOUGWFRGSO-WMZOPIPTSA-N 0 0 339.439 3.130 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000858299122 1328733053 /nfs/dbraw/zinc/73/30/53/1328733053.db2.gz PMGIRPDCGLHYIG-TZMCWYRMSA-N 0 0 326.234 3.120 10 10 EGCERN COc1cccc(CNc2ccc3c(c2)[C@H](C)CC(=O)N3C)c1O ZINC000858311198 1328734982 /nfs/dbraw/zinc/73/49/82/1328734982.db2.gz GNDPHJPWLNIFJU-GFCCVEGCSA-N 0 0 326.396 3.483 10 10 EGCERN Cc1cc(CNC(=O)N[C@H]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC000858398313 1328752479 /nfs/dbraw/zinc/75/24/79/1328752479.db2.gz UGBQTYBPINGXGD-KUHUBIRLSA-N 0 0 341.455 3.318 10 10 EGCERN Fc1nccnc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000858386039 1328749947 /nfs/dbraw/zinc/74/99/47/1328749947.db2.gz KUIIBUBKKUBYDU-UHFFFAOYSA-N 0 0 338.333 3.298 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000858386316 1328750057 /nfs/dbraw/zinc/75/00/57/1328750057.db2.gz NQAJANWVNZPWNX-MRXNPFEDSA-N 0 0 326.396 3.332 10 10 EGCERN CC(F)(F)CCCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000913915672 1319175258 /nfs/dbraw/zinc/17/52/58/1319175258.db2.gz KNZXVLUUOQOPDE-UHFFFAOYSA-N 0 0 346.443 3.142 10 10 EGCERN O=S(=O)(CC1(F)CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000914139319 1319251966 /nfs/dbraw/zinc/25/19/66/1319251966.db2.gz SGXFVGZYBPKBME-UHFFFAOYSA-N 0 0 341.448 3.359 10 10 EGCERN CC(C)OCc1ccccc1CNC(=O)NCc1c(O)cccc1F ZINC000914149296 1319252645 /nfs/dbraw/zinc/25/26/45/1319252645.db2.gz HSXSCWKHTPQXEG-UHFFFAOYSA-N 0 0 346.402 3.456 10 10 EGCERN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Br)cc1 ZINC000914515186 1319339963 /nfs/dbraw/zinc/33/99/63/1319339963.db2.gz MTGVWFIMAGTPAU-WTKPLQERSA-N 0 0 334.217 3.249 10 10 EGCERN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccns1 ZINC000858961486 1328899956 /nfs/dbraw/zinc/89/99/56/1328899956.db2.gz DPTBABZPQJCFIG-NSHDSACASA-N 0 0 331.441 3.288 10 10 EGCERN CC(C)(C)c1ccncc1CNC(=O)NCc1c(O)cccc1F ZINC000922877329 1322638974 /nfs/dbraw/zinc/63/89/74/1322638974.db2.gz KULMNXYKYVUYBN-UHFFFAOYSA-N 0 0 331.391 3.223 10 10 EGCERN CC(C)n1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1Cl ZINC000859727251 1329065227 /nfs/dbraw/zinc/06/52/27/1329065227.db2.gz LENKDHSTJSEONA-UHFFFAOYSA-N 0 0 348.834 3.223 10 10 EGCERN COC(C)(C)[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000925497304 1325177466 /nfs/dbraw/zinc/17/74/66/1325177466.db2.gz GRYBMEWCRGRQNZ-HNNXBMFYSA-N 0 0 335.492 3.486 10 10 EGCERN CSCCCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000860697020 1329345564 /nfs/dbraw/zinc/34/55/64/1329345564.db2.gz LLSVNUJCBAPTRE-CYBMUJFWSA-N 0 0 325.474 3.459 10 10 EGCERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCc3c2cccc3F)C1 ZINC000860836344 1329360926 /nfs/dbraw/zinc/36/09/26/1329360926.db2.gz YHKQCOJWAJFKRZ-ZDUSSCGKSA-N 0 0 346.402 3.328 10 10 EGCERN Cc1nc2c(o1)CCC[C@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000926725068 1327685668 /nfs/dbraw/zinc/68/56/68/1327685668.db2.gz NYYDQMLBZILQKG-GOSISDBHSA-N 0 0 341.455 3.111 10 10 EGCERN C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000926915196 1327774257 /nfs/dbraw/zinc/77/42/57/1327774257.db2.gz KGLQHUHFDYNJRE-DRCTWCGVSA-N 0 0 348.321 3.451 10 10 EGCERN C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927145214 1327890171 /nfs/dbraw/zinc/89/01/71/1327890171.db2.gz KBXKXTGBPXWWIC-IUCAKERBSA-N 0 0 341.242 3.036 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000927430765 1328022678 /nfs/dbraw/zinc/02/26/78/1328022678.db2.gz RPCVWAJKCCNLPI-HKUYNNGSSA-N 0 0 345.487 3.099 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000927453396 1328031787 /nfs/dbraw/zinc/03/17/87/1328031787.db2.gz KROKPQHDPKXSID-MLGOLLRUSA-N 0 0 338.835 3.050 10 10 EGCERN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2c(O)cccc2F)CC=CCC1 ZINC000928707021 1328405257 /nfs/dbraw/zinc/40/52/57/1328405257.db2.gz ZTCSBYVYBWPAMX-LJQANCHMSA-N 0 0 349.402 3.216 10 10 EGCERN COC[C@H]1CCN1C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000861827895 1329443976 /nfs/dbraw/zinc/44/39/76/1329443976.db2.gz MWGHACBSLOGUNG-GOSISDBHSA-N 0 0 340.423 3.076 10 10 EGCERN CCC[C@H]1C[C@H](C(=O)NCc2ccc3cccnc3c2O)CCO1 ZINC000862027176 1329456038 /nfs/dbraw/zinc/45/60/38/1329456038.db2.gz LEDKFTLNPSRDRQ-ZBFHGGJFSA-N 0 0 328.412 3.152 10 10 EGCERN CN(C)c1cc(F)c(CN2CCO[C@H](c3cccc(O)c3)C2)cc1F ZINC000862246631 1329470611 /nfs/dbraw/zinc/47/06/11/1329470611.db2.gz SONKZSMSDHROMC-IBGZPJMESA-N 0 0 348.393 3.310 10 10 EGCERN Cc1ccc(O)c(CNC(=O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000862755482 1329506822 /nfs/dbraw/zinc/50/68/22/1329506822.db2.gz IBTSBSKWACLRFQ-LJQANCHMSA-N 0 0 325.408 3.411 10 10 EGCERN Cc1cc(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(C)n1-c1ccccn1 ZINC000863007690 1329522394 /nfs/dbraw/zinc/52/23/94/1329522394.db2.gz XNLGZEGDBGLQGN-OWCBBSPXSA-N 0 0 327.428 3.031 10 10 EGCERN C[C@H](O)c1ccc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000865451615 1329699155 /nfs/dbraw/zinc/69/91/55/1329699155.db2.gz ULSKVHOJSVHJPP-AWEZNQCLSA-N 0 0 329.469 3.300 10 10 EGCERN COCc1sccc1C(=O)NCCCSc1nccs1 ZINC000865782647 1329738108 /nfs/dbraw/zinc/73/81/08/1329738108.db2.gz BHONIYLHQGADPE-UHFFFAOYSA-N 0 0 328.484 3.263 10 10 EGCERN Cc1cc(C(C)C)nc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000865953210 1329754335 /nfs/dbraw/zinc/75/43/35/1329754335.db2.gz ZRVZKWOLEHUQJO-UHFFFAOYSA-N 0 0 340.471 3.482 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ccnn2C)c1O ZINC000932267898 1329801804 /nfs/dbraw/zinc/80/18/04/1329801804.db2.gz HGFUIVJFUMNCLP-MRXNPFEDSA-N 0 0 333.819 3.319 10 10 EGCERN COc1ccc(N2CCC(Nc3cnn4c3CCCC4)CC2)cc1 ZINC000866460655 1330115279 /nfs/dbraw/zinc/11/52/79/1330115279.db2.gz IIKDXNOGUTWENI-UHFFFAOYSA-N 0 0 326.444 3.309 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2c3ccccc3CN2C)c1 ZINC000866564204 1330127274 /nfs/dbraw/zinc/12/72/74/1330127274.db2.gz SGVXZCOVZRXYQF-FZKQIMNGSA-N 0 0 340.423 3.016 10 10 EGCERN O=S(=O)(C1CCC(C(F)(F)F)CC1)N1Cc2cccc(O)c2C1 ZINC000867690180 1330215052 /nfs/dbraw/zinc/21/50/52/1330215052.db2.gz BSEXORZWMGZMPT-UHFFFAOYSA-N 0 0 349.374 3.159 10 10 EGCERN C[C@H](NC(=O)NC[C@@H]1COc2ccccc2C1)c1ccccc1O ZINC000868083866 1330247528 /nfs/dbraw/zinc/24/75/28/1330247528.db2.gz XDXOMCAALGCGCE-UONOGXRCSA-N 0 0 326.396 3.004 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1cccn(C2CC2)c1=O ZINC000868109725 1330250371 /nfs/dbraw/zinc/25/03/71/1330250371.db2.gz HPIHAFIBSSRUHQ-UHFFFAOYSA-N 0 0 340.423 3.331 10 10 EGCERN C[C@H](NC(=O)NCc1ccc(OCC2CC2)nc1)c1ccccc1O ZINC000868185015 1330259839 /nfs/dbraw/zinc/25/98/39/1330259839.db2.gz JJVFMGLPYCFVDA-ZDUSSCGKSA-N 0 0 341.411 3.136 10 10 EGCERN CCOCCCCCC(=O)NCc1cc(Br)ccc1O ZINC000868307319 1330268724 /nfs/dbraw/zinc/26/87/24/1330268724.db2.gz XPAZHDPBPLGCGV-UHFFFAOYSA-N 0 0 344.249 3.368 10 10 EGCERN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)Oc1ccc(F)cc1 ZINC000868321985 1330270643 /nfs/dbraw/zinc/27/06/43/1330270643.db2.gz ZGCVAXWRUKMSQN-STQMWFEESA-N 0 0 332.375 3.359 10 10 EGCERN C[C@H](NC(=O)NC[C@@]1(C)OCCc2sccc21)c1ccccc1O ZINC000868626359 1330301872 /nfs/dbraw/zinc/30/18/72/1330301872.db2.gz IENTXBSGGOPCQG-KPZWWZAWSA-N 0 0 346.452 3.302 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)c1ccncc1 ZINC000868890315 1330368009 /nfs/dbraw/zinc/36/80/09/1330368009.db2.gz QTMNVKYZMXWISF-JKSUJKDBSA-N 0 0 325.456 3.307 10 10 EGCERN CCOc1ccc(N(CC)CC(=O)N(CC)CC(F)(F)F)cc1 ZINC001192011428 1367664729 /nfs/dbraw/zinc/66/47/29/1367664729.db2.gz BXYKSTSIMPQHHS-UHFFFAOYSA-N 0 0 332.366 3.322 10 10 EGCERN COc1ccc(N(Cc2nnc(C)[nH]2)Cc2ccccc2)cc1OC ZINC001198838397 1369126490 /nfs/dbraw/zinc/12/64/90/1369126490.db2.gz XPARCRNQANAOLN-UHFFFAOYSA-N 0 0 338.411 3.337 10 10 EGCERN COc1ccc2c(c1)CCCN2CN1CC[C@H](c2ccccc2)C1=O ZINC001116500064 1370925216 /nfs/dbraw/zinc/92/52/16/1370925216.db2.gz FDDWTGPGKMLEIU-LJQANCHMSA-N 0 0 336.435 3.421 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@@H]3CCC[C@H](F)C3)CC2)cc1 ZINC001326157290 1388120164 /nfs/dbraw/zinc/12/01/64/1388120164.db2.gz XTVWMOWJELMXPU-CVEARBPZSA-N 0 0 334.435 3.262 10 10 EGCERN Cc1ccc2c(c1)SCCCN2C(=O)c1ccnc2c1CC(=O)N2 ZINC001118762537 1371223072 /nfs/dbraw/zinc/22/30/72/1371223072.db2.gz GRLXDLPFRQHNQB-UHFFFAOYSA-N 0 0 339.420 3.027 10 10 EGCERN O=C(/C=C/C=C(Cl)Cl)NCc1ccc(N2CCOCC2)cc1 ZINC001119519612 1371361005 /nfs/dbraw/zinc/36/10/05/1371361005.db2.gz QMVXFBWPDYQECX-HNQUOIGGSA-N 0 0 341.238 3.015 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001126522331 1372972334 /nfs/dbraw/zinc/97/23/34/1372972334.db2.gz BSSGQEBDNKIWPG-LAUBAEHRSA-N 0 0 336.435 3.456 10 10 EGCERN Cc1ncccc1/C=C/C(=O)N(C)c1ccc(Br)nc1 ZINC001126579752 1372977897 /nfs/dbraw/zinc/97/78/97/1372977897.db2.gz YUIGLHQFNHPRML-VMPITWQZSA-N 0 0 332.201 3.224 10 10 EGCERN Cc1cc(=O)oc2cc(N(C)C(=O)/C=C/c3cccnc3C)ccc12 ZINC001128818107 1373313373 /nfs/dbraw/zinc/31/33/73/1373313373.db2.gz NKOYCYBJFVYFGD-RMKNXTFCSA-N 0 0 334.375 3.481 10 10 EGCERN Cc1cc(CNC(=O)Cc2ccc(F)cn2)c(C)n1-c1ccccc1 ZINC001132048312 1375116916 /nfs/dbraw/zinc/11/69/16/1375116916.db2.gz QHLWHLVRPDMVAN-UHFFFAOYSA-N 0 0 337.398 3.487 10 10 EGCERN O=C(NCc1ccc(Cl)cc1F)NCc1c(O)cccc1F ZINC001226892635 1375353981 /nfs/dbraw/zinc/35/39/81/1375353981.db2.gz RZVBGYWYNYNPQN-UHFFFAOYSA-N 0 0 326.730 3.323 10 10 EGCERN Cc1cc(C(=O)N2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001135603370 1377159645 /nfs/dbraw/zinc/15/96/45/1377159645.db2.gz GNUORDGGJWNOKO-UHFFFAOYSA-N 0 0 325.456 3.099 10 10 EGCERN CC(=O)Nc1ccc(OC(=O)c2sc3ncccc3c2N)cc1 ZINC001135744985 1377199816 /nfs/dbraw/zinc/19/98/16/1377199816.db2.gz ZIFGFHXYOKEUGD-UHFFFAOYSA-N 0 0 327.365 3.056 10 10 EGCERN O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cccc(O)c1O ZINC001136251620 1377368233 /nfs/dbraw/zinc/36/82/33/1377368233.db2.gz JJFDRWSENCZWKM-UHFFFAOYSA-N 0 0 329.371 3.479 10 10 EGCERN COc1ccc(C=O)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001137444579 1377548466 /nfs/dbraw/zinc/54/84/66/1377548466.db2.gz FXBWZJXFOXZJOI-UHFFFAOYSA-N 0 0 339.391 3.022 10 10 EGCERN COCC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(C)o1 ZINC001137911602 1377643364 /nfs/dbraw/zinc/64/33/64/1377643364.db2.gz QYIADEMAVBMKNV-CQSZACIVSA-N 0 0 344.371 3.258 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC001140863588 1378162521 /nfs/dbraw/zinc/16/25/21/1378162521.db2.gz RWUQWLHAGUJECY-QSLRECBCSA-N 0 0 349.308 3.332 10 10 EGCERN O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cccc(O)c1O ZINC001142091009 1378412285 /nfs/dbraw/zinc/41/22/85/1378412285.db2.gz SHYPHFPVJCPGLL-UHFFFAOYSA-N 0 0 346.289 3.500 10 10 EGCERN Nc1c(Cl)cc(F)cc1C(=O)NCc1ccc2cccnc2c1O ZINC001142730674 1378482692 /nfs/dbraw/zinc/48/26/92/1378482692.db2.gz CROYTOVHTWZPKX-UHFFFAOYSA-N 0 0 345.761 3.245 10 10 EGCERN CC[C@@H](CNC(=O)c1sccc1-n1c(C)ccc1C)C(=O)OC ZINC001143221448 1378564512 /nfs/dbraw/zinc/56/45/12/1378564512.db2.gz YGKPISUDSHCDHI-ZDUSSCGKSA-N 0 0 334.441 3.085 10 10 EGCERN O=C(Nc1nc2c(s1)COCC2)c1cc2cc(O)c(O)cc2s1 ZINC001143379639 1378589687 /nfs/dbraw/zinc/58/96/87/1378589687.db2.gz UPNFSAVYIZWZTR-UHFFFAOYSA-N 0 0 348.405 3.094 10 10 EGCERN Cc1cc(CC(=O)N[C@@H]2C[C@H]2[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC001143976292 1378665628 /nfs/dbraw/zinc/66/56/28/1378665628.db2.gz VOYUZAUAURELLU-VAMGGRTRSA-N 0 0 338.451 3.320 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC001144772640 1378770912 /nfs/dbraw/zinc/77/09/12/1378770912.db2.gz JFAHAPXSCMQVKZ-YSIASYRMSA-N 0 0 342.483 3.354 10 10 EGCERN C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001327662878 1388574994 /nfs/dbraw/zinc/57/49/94/1388574994.db2.gz RCEMQXSFZWDZNQ-CQSZACIVSA-N 0 0 349.450 3.135 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cncc2ccccc21 ZINC001147887632 1379097312 /nfs/dbraw/zinc/09/73/12/1379097312.db2.gz BYTBFRUTXAAYSG-UHFFFAOYSA-N 0 0 347.418 3.269 10 10 EGCERN COc1cc(Br)ccc1NC(=O)C1=CC(=O)CS1 ZINC001149513671 1379394706 /nfs/dbraw/zinc/39/47/06/1379394706.db2.gz RPNAOWARFIKKAP-UHFFFAOYSA-N 0 0 328.187 3.477 10 10 EGCERN Cc1cc(CC(=O)NC[C@@H](O)c2ccccc2)c(C)n1-c1ccccc1 ZINC001150081538 1379491520 /nfs/dbraw/zinc/49/15/20/1379491520.db2.gz LBRVECSLVRUATK-OAQYLSRUSA-N 0 0 348.446 3.486 10 10 EGCERN O=C(Cc1cc2cc(Cl)ccc2[nH]1)NCCc1ccc(O)c(O)c1 ZINC001150487572 1379557840 /nfs/dbraw/zinc/55/78/40/1379557840.db2.gz GASYKSUNQSTUBF-UHFFFAOYSA-N 0 0 344.798 3.134 10 10 EGCERN CC[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)c2cccc(Cl)c2O1 ZINC001154126331 1380213028 /nfs/dbraw/zinc/21/30/28/1380213028.db2.gz MWPYLAFZUQTHGR-LBPRGKRZSA-N 0 0 347.798 3.498 10 10 EGCERN CCOc1ccc(OC(C)(C)C(=O)NCc2c(O)cccc2F)cc1 ZINC001156164008 1380534376 /nfs/dbraw/zinc/53/43/76/1380534376.db2.gz JONHHKKWSFKJFY-UHFFFAOYSA-N 0 0 347.386 3.404 10 10 EGCERN C[C@@H](Oc1ccc(C=O)cc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041758 1380757789 /nfs/dbraw/zinc/75/77/89/1380757789.db2.gz MNKPVOAGNSWUGN-CQSZACIVSA-N 0 0 349.386 3.442 10 10 EGCERN CCNc1ncc(C(=O)NCc2c(O)ccc3ccccc32)s1 ZINC001157050465 1380761209 /nfs/dbraw/zinc/76/12/09/1380761209.db2.gz HDINFBKUGFQTIT-UHFFFAOYSA-N 0 0 327.409 3.364 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC=CO1 ZINC001287181531 1381146754 /nfs/dbraw/zinc/14/67/54/1381146754.db2.gz MRLJLLDMFULPCV-MRXNPFEDSA-N 0 0 342.443 3.436 10 10 EGCERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC=CO1 ZINC001287181530 1381147181 /nfs/dbraw/zinc/14/71/81/1381147181.db2.gz MRLJLLDMFULPCV-INIZCTEOSA-N 0 0 342.443 3.436 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCOc2c(F)cccc21 ZINC001159041625 1381537508 /nfs/dbraw/zinc/53/75/08/1381537508.db2.gz VDFXOZPTWIKIJB-GFCCVEGCSA-N 0 0 335.762 3.367 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@]1(O)CCC[C@@H]1C ZINC001159723627 1381880490 /nfs/dbraw/zinc/88/04/90/1381880490.db2.gz SXUWNHMVJWUWTJ-KPZWWZAWSA-N 0 0 332.469 3.437 10 10 EGCERN COC(=O)c1ccsc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001160496528 1382123060 /nfs/dbraw/zinc/12/30/60/1382123060.db2.gz RTBFBXDNKMMPDN-UHFFFAOYSA-N 0 0 349.389 3.413 10 10 EGCERN C[S@@](=N)(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1 ZINC001161518318 1382428954 /nfs/dbraw/zinc/42/89/54/1382428954.db2.gz XOEJOBIVGCRBGD-HSZRJFAPSA-N 0 0 346.433 3.193 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1cccc2c1C(=O)OC2(C)C ZINC001294680011 1382483196 /nfs/dbraw/zinc/48/31/96/1382483196.db2.gz UUAXYYOSXAZATO-UHFFFAOYSA-N 0 0 325.364 3.070 10 10 EGCERN COc1ccc(CNC(=O)c2ccc(F)c(C(F)F)c2)c(O)c1 ZINC001296968785 1383101746 /nfs/dbraw/zinc/10/17/46/1383101746.db2.gz RBPXVSDHGCVBIZ-UHFFFAOYSA-N 0 0 325.286 3.408 10 10 EGCERN Cc1cc(CNc2nc(N)nc(Cl)c2N)c(C)n1-c1ccccc1 ZINC001163890397 1383133637 /nfs/dbraw/zinc/13/36/37/1383133637.db2.gz KPXPCHPPEUIRNY-UHFFFAOYSA-N 0 0 342.834 3.314 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC001297562268 1383185320 /nfs/dbraw/zinc/18/53/20/1383185320.db2.gz FKVODTQBWGMXCP-XJKSGUPXSA-N 0 0 326.433 3.089 10 10 EGCERN CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cccc(O)c2O)cc1 ZINC001297630297 1383199439 /nfs/dbraw/zinc/19/94/39/1383199439.db2.gz XKNGHFPZEPUAOR-ZDUSSCGKSA-N 0 0 329.396 3.419 10 10 EGCERN CC(C)NC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001165508736 1383305465 /nfs/dbraw/zinc/30/54/65/1383305465.db2.gz VOLROUKMYKLNRY-UHFFFAOYSA-N 0 0 346.814 3.114 10 10 EGCERN COc1ccc(N2CCN(C(=O)C3=CC[C@H](C)CC3)CC2)c(OC)c1 ZINC001302000794 1383737949 /nfs/dbraw/zinc/73/79/49/1383737949.db2.gz OFJHJVHWWDKQHF-HNNXBMFYSA-N 0 0 344.455 3.099 10 10 EGCERN CCc1c(C(=O)NCc2c(O)cccc2O)cnn1C(CC)CC ZINC001304053051 1383825296 /nfs/dbraw/zinc/82/52/96/1383825296.db2.gz ALTAMCZWTWUYEJ-UHFFFAOYSA-N 0 0 331.416 3.148 10 10 EGCERN CCC[C@@H](CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001312758494 1384369186 /nfs/dbraw/zinc/36/91/86/1384369186.db2.gz OITVTJNNMIPSFU-YJBOKZPZSA-N 0 0 335.492 3.106 10 10 EGCERN Cc1cc(CNC(=O)N[C@@H](C)C[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC001313132082 1384398751 /nfs/dbraw/zinc/39/87/51/1384398751.db2.gz LPPSFXFESMLOCD-HOCLYGCPSA-N 0 0 343.471 3.361 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C[C@@H](C)C(F)(F)F)CC2)cc1 ZINC001328992723 1388921202 /nfs/dbraw/zinc/92/12/02/1388921202.db2.gz JDHVUWPARIKUPC-CYBMUJFWSA-N 0 0 344.377 3.322 10 10 EGCERN C[C@H](NC(=O)c1c(F)cccc1-n1cccn1)c1ccccc1O ZINC001171731086 1384617315 /nfs/dbraw/zinc/61/73/15/1384617315.db2.gz XNPSNWSXUOQYCO-LBPRGKRZSA-N 0 0 325.343 3.208 10 10 EGCERN C[C@H](NC(=O)c1cc(Br)ccc1N)c1ccccc1O ZINC001171737912 1384621022 /nfs/dbraw/zinc/62/10/22/1384621022.db2.gz SUVANPMBNJJGDI-VIFPVBQESA-N 0 0 335.201 3.228 10 10 EGCERN Cc1cccc2ncc(C(=O)NCc3c(O)ccc4ccccc43)n21 ZINC001179033388 1386384151 /nfs/dbraw/zinc/38/41/51/1386384151.db2.gz WJDOLAAGJYOJHV-UHFFFAOYSA-N 0 0 331.375 3.432 10 10 EGCERN Cc1cc(O)c(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)cc1Cl ZINC001182595252 1387193663 /nfs/dbraw/zinc/19/36/63/1387193663.db2.gz QXYFLFRRGVCFMB-HZMBPMFUSA-N 0 0 337.769 3.489 10 10 EGCERN Cc1cc(CC(=O)N2CC[C@@H]3OCC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001329340512 1389067063 /nfs/dbraw/zinc/06/70/63/1389067063.db2.gz WLRLPBITRSHOJD-XLIONFOSSA-N 0 0 338.451 3.274 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2[C@@H]2CCCOC2)cc1 ZINC001347291123 1391048403 /nfs/dbraw/zinc/04/84/03/1391048403.db2.gz TXFXCYCNPAGWDX-MJGOQNOKSA-N 0 0 345.487 3.243 10 10 EGCERN Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(O)c2O)c1 ZINC001347530618 1391088324 /nfs/dbraw/zinc/08/83/24/1391088324.db2.gz FYFKYDDPOFZKAL-UHFFFAOYSA-N 0 0 329.396 3.225 10 10 EGCERN O=C(NCc1cccc(O)c1O)[C@H](c1ccncc1)C1CCCC1 ZINC001347542308 1391089968 /nfs/dbraw/zinc/08/99/68/1391089968.db2.gz LBKQPXZHWVGDTA-KRWDZBQOSA-N 0 0 326.396 3.083 10 10 EGCERN Cc1ccc(OCCCC(=O)NCc2cccc(O)c2O)cc1C ZINC001348046667 1391165217 /nfs/dbraw/zinc/16/52/17/1391165217.db2.gz IJOXVMHKPLZWMI-UHFFFAOYSA-N 0 0 329.396 3.190 10 10 EGCERN CN(C)c1ccc(CNC(=O)Cn2ccc3ccc(F)cc32)cc1 ZINC001348912707 1391283425 /nfs/dbraw/zinc/28/34/25/1391283425.db2.gz ZEZRNDKLFCPPNU-UHFFFAOYSA-N 0 0 325.387 3.163 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ncc(C(F)(F)F)s2)cc1 ZINC001350813836 1391537286 /nfs/dbraw/zinc/53/72/86/1391537286.db2.gz BSLZTIRDBYJUCQ-UHFFFAOYSA-N 0 0 329.347 3.158 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1OCc2ccccc21 ZINC001687844176 1396509115 /nfs/dbraw/zinc/50/91/15/1396509115.db2.gz KRPICSDCVSHRHF-MRXNPFEDSA-N 0 0 332.787 3.116 10 10 EGCERN Cc1nnc(N(C)CC2CCC2)n1CCCSc1nccs1 ZINC001693464418 1406017380 /nfs/dbraw/zinc/01/73/80/1406017380.db2.gz RPUUNIOJZUCKAU-UHFFFAOYSA-N 0 0 337.518 3.462 10 10 EGCERN CCc1nnc(N2CC[C@@H](CC)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694686393 1406062981 /nfs/dbraw/zinc/06/29/81/1406062981.db2.gz FYBVETIGRDRUDH-CQSZACIVSA-N 0 0 345.466 3.330 10 10 EGCERN CSCCCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001698436120 1406141460 /nfs/dbraw/zinc/14/14/60/1406141460.db2.gz BITPDWGWGQMATH-UHFFFAOYSA-N 0 0 346.500 3.326 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)CCOC ZINC001727507030 1427107331 /nfs/dbraw/zinc/10/73/31/1427107331.db2.gz FWHPXYMSYXIABR-UHFFFAOYSA-N 0 0 346.475 3.245 10 10 EGCERN CCc1nnc(N2C[C@@H]3CCC[C@H]32)n1CCCSc1nccs1 ZINC001744599529 1439669925 /nfs/dbraw/zinc/66/99/25/1439669925.db2.gz ILBGZKSKFVCADV-QWHCGFSZSA-N 0 0 349.529 3.468 10 10 EGCERN CCCCN(CC)c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001745444034 1439772989 /nfs/dbraw/zinc/77/29/89/1439772989.db2.gz MIUSQJUURRCWGT-UHFFFAOYSA-N 0 0 333.455 3.466 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2C[C@@H]3CCC[C@H]32)cc1 ZINC001746086393 1439851704 /nfs/dbraw/zinc/85/17/04/1439851704.db2.gz LOSKRQLGBMQGGQ-PKOBYXMFSA-N 0 0 339.487 3.470 10 10 EGCERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1C[C@@H]1C ZINC001762514732 1441375950 /nfs/dbraw/zinc/37/59/50/1441375950.db2.gz WBGODTMGGKSWMC-MAUKXSAKSA-N 0 0 339.487 3.479 10 10 EGCERN CCCN(C)c1nnc(CC)n1CCCSc1nccs1 ZINC001764252151 1441388582 /nfs/dbraw/zinc/38/85/82/1441388582.db2.gz MFJQOAVKDUWLED-UHFFFAOYSA-N 0 0 325.507 3.326 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC1(C)CC1 ZINC001768684644 1441408192 /nfs/dbraw/zinc/40/81/92/1441408192.db2.gz WPOXTGSFLYTEGP-UHFFFAOYSA-N 0 0 326.444 3.373 10 10 EGCERN CC(=O)N1C[C@@H](C)CN(C(=O)/C=C\c2cccnc2)c2ccccc21 ZINC000098056124 219075128 /nfs/dbraw/zinc/07/51/28/219075128.db2.gz PANVGWZYGSZEDH-FJVVXJACSA-N 0 0 335.407 3.131 10 10 EGCERN CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1ccc(N(C)C)cc1 ZINC000064567349 214793012 /nfs/dbraw/zinc/79/30/12/214793012.db2.gz WSMAXDSOZKWEMX-GOSISDBHSA-N 0 0 327.359 3.131 10 10 EGCERN Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(N)cc2)C3=O)cc1 ZINC000003897622 210087873 /nfs/dbraw/zinc/08/78/73/210087873.db2.gz YRJIMODSIFDSRK-UHFFFAOYSA-N 0 0 345.358 3.444 10 10 EGCERN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(N)cc1 ZINC000022211821 212283222 /nfs/dbraw/zinc/28/32/22/212283222.db2.gz OOXNHDGHAALRJY-SNVBAGLBSA-N 0 0 335.201 3.437 10 10 EGCERN CSC1=NSC2=NC(=O)/C(=C\c3c[nH]c4ccccc34)C(=N)N12 ZINC000020154759 212107522 /nfs/dbraw/zinc/10/75/22/212107522.db2.gz ATXGNNSWTMCPQY-ZHFXUQJZSA-N 0 0 341.421 3.108 10 10 EGCERN Nc1ccc(CC(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1 ZINC000238076272 257944182 /nfs/dbraw/zinc/94/41/82/257944182.db2.gz VUYCXUSJTSTXRS-UHFFFAOYSA-N 0 0 333.395 3.113 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1ccncc1 ZINC000180750947 455238696 /nfs/dbraw/zinc/23/86/96/455238696.db2.gz XHBKFOTYXJPYHS-WFNSPDMASA-N 0 0 346.386 3.412 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)C1=COCCC1 ZINC000075416830 453891233 /nfs/dbraw/zinc/89/12/33/453891233.db2.gz AHLCKVFBYFIOIS-UHFFFAOYSA-N 0 0 340.217 3.198 10 10 EGCERN COc1ccc(N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000069457614 454107794 /nfs/dbraw/zinc/10/77/94/454107794.db2.gz AVOFPXZWDLRXFE-UHFFFAOYSA-N 0 0 325.412 3.486 10 10 EGCERN COc1ccc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000058179139 454168671 /nfs/dbraw/zinc/16/86/71/454168671.db2.gz HSWAFJODHDXJIF-AWEZNQCLSA-N 0 0 330.432 3.085 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)c1ncnc2ccccc21 ZINC000070793167 454176748 /nfs/dbraw/zinc/17/67/48/454176748.db2.gz QEARSTNDKOVPOB-UHFFFAOYSA-N 0 0 334.423 3.103 10 10 EGCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@]4(CC=CCC4)C3)cc2N1 ZINC000130690559 454212379 /nfs/dbraw/zinc/21/23/79/454212379.db2.gz DDEZKOFXGOFYGJ-SFHVURJKSA-N 0 0 343.383 3.252 10 10 EGCERN CC[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1O ZINC000071898373 454247954 /nfs/dbraw/zinc/24/79/54/454247954.db2.gz DSYCMCSZZGGBSF-INIZCTEOSA-N 0 0 349.390 3.146 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)CSCc2ccccn2)cc1 ZINC000080210254 454550564 /nfs/dbraw/zinc/55/05/64/454550564.db2.gz ZLPUGNNTROBJJW-UHFFFAOYSA-N 0 0 329.469 3.039 10 10 EGCERN CCOc1cccc(CN2CCO[C@H](c3cccc(OC)c3)C2)c1O ZINC000093079832 454678259 /nfs/dbraw/zinc/67/82/59/454678259.db2.gz WURXNRCXZLOPRK-IBGZPJMESA-N 0 0 343.423 3.373 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)NCCCc1ccccn1 ZINC000178413982 454953501 /nfs/dbraw/zinc/95/35/01/454953501.db2.gz ASXFYJFDYLVSES-UHFFFAOYSA-N 0 0 327.428 3.342 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000170896179 454996033 /nfs/dbraw/zinc/99/60/33/454996033.db2.gz JEOWBWHNKPHMKN-IBGZPJMESA-N 0 0 349.438 3.163 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000172695153 455174210 /nfs/dbraw/zinc/17/42/10/455174210.db2.gz DWVVWQPVFMVJDL-LJQANCHMSA-N 0 0 349.434 3.386 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1ccncn1 ZINC000181849307 455389190 /nfs/dbraw/zinc/38/91/90/455389190.db2.gz WWSMYQHOCFIETH-JXMROGBWSA-N 0 0 336.439 3.139 10 10 EGCERN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185172550 455516165 /nfs/dbraw/zinc/51/61/65/455516165.db2.gz VMZXHZHHPUJZME-CQSZACIVSA-N 0 0 342.414 3.487 10 10 EGCERN Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000182505466 455527727 /nfs/dbraw/zinc/52/77/27/455527727.db2.gz OWNVDRBCPZFEOG-BLLLJJGKSA-N 0 0 345.370 3.148 10 10 EGCERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000182505491 455527956 /nfs/dbraw/zinc/52/79/56/455527956.db2.gz OWNVDRBCPZFEOG-MLGOLLRUSA-N 0 0 345.370 3.148 10 10 EGCERN CCN(CC)c1ccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000248830025 455733307 /nfs/dbraw/zinc/73/33/07/455733307.db2.gz HTJIOTARGSOUDR-ROUUACIJSA-N 0 0 344.459 3.186 10 10 EGCERN C1=CCN(c2ccc(CNc3ncnc4c3ncn4C3CC3)cc2)C1 ZINC000292792932 455758384 /nfs/dbraw/zinc/75/83/84/455758384.db2.gz QQPSXRVBWRQPIE-UHFFFAOYSA-N 0 0 332.411 3.150 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCOC[C@H]3C)c2C)cc1 ZINC000278365214 455830940 /nfs/dbraw/zinc/83/09/40/455830940.db2.gz BPQFNUSUXCPASB-YJYMSZOUSA-N 0 0 342.439 3.258 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000295406939 455847980 /nfs/dbraw/zinc/84/79/80/455847980.db2.gz RGMAVKFJCVJIJC-CMPLNLGQSA-N 0 0 327.705 3.072 10 10 EGCERN Cc1cnn(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)c1 ZINC000187313749 455894621 /nfs/dbraw/zinc/89/46/21/455894621.db2.gz RWIPDMJFTUXDJW-LBPRGKRZSA-N 0 0 338.249 3.319 10 10 EGCERN C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296526828 455963495 /nfs/dbraw/zinc/96/34/95/455963495.db2.gz SJQXTGIYVWTKCC-OAHLLOKOSA-N 0 0 341.484 3.154 10 10 EGCERN Cc1cc(C(=O)CN2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000272505302 455974241 /nfs/dbraw/zinc/97/42/41/455974241.db2.gz FFLHBCXNXUTSIG-HZPDHXFCSA-N 0 0 344.430 3.119 10 10 EGCERN Cc1nc(Cl)ccc1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000271190231 456163381 /nfs/dbraw/zinc/16/33/81/456163381.db2.gz GNFATKIICLEGQM-UHFFFAOYSA-N 0 0 345.830 3.078 10 10 EGCERN Cc1cc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ncn1 ZINC000301856362 456233943 /nfs/dbraw/zinc/23/39/43/456233943.db2.gz RIBUAYHOFVFIJW-SFHVURJKSA-N 0 0 326.444 3.037 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2cnccc2c1 ZINC000281560453 456265938 /nfs/dbraw/zinc/26/59/38/456265938.db2.gz JTUUJFFTRFQKPT-UHFFFAOYSA-N 0 0 334.423 3.358 10 10 EGCERN COc1cccc(CNC(=O)NCC2CC(c3ccccc3)C2)c1O ZINC000283069641 456704329 /nfs/dbraw/zinc/70/43/29/456704329.db2.gz XJODINKAPUZFNX-UHFFFAOYSA-N 0 0 340.423 3.394 10 10 EGCERN CC(=O)[C@@H](C)CCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000571765206 459572978 /nfs/dbraw/zinc/57/29/78/459572978.db2.gz VYLGHLQHJHVCTI-AWEZNQCLSA-N 0 0 332.444 3.264 10 10 EGCERN O=C([C@@H]1CCCC12CC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000528881584 459816058 /nfs/dbraw/zinc/81/60/58/459816058.db2.gz IQZLACPHSFGXKO-IRXDYDNUSA-N 0 0 329.440 3.480 10 10 EGCERN COc1ccc(CNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000529226464 459826201 /nfs/dbraw/zinc/82/62/01/459826201.db2.gz DOAGBHXBXMQDKN-SJORKVTESA-N 0 0 329.371 3.350 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)[C@H]1CCCCO1 ZINC000631560204 460442941 /nfs/dbraw/zinc/44/29/41/460442941.db2.gz UJQILDMBJQLZHL-QGZVFWFLSA-N 0 0 332.444 3.073 10 10 EGCERN CSc1cccnc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000650448592 461771691 /nfs/dbraw/zinc/77/16/91/461771691.db2.gz DLMIRKDSVCGXHV-UHFFFAOYSA-N 0 0 344.440 3.300 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC(C(C)(C)O)CC1 ZINC000651415347 462219476 /nfs/dbraw/zinc/21/94/76/462219476.db2.gz BQVLDDWORMIAPX-UHFFFAOYSA-N 0 0 346.471 3.055 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)cc1 ZINC000242191387 524406600 /nfs/dbraw/zinc/40/66/00/524406600.db2.gz XFCUYSHTBIFYJM-MSOLQXFVSA-N 0 0 340.423 3.131 10 10 EGCERN C[C@@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)n1cccc1 ZINC000729527214 574868137 /nfs/dbraw/zinc/86/81/37/574868137.db2.gz NDFBCLUPSGABJD-IRXDYDNUSA-N 0 0 341.455 3.153 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000729705904 574881294 /nfs/dbraw/zinc/88/12/94/574881294.db2.gz PCVHMKNRRQKUFI-OAHLLOKOSA-N 0 0 348.468 3.425 10 10 EGCERN CCCCCCOCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000730769279 575018051 /nfs/dbraw/zinc/01/80/51/575018051.db2.gz CUGZRYCIYNDHQI-UHFFFAOYSA-N 0 0 348.487 3.079 10 10 EGCERN COC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000730887734 575033100 /nfs/dbraw/zinc/03/31/00/575033100.db2.gz ZLMHNUOTKFGRRP-UHFFFAOYSA-N 0 0 347.386 3.384 10 10 EGCERN Cn1cnnc1CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734485938 575493387 /nfs/dbraw/zinc/49/33/87/575493387.db2.gz FSEPHFQKFYPKMG-UHFFFAOYSA-N 0 0 334.423 3.347 10 10 EGCERN Cc1cc(C(=O)NC(C)(C)c2cn[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000734948307 575577978 /nfs/dbraw/zinc/57/79/78/575577978.db2.gz QBGMPIUYIJCQQR-UHFFFAOYSA-N 0 0 337.427 3.186 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc2nccn2c1 ZINC000741070052 576652842 /nfs/dbraw/zinc/65/28/42/576652842.db2.gz QVXWDBVJQOPBMI-UHFFFAOYSA-N 0 0 333.395 3.032 10 10 EGCERN O=C(NCc1ccc(Cl)o1)NCc1ccc(N2CC=CC2)cc1 ZINC000741074916 576653128 /nfs/dbraw/zinc/65/31/28/576653128.db2.gz SOMMEDJHMQGAOE-UHFFFAOYSA-N 0 0 331.803 3.309 10 10 EGCERN COc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1 ZINC000741922415 576733992 /nfs/dbraw/zinc/73/39/92/576733992.db2.gz CYPDVMLMDYNRIV-UHFFFAOYSA-N 0 0 326.396 3.093 10 10 EGCERN CNc1ncc(C(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000160977022 1294282836 /nfs/dbraw/zinc/28/28/36/1294282836.db2.gz ZLHGRCWNHXMWIZ-UHFFFAOYSA-N 0 0 343.408 3.326 10 10 EGCERN COc1ccc(O)c(CNC(=O)/C(C)=C/c2ccc(OC)c(F)c2)c1 ZINC000183328242 1295112636 /nfs/dbraw/zinc/11/26/36/1295112636.db2.gz AULKPWJTVBVEIX-XYOKQWHBSA-N 0 0 345.370 3.268 10 10 EGCERN COc1cc(C)cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1O ZINC000190226593 1295571112 /nfs/dbraw/zinc/57/11/12/1295571112.db2.gz SNHUZNRIIGIIMV-ZDUSSCGKSA-N 0 0 330.432 3.001 10 10 EGCERN Oc1ccc2oc3c(c2c1CN1CCO[C@@H](C(F)F)C1)CCCC3 ZINC000193439074 1295869151 /nfs/dbraw/zinc/86/91/51/1295869151.db2.gz GGDAWMSGWUPEPW-MRXNPFEDSA-N 0 0 337.366 3.483 10 10 EGCERN O=C(/C=C\c1ccncc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000221955976 1296128260 /nfs/dbraw/zinc/12/82/60/1296128260.db2.gz UKKFJUORNIFKEG-JTHGQSKGSA-N 0 0 338.407 3.008 10 10 EGCERN CC(C)c1c(C(=O)N2Cc3cccc(O)c3C2)cnn1-c1ccccn1 ZINC000871199349 1296268711 /nfs/dbraw/zinc/26/87/11/1296268711.db2.gz XFGCRPGQTQDLEM-UHFFFAOYSA-N 0 0 348.406 3.252 10 10 EGCERN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1Cc2cccc(O)c2C1 ZINC000871197644 1296268735 /nfs/dbraw/zinc/26/87/35/1296268735.db2.gz CMLDUUMOALWTBB-KRWDZBQOSA-N 0 0 339.391 3.106 10 10 EGCERN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000871204654 1296271101 /nfs/dbraw/zinc/27/11/01/1296271101.db2.gz NSIBKNSNBVJBCS-UHFFFAOYSA-N 0 0 344.342 3.260 10 10 EGCERN O=C([C@H]1CCN(c2ccccc2Cl)C1)N1Cc2cccc(O)c2C1 ZINC000871204355 1296271938 /nfs/dbraw/zinc/27/19/38/1296271938.db2.gz DBYLBAKEKHVZKK-AWEZNQCLSA-N 0 0 342.826 3.414 10 10 EGCERN CCc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1C1CCCC1 ZINC000871205243 1296272895 /nfs/dbraw/zinc/27/28/95/1296272895.db2.gz XEYWDRXRJSIYFS-UHFFFAOYSA-N 0 0 325.412 3.422 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871328760 1296352133 /nfs/dbraw/zinc/35/21/33/1296352133.db2.gz LJDYGIMFODRUHD-DYLHUKMJSA-N 0 0 331.412 3.061 10 10 EGCERN C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000872114919 1296741310 /nfs/dbraw/zinc/74/13/10/1296741310.db2.gz YTFUMSYDVYOEGG-MNOVXSKESA-N 0 0 331.334 3.405 10 10 EGCERN Nc1ccc(Cc2nc(-c3ccncc3Br)no2)cc1 ZINC000395995453 1297685649 /nfs/dbraw/zinc/68/56/49/1297685649.db2.gz XQWKRSCGBBOPEY-UHFFFAOYSA-N 0 0 331.173 3.067 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCC[C@]23CCCO3)c(C)n1-c1ccccn1 ZINC000882610739 1302034901 /nfs/dbraw/zinc/03/49/01/1302034901.db2.gz FIPWPBNZRUGHOI-XLIONFOSSA-N 0 0 339.439 3.321 10 10 EGCERN COC(=O)c1c(CN(C)Cc2cc(C)on2)c2cc(F)ccc2n1C ZINC000893952997 1306144076 /nfs/dbraw/zinc/14/40/76/1306144076.db2.gz PAAVMHRLRRIGOT-UHFFFAOYSA-N 0 0 345.374 3.032 10 10 EGCERN COc1c([O-])c(C[NH2+]CC[C@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000895545988 1309394342 /nfs/dbraw/zinc/39/43/42/1309394342.db2.gz WHFNUJHECJMALY-LLVKDONJSA-N 0 0 330.331 3.224 10 10 EGCERN C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)c(F)cc3[O-])O2)CO1 ZINC000895818992 1309534263 /nfs/dbraw/zinc/53/42/63/1309534263.db2.gz HCNKCDZNRNIGDV-RSAASHCRSA-N 0 0 329.799 3.001 10 10 EGCERN O=C(N[C@@H](C1CC1)C1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000898272571 1310657059 /nfs/dbraw/zinc/65/70/59/1310657059.db2.gz GELSVABHQZPUCK-KRWDZBQOSA-N 0 0 347.436 3.248 10 10 EGCERN CN(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)n2)cc1 ZINC000929402923 1328589214 /nfs/dbraw/zinc/58/92/14/1328589214.db2.gz FTTMHEOTJIFZAU-UHFFFAOYSA-N 0 0 337.345 3.025 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC000857919982 1328625829 /nfs/dbraw/zinc/62/58/29/1328625829.db2.gz QMVKHCQGPUMNMU-OAHLLOKOSA-N 0 0 340.471 3.194 10 10 EGCERN Cc1cc(C(=O)N2CCCn3nncc3C2)c(C)n1-c1ccccc1C ZINC000899332978 1316994638 /nfs/dbraw/zinc/99/46/38/1316994638.db2.gz IVTYLZBWQYXHNC-UHFFFAOYSA-N 0 0 349.438 3.040 10 10 EGCERN O=C(c1cccc(O)c1O)N1Cc2ccccc2OC2(CCC2)C1 ZINC000899827347 1317175785 /nfs/dbraw/zinc/17/57/85/1317175785.db2.gz FSGRFAWMIYZLMC-UHFFFAOYSA-N 0 0 325.364 3.055 10 10 EGCERN COc1ccc(OC)c([C@@H](C)NC(=O)NCc2cc(C)ccc2O)c1 ZINC000858160193 1328699984 /nfs/dbraw/zinc/69/99/84/1328699984.db2.gz QDPKMAOZXJPWBP-CYBMUJFWSA-N 0 0 344.411 3.278 10 10 EGCERN CN(C)c1cc(F)c(CNC[C@@H](n2cccn2)C(F)(F)F)cc1F ZINC000858208376 1328711320 /nfs/dbraw/zinc/71/13/20/1328711320.db2.gz AOPDUSOASZNCGE-CQSZACIVSA-N 0 0 348.319 3.121 10 10 EGCERN Fc1nccnc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000858428697 1328760008 /nfs/dbraw/zinc/76/00/08/1328760008.db2.gz XJSUUOOIHFFVAZ-NSHDSACASA-N 0 0 338.333 3.298 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)[C@@]12CCO[C@@H]1CCCC2 ZINC000930206214 1328811255 /nfs/dbraw/zinc/81/12/55/1328811255.db2.gz SNDHQRVAJQHQMB-QUCCMNQESA-N 0 0 328.456 3.252 10 10 EGCERN CCOCc1ccccc1CNC(=O)NCc1c(O)cccc1F ZINC000914063831 1319223849 /nfs/dbraw/zinc/22/38/49/1319223849.db2.gz UNBMMRHGHBOEQP-UHFFFAOYSA-N 0 0 332.375 3.067 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3C[C@H](OC)C3)c2C)cc1 ZINC000914411734 1319320564 /nfs/dbraw/zinc/32/05/64/1319320564.db2.gz NGXPMUOBSVQAOJ-RZDIXWSQSA-N 0 0 342.439 3.258 10 10 EGCERN C/C=C\CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000858888519 1328883199 /nfs/dbraw/zinc/88/31/99/1328883199.db2.gz NFCDHQPWLPLIIU-XQJDBVBESA-N 0 0 339.386 3.132 10 10 EGCERN CCc1c(NC(=O)NCc2c(O)cccc2F)cnn1CC(C)C ZINC000930561805 1328896215 /nfs/dbraw/zinc/89/62/15/1328896215.db2.gz YJUSUVAZYCLRGL-UHFFFAOYSA-N 0 0 334.395 3.268 10 10 EGCERN CCCOCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000920915138 1322234534 /nfs/dbraw/zinc/23/45/34/1322234534.db2.gz RPJIOKGKJACXPT-UHFFFAOYSA-N 0 0 347.386 3.386 10 10 EGCERN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000922053605 1322445855 /nfs/dbraw/zinc/44/58/55/1322445855.db2.gz GFZXCUOUQJDDAY-SCDSUCTJSA-N 0 0 329.366 3.311 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922673860 1322585176 /nfs/dbraw/zinc/58/51/76/1322585176.db2.gz VENWVEKIIYQMOA-CMPLNLGQSA-N 0 0 325.277 3.260 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923027800 1322677712 /nfs/dbraw/zinc/67/77/12/1322677712.db2.gz JDAJLWRWYWYVQZ-CYBMUJFWSA-N 0 0 344.224 3.485 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000931308027 1329090373 /nfs/dbraw/zinc/09/03/73/1329090373.db2.gz QUUQBVSKXGLPAH-TWGQIWQCSA-N 0 0 330.340 3.319 10 10 EGCERN CCCn1ncc(NC(=O)NCc2c(O)cccc2F)c1C1CC1 ZINC000931601901 1329152090 /nfs/dbraw/zinc/15/20/90/1329152090.db2.gz BYHCDLURIUXZLI-UHFFFAOYSA-N 0 0 332.379 3.337 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)c1 ZINC000860241205 1329181865 /nfs/dbraw/zinc/18/18/65/1329181865.db2.gz HHDLMCHLFYUDNC-CGTJXYLNSA-N 0 0 343.810 3.256 10 10 EGCERN CC[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000925692758 1325263404 /nfs/dbraw/zinc/26/34/04/1325263404.db2.gz BAPPFUYYJHGRBG-OLZOCXBDSA-N 0 0 336.432 3.120 10 10 EGCERN C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000926948697 1327791582 /nfs/dbraw/zinc/79/15/82/1327791582.db2.gz OKZSBKNIGWUKIY-MSFDSXBXSA-N 0 0 332.227 3.154 10 10 EGCERN CC[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000926983106 1327807463 /nfs/dbraw/zinc/80/74/63/1327807463.db2.gz VCZWJDBSWLJDIB-SKDRFNHKSA-N 0 0 331.243 3.266 10 10 EGCERN Cn1nccc1[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000928364800 1328289372 /nfs/dbraw/zinc/28/93/72/1328289372.db2.gz WGSPRWFNDBCUGY-GFCCVEGCSA-N 0 0 343.408 3.023 10 10 EGCERN O=C(NCc1c(O)cccc1F)C1(c2ccc(F)cc2)CCOCC1 ZINC000928712344 1328407408 /nfs/dbraw/zinc/40/74/08/1328407408.db2.gz RUJONCVIGFVQII-UHFFFAOYSA-N 0 0 347.361 3.035 10 10 EGCERN CCc1cc(Cl)cnc1NC(=O)NCc1cc(OC)ccc1O ZINC000861612687 1329431657 /nfs/dbraw/zinc/43/16/57/1329431657.db2.gz SOYPWYGAJAIYKP-UHFFFAOYSA-N 0 0 335.791 3.333 10 10 EGCERN CCC(CC)n1nccc1C(=O)NCc1ccc2cccnc2c1O ZINC000862026928 1329455742 /nfs/dbraw/zinc/45/57/42/1329455742.db2.gz DKZAFNMZGHXTQH-UHFFFAOYSA-N 0 0 338.411 3.428 10 10 EGCERN Cc1nc(C2CC2)ccc1C(=O)NCc1ccc2cccnc2c1O ZINC000862026215 1329455878 /nfs/dbraw/zinc/45/58/78/1329455878.db2.gz ITZYCXYDXCCPCG-UHFFFAOYSA-N 0 0 333.391 3.451 10 10 EGCERN CO[C@H]1CCC[C@@H](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026100 1329455882 /nfs/dbraw/zinc/45/58/82/1329455882.db2.gz GZRWPWIAPJWZFF-CJNGLKHVSA-N 0 0 328.412 3.152 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@]12CCc1ccccc12 ZINC000862027375 1329456088 /nfs/dbraw/zinc/45/60/88/1329456088.db2.gz PXMVFLHLUXFEEJ-GCJKJVERSA-N 0 0 344.414 3.461 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCCC34CC4)C2)cc1 ZINC000862035305 1329456374 /nfs/dbraw/zinc/45/63/74/1329456374.db2.gz PUEHHVYYAAMAMR-MAUKXSAKSA-N 0 0 328.456 3.218 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)cc1 ZINC000862159348 1329463437 /nfs/dbraw/zinc/46/34/37/1329463437.db2.gz RGBZOMWETPAEIT-FHLIZLRMSA-N 0 0 342.464 3.255 10 10 EGCERN CCOC(=O)C1CCC(CC(=O)NCc2cc(C)ccc2O)CC1 ZINC000862755434 1329506713 /nfs/dbraw/zinc/50/67/13/1329506713.db2.gz SKDVLNYMTHEFKB-UHFFFAOYSA-N 0 0 333.428 3.076 10 10 EGCERN COc1cc(OC)c2c(c1)N(C(=O)/C(C)=C\c1cccnc1)CCC2 ZINC000862775863 1329508295 /nfs/dbraw/zinc/50/82/95/1329508295.db2.gz OGQKIORFCOEQPV-UVTDQMKNSA-N 0 0 338.407 3.482 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863241255 1329538394 /nfs/dbraw/zinc/53/83/94/1329538394.db2.gz GSMWEFKACFXXEM-OEMOHAQNSA-N 0 0 335.403 3.373 10 10 EGCERN CO[C@H]1C[C@@H](CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000863770859 1329580029 /nfs/dbraw/zinc/58/00/29/1329580029.db2.gz DXPJTPUMIRXVIM-UWUNEBHHSA-N 0 0 326.440 3.178 10 10 EGCERN O=C1CN(Cc2ccccc2O)C(=O)N1c1ccc(C2CC2)cc1F ZINC000864576117 1329627436 /nfs/dbraw/zinc/62/74/36/1329627436.db2.gz WDRBTBYFSJIPOP-UHFFFAOYSA-N 0 0 340.354 3.378 10 10 EGCERN CCN(CC)c1ccc(CN2C(=O)N3C4CCC3(CC4)C2=O)cc1F ZINC000865300297 1329684896 /nfs/dbraw/zinc/68/48/96/1329684896.db2.gz ABSNTIOCWVGNSK-UHFFFAOYSA-N 0 0 345.418 3.131 10 10 EGCERN COC(=O)c1ccc(C(F)(F)F)nc1N1Cc2cccc(O)c2C1 ZINC000866117268 1330067010 /nfs/dbraw/zinc/06/70/10/1330067010.db2.gz JNNKYTWIJCTSMB-UHFFFAOYSA-N 0 0 338.285 3.113 10 10 EGCERN COC(=O)c1cnc(N2Cc3cccc(O)c3C2)cc1C(F)(F)F ZINC000866117300 1330067052 /nfs/dbraw/zinc/06/70/52/1330067052.db2.gz KGOZSBNYHBFWFY-UHFFFAOYSA-N 0 0 338.285 3.113 10 10 EGCERN C[C@@H](NC(=O)NC[C@@H]1CSc2ccccc2O1)c1ccccc1O ZINC000868733288 1330326500 /nfs/dbraw/zinc/32/65/00/1330326500.db2.gz XXFVLEDHNSJCIP-CHWSQXEVSA-N 0 0 344.436 3.306 10 10 EGCERN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCC[C@@H]1F ZINC000868921546 1330374360 /nfs/dbraw/zinc/37/43/60/1330374360.db2.gz SPHYXJVXUZFOLZ-NWDGAFQWSA-N 0 0 345.212 3.235 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccnc(F)c2)cc1 ZINC000868952651 1330380395 /nfs/dbraw/zinc/38/03/95/1330380395.db2.gz LVNDDDWNIPCWQB-UHFFFAOYSA-N 0 0 344.434 3.409 10 10 EGCERN Cc1cnc(C)nc1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001325088958 1387897189 /nfs/dbraw/zinc/89/71/89/1387897189.db2.gz ICCXMDIIYQMPQR-OKILXGFUSA-N 0 0 344.434 3.458 10 10 EGCERN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001125256904 1372764396 /nfs/dbraw/zinc/76/43/96/1372764396.db2.gz PCDFCHPBCLYCSV-UZLBHIALSA-N 0 0 348.462 3.495 10 10 EGCERN CCN(CCOC)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001128863860 1373317924 /nfs/dbraw/zinc/31/79/24/1373317924.db2.gz GZCCDXMFIKRWGW-UHFFFAOYSA-N 0 0 344.455 3.024 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)[C@H](C)OC)CCCC1 ZINC001129364901 1373375421 /nfs/dbraw/zinc/37/54/21/1373375421.db2.gz FYQGAJUFUXHLBX-KGLIPLIRSA-N 0 0 344.455 3.068 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)NCCC(C)(C)OC)ccc21 ZINC001132486451 1375419666 /nfs/dbraw/zinc/41/96/66/1375419666.db2.gz MAPXBYABDUJWDO-UHFFFAOYSA-N 0 0 346.471 3.449 10 10 EGCERN CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001230194652 1375964889 /nfs/dbraw/zinc/96/48/89/1375964889.db2.gz DGGHZOGCAXCXSD-FTRWYGJKSA-N 0 0 349.519 3.088 10 10 EGCERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1(C)C ZINC001230822112 1376158626 /nfs/dbraw/zinc/15/86/26/1376158626.db2.gz QTCNTQUGBNPKDY-UYHISHBKSA-N 0 0 346.471 3.130 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccc2c[nH]nc2c1 ZINC001136025344 1377302949 /nfs/dbraw/zinc/30/29/49/1377302949.db2.gz GVBWNBVFWZYEDU-UHFFFAOYSA-N 0 0 348.450 3.364 10 10 EGCERN CCCCC[C@@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001136705666 1377416304 /nfs/dbraw/zinc/41/63/04/1377416304.db2.gz WSNNHKMMCNMCDR-LJQANCHMSA-N 0 0 332.488 3.480 10 10 EGCERN CC[C@@H](C)[C@@H](O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137355605 1377531913 /nfs/dbraw/zinc/53/19/13/1377531913.db2.gz NTSBXGXCRLARKI-KUHUBIRLSA-N 0 0 328.456 3.160 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1CC(OC(C)(C)C)C1 ZINC001140198708 1378030655 /nfs/dbraw/zinc/03/06/55/1378030655.db2.gz PAXRSXSVJBVYGN-UHFFFAOYSA-N 0 0 340.460 3.478 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H](O)[C@@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001140863500 1378162474 /nfs/dbraw/zinc/16/24/74/1378162474.db2.gz PAAUCDIMUGGSRH-LPHOPBHVSA-N 0 0 326.440 3.306 10 10 EGCERN Cc1ccc(C(=O)NCC(F)(F)c2cccc(F)c2)c(O)c1O ZINC001146396226 1378834015 /nfs/dbraw/zinc/83/40/15/1378834015.db2.gz NKWKMXAOIXAMEM-UHFFFAOYSA-N 0 0 325.286 3.067 10 10 EGCERN CCc1ccc([C@@H](COC)NC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001147149525 1378976692 /nfs/dbraw/zinc/97/66/92/1378976692.db2.gz MMMZZRNRLUGNRI-CQSZACIVSA-N 0 0 344.371 3.122 10 10 EGCERN C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1nc2ccccc2s1 ZINC001150460712 1379555064 /nfs/dbraw/zinc/55/50/64/1379555064.db2.gz MXFLSENFLJRWNC-LLVKDONJSA-N 0 0 342.420 3.170 10 10 EGCERN O=C(NCc1ccccc1O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001150535872 1379564162 /nfs/dbraw/zinc/56/41/62/1379564162.db2.gz INEUHRNODJXPPO-UHFFFAOYSA-N 0 0 336.178 3.277 10 10 EGCERN O=C(NCc1ccccc1O)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001150537227 1379564258 /nfs/dbraw/zinc/56/42/58/1379564258.db2.gz YQYIEOHTEHEFCL-SFHVURJKSA-N 0 0 342.414 3.202 10 10 EGCERN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)c(C)n1-c1cnccn1 ZINC001151900923 1379813878 /nfs/dbraw/zinc/81/38/78/1379813878.db2.gz XZSWZDHTUGDHHI-ZDUSSCGKSA-N 0 0 336.395 3.081 10 10 EGCERN O=C(c1cccc(Br)c1F)N1Cc2cccc(O)c2C1 ZINC001152574281 1379950815 /nfs/dbraw/zinc/95/08/15/1379950815.db2.gz SKGNWAXMALTRJX-UHFFFAOYSA-N 0 0 336.160 3.450 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1cc2c(cncc2Cl)s1 ZINC001153885452 1380149512 /nfs/dbraw/zinc/14/95/12/1380149512.db2.gz ORVCHDCGMCHXTD-UHFFFAOYSA-N 0 0 334.784 3.291 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1ccncc1Oc1ccccc1 ZINC001153886083 1380149576 /nfs/dbraw/zinc/14/95/76/1380149576.db2.gz VQQNCTIZFWLSIO-UHFFFAOYSA-N 0 0 336.347 3.215 10 10 EGCERN CC[C@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001157010000 1380751634 /nfs/dbraw/zinc/75/16/34/1380751634.db2.gz XNYGMLRNHCIZKQ-MRXNPFEDSA-N 0 0 329.396 3.259 10 10 EGCERN COc1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1C ZINC001292850431 1382220349 /nfs/dbraw/zinc/22/03/49/1382220349.db2.gz ICQRRHFTRDXYSC-UHFFFAOYSA-N 0 0 340.383 3.438 10 10 EGCERN COC(=O)[C@@H](C)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001161552948 1382438427 /nfs/dbraw/zinc/43/84/27/1382438427.db2.gz GLUULURJUYMZLO-JOTVYFQTSA-N 0 0 341.363 3.026 10 10 EGCERN Cc1cc(Br)cc(C(=O)N(C)Cc2ccccc2O)c1N ZINC001294678637 1382482977 /nfs/dbraw/zinc/48/29/77/1382482977.db2.gz LUOOCCOLSDSQFU-UHFFFAOYSA-N 0 0 349.228 3.318 10 10 EGCERN COc1cc(Cl)c(Cl)cc1C(=O)NCc1ccc(O)cc1O ZINC001162278775 1382719224 /nfs/dbraw/zinc/71/92/24/1382719224.db2.gz LZSJOOYPSJVBDP-UHFFFAOYSA-N 0 0 342.178 3.343 10 10 EGCERN COc1ccc(O)c([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001162442610 1382759880 /nfs/dbraw/zinc/75/98/80/1382759880.db2.gz LJJMASHNOJUPFU-SECBINFHSA-N 0 0 328.328 3.358 10 10 EGCERN Cc1cc(CC(=O)N2CCCCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001163760011 1383118885 /nfs/dbraw/zinc/11/88/85/1383118885.db2.gz HCSJRBATZLUOJW-HXUWFJFHSA-N 0 0 340.467 3.400 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001163876529 1383132010 /nfs/dbraw/zinc/13/20/10/1383132010.db2.gz BKWOQQNNDADKOX-FMKPAKJESA-N 0 0 330.453 3.453 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1c[nH]c2cc(=O)ccc-2c1 ZINC001165507811 1383304532 /nfs/dbraw/zinc/30/45/32/1383304532.db2.gz HWKUVTSYULZKKT-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](O)C1CCCCC1 ZINC001299477894 1383539010 /nfs/dbraw/zinc/53/90/10/1383539010.db2.gz IBUPWZYZEWNHTL-KXBFYZLASA-N 0 0 332.488 3.049 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001299575279 1383574026 /nfs/dbraw/zinc/57/40/26/1383574026.db2.gz YSIUBYHPHXBHMG-UHFFFAOYSA-N 0 0 347.239 3.325 10 10 EGCERN Cc1cccc(O[C@H](C)C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001299721899 1383622909 /nfs/dbraw/zinc/62/29/09/1383622909.db2.gz UVVDPEZWTHARMJ-CQSZACIVSA-N 0 0 336.391 3.333 10 10 EGCERN CC(C)c1nnc(N(C)C2CC2)n1Cc1ccc2c(c1)CCCN2C ZINC001302571799 1383758904 /nfs/dbraw/zinc/75/89/04/1383758904.db2.gz XCHXJYMYJQMDKM-UHFFFAOYSA-N 0 0 339.487 3.431 10 10 EGCERN Cn1ncc(C(=O)NCc2c(O)ccc3ccccc32)c1C(F)(F)F ZINC001304089797 1383829033 /nfs/dbraw/zinc/82/90/33/1383829033.db2.gz LXUMCWWEVVQNGZ-UHFFFAOYSA-N 0 0 349.312 3.228 10 10 EGCERN COC(=O)c1cc(OCc2ccc(C)c([N+](=O)[O-])c2)ccc1N(C)C ZINC001307388660 1383981289 /nfs/dbraw/zinc/98/12/89/1383981289.db2.gz HEEMMYOIBUOPEV-UHFFFAOYSA-N 0 0 344.367 3.335 10 10 EGCERN CCOC(=O)c1cc(CN(CC2CC2)c2ccc(OC)cc2)on1 ZINC001307778157 1384029661 /nfs/dbraw/zinc/02/96/61/1384029661.db2.gz AONPJEDWOKSMAH-UHFFFAOYSA-N 0 0 330.384 3.277 10 10 EGCERN CC[C@H](C)[C@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001312729839 1384367229 /nfs/dbraw/zinc/36/72/29/1384367229.db2.gz BPAZVTKYHMHHPX-GMBSWORKSA-N 0 0 349.519 3.352 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@H](C)C3)C2)cc1 ZINC001312994065 1384384773 /nfs/dbraw/zinc/38/47/73/1384384773.db2.gz HTGDNBSMJVSIPB-HOTGVXAUSA-N 0 0 331.460 3.106 10 10 EGCERN C[C@@H]1CCC[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 ZINC001313028595 1384388152 /nfs/dbraw/zinc/38/81/52/1384388152.db2.gz JTJXLTPHWNKCNL-APWZRJJASA-N 0 0 345.487 3.386 10 10 EGCERN CCN(C)c1nnc(C(C)C)n1Cc1ccc2c(c1)CCCN2C ZINC001313561108 1384426299 /nfs/dbraw/zinc/42/62/99/1384426299.db2.gz MGVSTPQJTQTVKO-UHFFFAOYSA-N 0 0 327.476 3.288 10 10 EGCERN Cc1cccc(F)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001319211368 1386007111 /nfs/dbraw/zinc/00/71/11/1386007111.db2.gz LPHBYWDYMGOYEA-OAHLLOKOSA-N 0 0 342.414 3.462 10 10 EGCERN CCC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)OC ZINC001179346851 1386458631 /nfs/dbraw/zinc/45/86/31/1386458631.db2.gz GRQNJZHTTMPCBT-QGZVFWFLSA-N 0 0 328.412 3.166 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1cc2ccccc2[nH]c1=O ZINC001180409889 1386787558 /nfs/dbraw/zinc/78/75/58/1386787558.db2.gz HTRFHCRJAVRMFY-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC001339241161 1389955205 /nfs/dbraw/zinc/95/52/05/1389955205.db2.gz OLVGPXLGIRVFAP-ITDFMYJTSA-N 0 0 330.350 3.009 10 10 EGCERN CN(C)c1ccc(/C=C/CN[C@@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC001334909997 1390618555 /nfs/dbraw/zinc/61/85/55/1390618555.db2.gz WUPJQPHXBSLESS-APHBUQMISA-N 0 0 338.377 3.393 10 10 EGCERN O=C(NCCCSc1nccs1)NC1CC2(CC2(F)F)C1 ZINC001347272244 1391044440 /nfs/dbraw/zinc/04/44/40/1391044440.db2.gz WAMUTLASOGXDAN-UHFFFAOYSA-N 0 0 333.429 3.112 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccnc(OC2CCC2)c1 ZINC001348353879 1391209166 /nfs/dbraw/zinc/20/91/66/1391209166.db2.gz JLMSHEPZGDLQAN-UHFFFAOYSA-N 0 0 349.390 3.197 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC001353503971 1392025432 /nfs/dbraw/zinc/02/54/32/1392025432.db2.gz OCBSUOVSNLLCQL-INIZCTEOSA-N 0 0 348.487 3.373 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COc1ccc(F)cc1 ZINC001353912356 1392107731 /nfs/dbraw/zinc/10/77/31/1392107731.db2.gz YIOGFMRDHXZWMU-UHFFFAOYSA-N 0 0 342.414 3.463 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)cc1 ZINC001479329256 1392216661 /nfs/dbraw/zinc/21/66/61/1392216661.db2.gz ZIKCNDVZOIUVCO-LNMJFAINSA-N 0 0 345.487 3.065 10 10 EGCERN O=C(NCc1noc2ccc(F)cc12)NCc1cccc(Cl)c1O ZINC001687368577 1396354249 /nfs/dbraw/zinc/35/42/49/1396354249.db2.gz ULEGZFKWWFWHSI-UHFFFAOYSA-N 0 0 349.749 3.325 10 10 EGCERN COc1ccc(C[NH2+]C/C=C/CNC(=O)c2oc(C)cc2C)cc1C ZINC001732838020 1429003682 /nfs/dbraw/zinc/00/36/82/1429003682.db2.gz IDYOCLVWJYZXBN-AATRIKPKSA-N 0 0 342.439 3.289 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1CCc1ccsc1 ZINC001709038099 1417415981 /nfs/dbraw/zinc/41/59/81/1417415981.db2.gz CUAUVGORLBJRLK-UHFFFAOYSA-N 0 0 342.468 3.487 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N(CC)C2CC2)cc1 ZINC001710025444 1417460486 /nfs/dbraw/zinc/46/04/86/1417460486.db2.gz ZXAKNBMDFWWRQF-UHFFFAOYSA-N 0 0 327.476 3.470 10 10 EGCERN Cc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001726375123 1427052707 /nfs/dbraw/zinc/05/27/07/1427052707.db2.gz HFULHIUEXNMLSK-LSDHHAIUSA-N 0 0 339.487 3.252 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CC1(C)CC1 ZINC001729419572 1427166213 /nfs/dbraw/zinc/16/62/13/1427166213.db2.gz VDPCRYVRHRTAPV-UHFFFAOYSA-N 0 0 337.427 3.415 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2C[C@@H]3CCC[C@@H]32)cc1 ZINC001746086389 1439851636 /nfs/dbraw/zinc/85/16/36/1439851636.db2.gz LOSKRQLGBMQGGQ-HKUYNNGSSA-N 0 0 339.487 3.470 10 10 EGCERN Cc1cn2c(/C=C\C(=O)N3CCCc4ncccc43)c(C)nc2s1 ZINC000096948031 302321172 /nfs/dbraw/zinc/32/11/72/302321172.db2.gz UYQNNWHSLAIRJZ-FPLPWBNLSA-N 0 0 338.436 3.400 10 10 EGCERN CCOc1ccc(O)c(CN[C@H](C(=O)OC)c2ccc(F)c(C)c2)c1 ZINC000189604321 455222470 /nfs/dbraw/zinc/22/24/70/455222470.db2.gz GNGZUEFWZXCLBW-SFHVURJKSA-N 0 0 347.386 3.242 10 10 EGCERN O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccc(O)c(O)c1 ZINC000180736670 455236830 /nfs/dbraw/zinc/23/68/30/455236830.db2.gz BWYZUNYHKBJSDM-UHFFFAOYSA-N 0 0 331.334 3.473 10 10 EGCERN Cc1csc([C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n1 ZINC000180823934 455252009 /nfs/dbraw/zinc/25/20/09/455252009.db2.gz SVXFAXFFDHDQHW-DYLGSBMWSA-N 0 0 344.436 3.282 10 10 EGCERN COc1cccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)c1OC ZINC000000082709 452502945 /nfs/dbraw/zinc/50/29/45/452502945.db2.gz LJWIPOLNKKCOQT-GQVHDAKQSA-N 0 0 346.452 3.406 10 10 EGCERN Cc1cc(C(=O)C(=O)Nc2nnc(C)s2)c(C)n1-c1ccccc1 ZINC000006780856 452986759 /nfs/dbraw/zinc/98/67/59/452986759.db2.gz PKHXXZABHYGEPR-UHFFFAOYSA-N 0 0 340.408 3.075 10 10 EGCERN O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCC(=O)CC1 ZINC000012565133 453376125 /nfs/dbraw/zinc/37/61/25/453376125.db2.gz QSKALNZZFRIPFJ-JXMROGBWSA-N 0 0 326.440 3.272 10 10 EGCERN CN(C)c1ccc([C@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN23)cc1 ZINC000075403010 453890912 /nfs/dbraw/zinc/89/09/12/453890912.db2.gz BONOHCDZWITKNP-RBUKOAKNSA-N 0 0 339.414 3.402 10 10 EGCERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000053916179 453900677 /nfs/dbraw/zinc/90/06/77/453900677.db2.gz HFWTXZSUFFEUHJ-CXAGYDPISA-N 0 0 338.407 3.259 10 10 EGCERN CN(Cc1ccccc1O)C(=O)Cn1c2ccccc2nc1C1CC1 ZINC000069618546 454125769 /nfs/dbraw/zinc/12/57/69/454125769.db2.gz VDSZWNBXCCTOOP-UHFFFAOYSA-N 0 0 335.407 3.278 10 10 EGCERN COc1ccc(N2CCN([C@@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 ZINC000058158580 454166674 /nfs/dbraw/zinc/16/66/74/454166674.db2.gz XVRSSYDVQSRDDB-AWEZNQCLSA-N 0 0 344.459 3.259 10 10 EGCERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 ZINC000095956830 454238375 /nfs/dbraw/zinc/23/83/75/454238375.db2.gz PYWRJJILAQUFHH-SFHVURJKSA-N 0 0 340.423 3.192 10 10 EGCERN COc1ccc2c(c1)CCN2CC(=O)Nc1ccnn1C1CCCC1 ZINC000058943644 454246934 /nfs/dbraw/zinc/24/69/34/454246934.db2.gz SMQCUKSWFATMRF-UHFFFAOYSA-N 0 0 340.427 3.008 10 10 EGCERN COc1cccc(CNC(=O)Nc2ccc3c(c2)CCCN3C)c1O ZINC000105020646 454617125 /nfs/dbraw/zinc/61/71/25/454617125.db2.gz FQTHTGLSCNRAIT-UHFFFAOYSA-N 0 0 341.411 3.105 10 10 EGCERN CCOc1ccc(O)c(CN2CCO[C@@H](c3cccc(OC)c3)C2)c1 ZINC000093080310 454679011 /nfs/dbraw/zinc/67/90/11/454679011.db2.gz PHCXYZBDHIVUKZ-HXUWFJFHSA-N 0 0 343.423 3.373 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3ccc(-c4ncon4)cc3)ccc21 ZINC000107135550 454743851 /nfs/dbraw/zinc/74/38/51/454743851.db2.gz XJQDOSMBFKYJGR-UHFFFAOYSA-N 0 0 348.406 3.049 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1COc2ccccc21 ZINC000108929750 454816949 /nfs/dbraw/zinc/81/69/49/454816949.db2.gz MJUHXVRNNMXBIN-INIZCTEOSA-N 0 0 326.396 3.448 10 10 EGCERN CCOc1cccc(CCNC(=O)N(C)Cc2ccccc2O)c1 ZINC000155506668 455010215 /nfs/dbraw/zinc/01/02/15/455010215.db2.gz FRVCFUKQVPQFFI-UHFFFAOYSA-N 0 0 328.412 3.175 10 10 EGCERN Cc1scc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000179666055 455065002 /nfs/dbraw/zinc/06/50/02/455065002.db2.gz MZWQAEHZUIWFHV-UHFFFAOYSA-N 0 0 344.480 3.474 10 10 EGCERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172107395 455122885 /nfs/dbraw/zinc/12/28/85/455122885.db2.gz UXWYAHKHKLONAB-FOIQADDNSA-N 0 0 336.435 3.468 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2cnccn2)c(C)n1-c1ccccc1C ZINC000172157629 455129771 /nfs/dbraw/zinc/12/97/71/455129771.db2.gz ZBCAPRZFAYTGSZ-UHFFFAOYSA-N 0 0 334.423 3.465 10 10 EGCERN CN(Cc1nc2c(s1)CCCC2)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181155205 455295426 /nfs/dbraw/zinc/29/54/26/455295426.db2.gz SMQUCNFUNQPJON-VQHVLOKHSA-N 0 0 344.436 3.105 10 10 EGCERN COc1cc(O)c(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1OC ZINC000245537338 455324143 /nfs/dbraw/zinc/32/41/43/455324143.db2.gz IWEORCTWEHALLY-SGTLLEGYSA-N 0 0 349.452 3.433 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3cc(C(C)C)on3)CC2)cc1 ZINC000266365186 455428051 /nfs/dbraw/zinc/42/80/51/455428051.db2.gz HSTFKNWDXJMEEB-UHFFFAOYSA-N 0 0 344.415 3.161 10 10 EGCERN CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000175506687 455455357 /nfs/dbraw/zinc/45/53/57/455455357.db2.gz OSTVTSPOOWLYJL-ZFWWWQNUSA-N 0 0 348.443 3.044 10 10 EGCERN COc1ccc(O)c([C@H](C)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000192929294 455720540 /nfs/dbraw/zinc/72/05/40/455720540.db2.gz OEWCLKZUCFMNGH-LBPRGKRZSA-N 0 0 326.396 3.466 10 10 EGCERN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCOCC2 ZINC000186455155 455772931 /nfs/dbraw/zinc/77/29/31/455772931.db2.gz NNBNDNHPXLDUNT-LSDHHAIUSA-N 0 0 325.836 3.109 10 10 EGCERN COc1cc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC ZINC000278938297 455853696 /nfs/dbraw/zinc/85/36/96/455853696.db2.gz XHBCVYKCGHIIET-UHFFFAOYSA-N 0 0 348.355 3.247 10 10 EGCERN CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1[O-] ZINC000285494288 455856877 /nfs/dbraw/zinc/85/68/77/455856877.db2.gz CFMWDKZBGLKVOK-HOCLYGCPSA-N 0 0 330.407 3.031 10 10 EGCERN O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000296116088 455869392 /nfs/dbraw/zinc/86/93/92/455869392.db2.gz RQZOYSQOCSJZCC-LLVKDONJSA-N 0 0 347.308 3.432 10 10 EGCERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(O)c1O ZINC000188382982 456054201 /nfs/dbraw/zinc/05/42/01/456054201.db2.gz LFRLTYBKCKPQMI-MRXNPFEDSA-N 0 0 327.380 3.090 10 10 EGCERN COCC[C@H]1CCCCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000364155890 457504116 /nfs/dbraw/zinc/50/41/16/457504116.db2.gz UMIKKFXSCVVIFN-CYBMUJFWSA-N 0 0 338.404 3.255 10 10 EGCERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)c(O)c1O ZINC000367980633 458002464 /nfs/dbraw/zinc/00/24/64/458002464.db2.gz GEWWHNSOBOGRKG-CYBMUJFWSA-N 0 0 343.383 3.034 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4C[C@H]3CS4)ccc21 ZINC000458319040 458011209 /nfs/dbraw/zinc/01/12/09/458011209.db2.gz KBPGGSGGRAWIAH-HOTGVXAUSA-N 0 0 344.480 3.234 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000413534749 458303279 /nfs/dbraw/zinc/30/32/79/458303279.db2.gz RTBZBRWAOUQQLN-OXQOHEQNSA-N 0 0 340.398 3.363 10 10 EGCERN COC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000728862164 574779753 /nfs/dbraw/zinc/77/97/53/574779753.db2.gz YKOIGWJYTJADLJ-GOSISDBHSA-N 0 0 340.423 3.180 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000728979217 574790741 /nfs/dbraw/zinc/79/07/41/574790741.db2.gz CWHJZIYPXMKNKD-GTNSWQLSSA-N 0 0 329.421 3.295 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(cc2O)CCCC3)c1 ZINC000729534881 574869118 /nfs/dbraw/zinc/86/91/18/574869118.db2.gz FIRKDOBHJHQKEK-LBPRGKRZSA-N 0 0 341.407 3.476 10 10 EGCERN Cc1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)ncn1 ZINC000732030969 575232462 /nfs/dbraw/zinc/23/24/62/575232462.db2.gz VNKICRSZMGHAIQ-UHFFFAOYSA-N 0 0 334.370 3.467 10 10 EGCERN C[C@H]1CN(C(=O)/C=C\c2cnc3ccccc3n2)c2ccccc2O1 ZINC000732035211 575232658 /nfs/dbraw/zinc/23/26/58/575232658.db2.gz QPQBXVZIQQEVSX-BMSUMIBZSA-N 0 0 331.375 3.457 10 10 EGCERN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000733801155 575398079 /nfs/dbraw/zinc/39/80/79/575398079.db2.gz FICUCOMOXICHBP-CVEARBPZSA-N 0 0 345.487 3.462 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000734687662 575537236 /nfs/dbraw/zinc/53/72/36/575537236.db2.gz OQIYCPARKUZIOV-UHFFFAOYSA-N 0 0 346.862 3.451 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000736214077 575915726 /nfs/dbraw/zinc/91/57/26/575915726.db2.gz AYQXDYAAXVDKEE-GFCCVEGCSA-N 0 0 346.374 3.199 10 10 EGCERN CCc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)no1 ZINC000740463034 576584684 /nfs/dbraw/zinc/58/46/84/576584684.db2.gz FKFQUMQWWXFBBX-UHFFFAOYSA-N 0 0 346.456 3.112 10 10 EGCERN [O-]c1c(Br)cccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000005800030 1291035362 /nfs/dbraw/zinc/03/53/62/1291035362.db2.gz ZZTXACHTNUVJES-UHFFFAOYSA-N 0 0 347.256 3.477 10 10 EGCERN CC(=O)Nc1ccc2nc(NC(=O)Cc3ccc(N)cc3)sc2c1 ZINC000071700949 1292267694 /nfs/dbraw/zinc/26/76/94/1292267694.db2.gz FAQPCQQHLUGKEU-UHFFFAOYSA-N 0 0 340.408 3.018 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2c[nH]c3cccc(F)c23)cc1F ZINC000090467995 1292795041 /nfs/dbraw/zinc/79/50/41/1292795041.db2.gz ZSEFDFZHTYFRKY-UHFFFAOYSA-N 0 0 329.350 3.442 10 10 EGCERN Cc1cc(F)c(C(=O)Nc2cccc(N3CCOCC3)c2)cc1F ZINC000127864254 1293575432 /nfs/dbraw/zinc/57/54/32/1293575432.db2.gz OYKJJQFAIWBZTG-UHFFFAOYSA-N 0 0 332.350 3.362 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000131589797 1293695057 /nfs/dbraw/zinc/69/50/57/1293695057.db2.gz PDVDOBPLWMPINF-RDJZCZTQSA-N 0 0 330.378 3.451 10 10 EGCERN O=C1N=C(NC2CCCCC2)SC1=Cc1cnn2ccccc12 ZINC000171736595 1294416061 /nfs/dbraw/zinc/41/60/61/1294416061.db2.gz FESVEMIXDKWPHL-GDNBJRDFSA-N 0 0 326.425 3.227 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000176513337 1294612055 /nfs/dbraw/zinc/61/20/55/1294612055.db2.gz QNNAWJKZHCSTDU-QZTJIDSGSA-N 0 0 325.456 3.394 10 10 EGCERN CO[C@@H]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000188281790 1295448166 /nfs/dbraw/zinc/44/81/66/1295448166.db2.gz VYVHQEBOXLQGAN-FUHWJXTLSA-N 0 0 337.423 3.263 10 10 EGCERN COc1ccc(N2CCN(Cc3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000194301608 1295967173 /nfs/dbraw/zinc/96/71/73/1295967173.db2.gz NOUSHSGYLUVVLW-UHFFFAOYSA-N 0 0 343.377 3.167 10 10 EGCERN O=C(N1Cc2cccc(O)c2C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000871201156 1296270349 /nfs/dbraw/zinc/27/03/49/1296270349.db2.gz QMEAESXNSXKPPZ-UHFFFAOYSA-N 0 0 341.382 3.122 10 10 EGCERN C[C@H](Cc1cnc2ccccc2n1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204427 1296271127 /nfs/dbraw/zinc/27/11/27/1296271127.db2.gz DSXDBAQGHOCPQY-CYBMUJFWSA-N 0 0 333.391 3.056 10 10 EGCERN COc1ccc(C[C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000871205344 1296272987 /nfs/dbraw/zinc/27/29/87/1296272987.db2.gz YYNMCVSIOLYOIW-ZDUSSCGKSA-N 0 0 341.407 3.130 10 10 EGCERN Oc1ccc(Br)cc1CN1CCc2nc[nH]c2C12CCC2 ZINC000585117364 1298029587 /nfs/dbraw/zinc/02/95/87/1298029587.db2.gz ZKRQOSHLADIPFN-UHFFFAOYSA-N 0 0 348.244 3.315 10 10 EGCERN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289247 1303422648 /nfs/dbraw/zinc/42/26/48/1303422648.db2.gz QVIWCQITVKFDSZ-GFCCVEGCSA-N 0 0 326.234 3.204 10 10 EGCERN CC[N@H+](Cc1c2c(nn1C)CCSC2)Cc1ccc(N(C)C)cc1 ZINC000893871261 1306106746 /nfs/dbraw/zinc/10/67/46/1306106746.db2.gz HRWXNVFDSKLTRY-UHFFFAOYSA-N 0 0 344.528 3.298 10 10 EGCERN Cc1cc(N(C)C)ccc1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895559251 1309401657 /nfs/dbraw/zinc/40/16/57/1309401657.db2.gz JAPHNANTEGKQFA-UHFFFAOYSA-N 0 0 338.377 3.292 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)C(C)(C)n2cnc(C)c2)cc1 ZINC000895778655 1309514099 /nfs/dbraw/zinc/51/40/99/1309514099.db2.gz CCSZHAZBTDSSDH-UHFFFAOYSA-N 0 0 328.460 3.089 10 10 EGCERN CC(C)Cn1ccnc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895990276 1309633495 /nfs/dbraw/zinc/63/34/95/1309633495.db2.gz IHOFVFOHOTXLBA-UHFFFAOYSA-N 0 0 331.397 3.417 10 10 EGCERN C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 ZINC000895991584 1309636695 /nfs/dbraw/zinc/63/66/95/1309636695.db2.gz WESXSUFLXAAUGW-APPZFPTMSA-N 0 0 329.381 3.411 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)CCc1ccc(OC)nc1 ZINC000896059235 1309679196 /nfs/dbraw/zinc/67/91/96/1309679196.db2.gz UVAQBKTXAHGGQJ-UHFFFAOYSA-N 0 0 328.412 3.167 10 10 EGCERN COC1CCC(N(C)C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896389711 1309835916 /nfs/dbraw/zinc/83/59/16/1309835916.db2.gz GQDKQJLNLGZDLU-UHFFFAOYSA-N 0 0 335.425 3.342 10 10 EGCERN COCCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 ZINC000896985439 1310121685 /nfs/dbraw/zinc/12/16/85/1310121685.db2.gz JRIPYRQVAOAUEY-UHFFFAOYSA-N 0 0 335.425 3.344 10 10 EGCERN CC(C)(C)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1O ZINC000897316020 1310286788 /nfs/dbraw/zinc/28/67/88/1310286788.db2.gz QDWXEMSYGMCLKK-FZMZJTMJSA-N 0 0 349.452 3.182 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([C@H]2CCCO2)CC1 ZINC000897504552 1310352690 /nfs/dbraw/zinc/35/26/90/1310352690.db2.gz JJISVCWMDJRKFO-OAHLLOKOSA-N 0 0 347.436 3.344 10 10 EGCERN CCOC1(C)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897820222 1310480104 /nfs/dbraw/zinc/48/01/04/1310480104.db2.gz LUKLWNUDZHUAOE-UHFFFAOYSA-N 0 0 335.425 3.344 10 10 EGCERN CCCc1nc(C)c(CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 ZINC000897831334 1310482328 /nfs/dbraw/zinc/48/23/28/1310482328.db2.gz JIFBQPKKXLUQRJ-UHFFFAOYSA-N 0 0 346.408 3.491 10 10 EGCERN C[C@@]1(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(F)F ZINC000898781818 1310842602 /nfs/dbraw/zinc/84/26/02/1310842602.db2.gz FOJQDDBFIJUMJM-CQSZACIVSA-N 0 0 327.352 3.478 10 10 EGCERN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000898883882 1310861805 /nfs/dbraw/zinc/86/18/05/1310861805.db2.gz AMKCJKZSNKHJDL-ZWNOBZJWSA-N 0 0 339.233 3.309 10 10 EGCERN O=C(NC[C@@H]1CCC2(CCC2)O1)c1cc2cc(O)c(O)cc2s1 ZINC000899229036 1310988761 /nfs/dbraw/zinc/98/87/61/1310988761.db2.gz OTWMKYYVJKHZCW-NSHDSACASA-N 0 0 333.409 3.144 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000929406668 1328590130 /nfs/dbraw/zinc/59/01/30/1328590130.db2.gz WYWNWLKVLMNZDW-GJZGRUSLSA-N 0 0 344.377 3.259 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858022221 1328662692 /nfs/dbraw/zinc/66/26/92/1328662692.db2.gz MVDABDAYOBUYQA-OAHLLOKOSA-N 0 0 344.436 3.410 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)c(C)n1-c1ccccn1 ZINC000899622597 1317116366 /nfs/dbraw/zinc/11/63/66/1317116366.db2.gz LJLLZOUGWFRGSO-AEFFLSMTSA-N 0 0 339.439 3.130 10 10 EGCERN CCn1ncc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000858205836 1328711198 /nfs/dbraw/zinc/71/11/98/1328711198.db2.gz DSXNKHLPVFHOCV-UHFFFAOYSA-N 0 0 347.466 3.151 10 10 EGCERN CC[C@@](O)(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000929973143 1328753665 /nfs/dbraw/zinc/75/36/65/1328753665.db2.gz WYGHRBCXBAALLB-GDBMZVCRSA-N 0 0 347.377 3.077 10 10 EGCERN CC[C@@](O)(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000929973144 1328753927 /nfs/dbraw/zinc/75/39/27/1328753927.db2.gz WYGHRBCXBAALLB-GOEBONIOSA-N 0 0 347.377 3.077 10 10 EGCERN CC[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858435397 1328762025 /nfs/dbraw/zinc/76/20/25/1328762025.db2.gz HJOCPSFPLXJKPR-CHWSQXEVSA-N 0 0 344.242 3.207 10 10 EGCERN C[C@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858447536 1328764796 /nfs/dbraw/zinc/76/47/96/1328764796.db2.gz VVMFWQPVFDRLBW-KPZWWZAWSA-N 0 0 344.367 3.181 10 10 EGCERN CC(C)c1nsc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000930209458 1328812506 /nfs/dbraw/zinc/81/25/06/1328812506.db2.gz DOSDZIDIEROLJS-AWEZNQCLSA-N 0 0 346.500 3.349 10 10 EGCERN O=C1N[C@@H](c2cc(Br)ccc2O)Nc2cc(F)ccc21 ZINC000917499342 1319822077 /nfs/dbraw/zinc/82/20/77/1319822077.db2.gz DGVZJSBNJFBWEB-ZDUSSCGKSA-N 0 0 337.148 3.148 10 10 EGCERN C[C@@H](NC(=O)[C@@H]1CCCC12CC2)c1ccc(N2CCOCC2)cc1 ZINC000858786509 1328860358 /nfs/dbraw/zinc/86/03/58/1328860358.db2.gz RESBTFWBQHJZAM-QAPCUYQASA-N 0 0 328.456 3.281 10 10 EGCERN Cc1cnc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000930745430 1328954721 /nfs/dbraw/zinc/95/47/21/1328954721.db2.gz XPNPHORPHBHWRK-MRXNPFEDSA-N 0 0 339.439 3.026 10 10 EGCERN CN(C)c1ccc(CN(C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000859385916 1328981026 /nfs/dbraw/zinc/98/10/26/1328981026.db2.gz YYZKVFPROHYNMF-UHFFFAOYSA-N 0 0 325.456 3.226 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000919802160 1322107783 /nfs/dbraw/zinc/10/77/83/1322107783.db2.gz LJRRZNPKDFCPLP-ALCCZGGFSA-N 0 0 330.340 3.319 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC000930905750 1329002902 /nfs/dbraw/zinc/00/29/02/1329002902.db2.gz OJKKHZWFCSGLMX-RTBURBONSA-N 0 0 330.472 3.449 10 10 EGCERN CCN(CC(=O)Nc1ccccc1OC)c1ccc(OC)c(OC)c1 ZINC000921061014 1322250241 /nfs/dbraw/zinc/25/02/41/1322250241.db2.gz JOEFULBDDKBZLV-UHFFFAOYSA-N 0 0 344.411 3.177 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922951431 1322658696 /nfs/dbraw/zinc/65/86/96/1322658696.db2.gz WWHVJTONMMRGMH-CQSZACIVSA-N 0 0 345.270 3.042 10 10 EGCERN CO[C@H]1CCOc2c(NC(=O)NCc3c(O)cccc3F)cccc21 ZINC000931160252 1329063938 /nfs/dbraw/zinc/06/39/38/1329063938.db2.gz NMMBGQNADNZRAE-INIZCTEOSA-N 0 0 346.358 3.323 10 10 EGCERN COC(=O)/C=C/c1ccc(N(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000931308026 1329090195 /nfs/dbraw/zinc/09/01/95/1329090195.db2.gz QUUQBVSKXGLPAH-RMKNXTFCSA-N 0 0 330.340 3.319 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926630191 1327642137 /nfs/dbraw/zinc/64/21/37/1327642137.db2.gz TZEANURIIADJQB-JQHSSLGASA-N 0 0 344.455 3.295 10 10 EGCERN CCO[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])CN(C)C ZINC000926964231 1327800206 /nfs/dbraw/zinc/80/02/06/1327800206.db2.gz WSBVFWPXQHKYHK-VXGBXAGGSA-N 0 0 334.382 3.028 10 10 EGCERN CCO[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN(C)C ZINC000926964228 1327800841 /nfs/dbraw/zinc/80/08/41/1327800841.db2.gz WSBVFWPXQHKYHK-RYUDHWBXSA-N 0 0 334.382 3.028 10 10 EGCERN CC[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000926983105 1327807808 /nfs/dbraw/zinc/80/78/08/1327807808.db2.gz VCZWJDBSWLJDIB-JOYOIKCWSA-N 0 0 331.243 3.266 10 10 EGCERN O=C(NCC[C@H]1OCCc2ccccc21)NCc1c(O)cccc1F ZINC000927672592 1328099375 /nfs/dbraw/zinc/09/93/75/1328099375.db2.gz FWKBLQRNNGDNHZ-GOSISDBHSA-N 0 0 344.386 3.035 10 10 EGCERN Cc1ccc(O)c(CNC(=O)Nc2cc3c([nH]c2=O)CCCC3)c1 ZINC000861189750 1329395888 /nfs/dbraw/zinc/39/58/88/1329395888.db2.gz VLJGDNDWJBOQLI-UHFFFAOYSA-N 0 0 327.384 3.002 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)cccc2F)nn1C1CCCCC1 ZINC000928707205 1328404467 /nfs/dbraw/zinc/40/44/67/1328404467.db2.gz CADXCKXPOQGALI-UHFFFAOYSA-N 0 0 331.391 3.471 10 10 EGCERN CCc1c(C(=O)NCc2c(O)cccc2F)cnn1C1CCCC1 ZINC000928707183 1328405107 /nfs/dbraw/zinc/40/51/07/1328405107.db2.gz BVWGEYBDKKHSPD-UHFFFAOYSA-N 0 0 331.391 3.335 10 10 EGCERN Cc1cc(C(=O)CCC(=O)NCc2c(O)cccc2F)c(C)s1 ZINC000928710259 1328406087 /nfs/dbraw/zinc/40/60/87/1328406087.db2.gz ROYKMQYOYBHFNE-UHFFFAOYSA-N 0 0 335.400 3.489 10 10 EGCERN COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2c(O)cccc2F)cc1 ZINC000928713069 1328407554 /nfs/dbraw/zinc/40/75/54/1328407554.db2.gz ZSZSEVZSQWPJKY-ZFWWWQNUSA-N 0 0 329.371 3.350 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@](C)(CO)C(C)C)c1 ZINC000861771403 1329440911 /nfs/dbraw/zinc/44/09/11/1329440911.db2.gz JSJYQIXGCPCROJ-FQEVSTJZSA-N 0 0 342.439 3.043 10 10 EGCERN CCN(C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)[C@@H]1CCOC1 ZINC000861792583 1329442085 /nfs/dbraw/zinc/44/20/85/1329442085.db2.gz WNBVWQSPGXJTGH-LJQANCHMSA-N 0 0 340.423 3.158 10 10 EGCERN CCc1ccc(NC(=O)C(=O)NCc2cc(C)ccc2O)cc1CC ZINC000862024922 1329455791 /nfs/dbraw/zinc/45/57/91/1329455791.db2.gz DZYJSGNRQIGLIU-UHFFFAOYSA-N 0 0 340.423 3.080 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000862027377 1329456082 /nfs/dbraw/zinc/45/60/82/1329456082.db2.gz PXMVFLHLUXFEEJ-XMSQKQJNSA-N 0 0 344.414 3.461 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(C)n1-c1cccc(C)c1 ZINC000863730373 1329578380 /nfs/dbraw/zinc/57/83/80/1329578380.db2.gz BXRZLHNTYOYBDX-PWIZWCRZSA-N 0 0 338.451 3.388 10 10 EGCERN O=C([O-])[C@H](CC1CCCC1)[NH2+]Cc1c(O)cccc1Br ZINC000864509596 1329620210 /nfs/dbraw/zinc/62/02/10/1329620210.db2.gz ODKWWGCRDUPDNJ-ZDUSSCGKSA-N 0 0 342.233 3.278 10 10 EGCERN C[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000865019700 1329662093 /nfs/dbraw/zinc/66/20/93/1329662093.db2.gz VGQWYORCBSQNLL-BMGDILEWSA-N 0 0 330.472 3.383 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(OC)c1C ZINC000865027120 1329662824 /nfs/dbraw/zinc/66/28/24/1329662824.db2.gz HPARMQPOKCJRRS-UHFFFAOYSA-N 0 0 327.428 3.127 10 10 EGCERN CCOc1ccc(CNc2nc(C3CCOCC3)ns2)c(O)c1 ZINC000865295014 1329684081 /nfs/dbraw/zinc/68/40/81/1329684081.db2.gz XQOLTFNIGQKYGM-UHFFFAOYSA-N 0 0 335.429 3.149 10 10 EGCERN COC(=O)c1cc(OCc2nnc(C(C)C)s2)ccc1N(C)C ZINC000865395512 1329691263 /nfs/dbraw/zinc/69/12/63/1329691263.db2.gz SYQQVPXGVGESOC-UHFFFAOYSA-N 0 0 335.429 3.093 10 10 EGCERN CC(=O)c1cccc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000865450479 1329699170 /nfs/dbraw/zinc/69/91/70/1329699170.db2.gz CCMVCUQRMDGMPA-UHFFFAOYSA-N 0 0 327.453 3.450 10 10 EGCERN Cn1nccc1-c1ccnc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000865562342 1329713751 /nfs/dbraw/zinc/71/37/51/1329713751.db2.gz DEODAKMQUVKQIO-UHFFFAOYSA-N 0 0 335.411 3.074 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000866205608 1330078090 /nfs/dbraw/zinc/07/80/90/1330078090.db2.gz GHPPISHRKWVAQJ-UHFFFAOYSA-N 0 0 346.818 3.046 10 10 EGCERN C[C@H](Nc1cnn2c1CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000866461606 1330115235 /nfs/dbraw/zinc/11/52/35/1330115235.db2.gz SDKMDLVWLODUCN-AWEZNQCLSA-N 0 0 344.434 3.368 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000866622955 1330134282 /nfs/dbraw/zinc/13/42/82/1330134282.db2.gz KNKLVPDHMMPABA-CXAGYDPISA-N 0 0 333.428 3.321 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)c2c(OC)ccc(F)c2OC)c1 ZINC000866763528 1330147624 /nfs/dbraw/zinc/14/76/24/1330147624.db2.gz FDEIEXDQHXXOBF-SNVBAGLBSA-N 0 0 349.358 3.048 10 10 EGCERN Cc1ccc(C)n1-c1ccc(-c2nc(CCCCC(N)=O)no2)cc1 ZINC000867068606 1330170490 /nfs/dbraw/zinc/17/04/90/1330170490.db2.gz CKQGIWSFNNLKNC-UHFFFAOYSA-N 0 0 338.411 3.342 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)Cc1cnn2c1CCCC2 ZINC000868108905 1330250229 /nfs/dbraw/zinc/25/02/29/1330250229.db2.gz AXRVDLFNFUGLFB-UHFFFAOYSA-N 0 0 341.455 3.296 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)NCc2ccnc(F)c2)cc1F ZINC000868228586 1330263376 /nfs/dbraw/zinc/26/33/76/1330263376.db2.gz FIVOLNKZLDUQCA-UHFFFAOYSA-N 0 0 348.397 3.205 10 10 EGCERN C[C@H](NC(=O)N[C@H]1CCc2ccccc2OC1)c1ccccc1O ZINC000868584618 1330296991 /nfs/dbraw/zinc/29/69/91/1330296991.db2.gz DCEZDCFPTHQWEJ-ZFWWWQNUSA-N 0 0 326.396 3.146 10 10 EGCERN CC[C@H](COCC(F)(F)F)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868661728 1330309464 /nfs/dbraw/zinc/30/94/64/1330309464.db2.gz DSESOMUMQVLRNA-WDEREUQCSA-N 0 0 334.338 3.110 10 10 EGCERN CCOC1CC2(C[C@@H]2C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000868890351 1330368017 /nfs/dbraw/zinc/36/80/17/1330368017.db2.gz RKNWXZMPAPYGIG-MMXVYOJRSA-N 0 0 344.499 3.313 10 10 EGCERN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3F)CC2)cc1 ZINC000868916933 1330372898 /nfs/dbraw/zinc/37/28/98/1330372898.db2.gz SHESPONOGKVDOH-ZWKOTPCHSA-N 0 0 349.450 3.244 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000869003103 1330393199 /nfs/dbraw/zinc/39/31/99/1330393199.db2.gz MOJLFBLKAVMFJV-PKOBYXMFSA-N 0 0 345.487 3.065 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2ccnn2C)cc1 ZINC000869175922 1330428773 /nfs/dbraw/zinc/42/87/73/1330428773.db2.gz LMGONWPRMITTHS-OAHLLOKOSA-N 0 0 343.475 3.169 10 10 EGCERN CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001324291290 1387583466 /nfs/dbraw/zinc/58/34/66/1387583466.db2.gz LIIDFBAHFLPWLL-OAHLLOKOSA-N 0 0 340.786 3.027 10 10 EGCERN COC(=O)c1cnc(NCc2ccc3cccnc3c2O)c(Cl)c1 ZINC001186756970 1388005540 /nfs/dbraw/zinc/00/55/40/1388005540.db2.gz HOTMULZMNCJKLW-UHFFFAOYSA-N 0 0 343.770 3.388 10 10 EGCERN COC(=O)/C=C\c1ccc(N2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001118865013 1371243183 /nfs/dbraw/zinc/24/31/83/1371243183.db2.gz WOXCIJFIOBNMLM-XQRVVYSFSA-N 0 0 340.326 3.407 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCCO2)cc1F ZINC001123493799 1372488960 /nfs/dbraw/zinc/48/89/60/1372488960.db2.gz AASGPTSJSSJMEF-ZWKOTPCHSA-N 0 0 349.450 3.135 10 10 EGCERN C[C@@H](NC(=O)NC[C@H]1OCc2ccccc21)c1ccc(N(C)C)cc1 ZINC001123529392 1372496166 /nfs/dbraw/zinc/49/61/66/1372496166.db2.gz OPGFBFMKRHTRIZ-AUUYWEPGSA-N 0 0 339.439 3.384 10 10 EGCERN Cc1cccc(C(=O)C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001124551284 1372711182 /nfs/dbraw/zinc/71/11/82/1372711182.db2.gz QFLDVGBEYAYFNF-UHFFFAOYSA-N 0 0 336.435 3.437 10 10 EGCERN Cc1cc(C)n2ccc(C(=O)Nc3c4nonc4ccc3Cl)c2n1 ZINC001128604196 1373296754 /nfs/dbraw/zinc/29/67/54/1373296754.db2.gz RHOGXQFBMSDOTD-UHFFFAOYSA-N 0 0 341.758 3.393 10 10 EGCERN C/C(=C\C(=O)N1CCc2cccc(C(F)(F)F)c21)c1cnccn1 ZINC001128776853 1373310377 /nfs/dbraw/zinc/31/03/77/1373310377.db2.gz CQJZVXOKYRBGGJ-PKNBQFBNSA-N 0 0 333.313 3.488 10 10 EGCERN COc1ncc(/C=C\C(=O)N2CCCc3ccc(F)c(Cl)c32)cn1 ZINC001130202272 1373473972 /nfs/dbraw/zinc/47/39/72/1373473972.db2.gz MGBPNBMKJRYKSJ-DAXSKMNVSA-N 0 0 347.777 3.270 10 10 EGCERN Cc1cc(CC(=O)N[C@]23C[C@H]2COC3(C)C)c(C)n1-c1ccccc1 ZINC001131219178 1373664421 /nfs/dbraw/zinc/66/44/21/1373664421.db2.gz JFYAYYBYCQERGV-LAUBAEHRSA-N 0 0 338.451 3.320 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001261655086 1377125534 /nfs/dbraw/zinc/12/55/34/1377125534.db2.gz LYIKEJZNOQBLDH-UPJWGTAASA-N 0 0 341.377 3.125 10 10 EGCERN COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1OC ZINC001135598623 1377158991 /nfs/dbraw/zinc/15/89/91/1377158991.db2.gz PIPFEBGTLDYGQI-UHFFFAOYSA-N 0 0 328.328 3.119 10 10 EGCERN Cc1cccc(OCCNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001135795142 1377213751 /nfs/dbraw/zinc/21/37/51/1377213751.db2.gz IDGSTJGCLLWPCA-UHFFFAOYSA-N 0 0 343.404 3.430 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CCCC[C@@H]1O ZINC001136025539 1377302865 /nfs/dbraw/zinc/30/28/65/1377302865.db2.gz OISLOUURTGOBJH-MJGOQNOKSA-N 0 0 330.472 3.186 10 10 EGCERN CCCCOCCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001136439711 1377393004 /nfs/dbraw/zinc/39/30/04/1377393004.db2.gz IULLGKMGKSVBLB-UHFFFAOYSA-N 0 0 342.439 3.453 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ncc(OC)cc2F)cc1F ZINC001136730428 1377418211 /nfs/dbraw/zinc/41/82/11/1377418211.db2.gz OYAFXVVOICKRBG-UHFFFAOYSA-N 0 0 349.381 3.145 10 10 EGCERN CC(C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)c1ccccc1 ZINC001141381856 1378314042 /nfs/dbraw/zinc/31/40/42/1378314042.db2.gz HNTGSIUXMDMQMV-UHFFFAOYSA-N 0 0 338.367 3.240 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cccc([C@@H]2CCOC2)c1 ZINC001142728406 1378482715 /nfs/dbraw/zinc/48/27/15/1378482715.db2.gz SEBKYCGHFNESBQ-GOSISDBHSA-N 0 0 348.402 3.374 10 10 EGCERN Cc1cccc(C(=O)C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC001142844042 1378493884 /nfs/dbraw/zinc/49/38/84/1378493884.db2.gz JTAJWNDIRNYUNM-UHFFFAOYSA-N 0 0 336.435 3.484 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(-c3ncon3)cc2)cc1 ZINC001143218721 1378562712 /nfs/dbraw/zinc/56/27/12/1378562712.db2.gz XRXQNCXIBUSKCD-UHFFFAOYSA-N 0 0 336.311 3.151 10 10 EGCERN Cc1ccc(-n2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)n2)cc1 ZINC001144259633 1378706350 /nfs/dbraw/zinc/70/63/50/1378706350.db2.gz DBECSHYVFKNFMF-UITAMQMPSA-N 0 0 335.363 3.244 10 10 EGCERN Cc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1-c1ccccc1 ZINC001146232420 1378800337 /nfs/dbraw/zinc/80/03/37/1378800337.db2.gz KTAZQDQBNNBBGQ-UHFFFAOYSA-N 0 0 341.798 3.470 10 10 EGCERN CO[C@@]1(C)C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001147881604 1379097039 /nfs/dbraw/zinc/09/70/39/1379097039.db2.gz MZZYFXGMDJKVOK-YOEHRIQHSA-N 0 0 335.425 3.246 10 10 EGCERN CCCCCOC1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001148760904 1379262371 /nfs/dbraw/zinc/26/23/71/1379262371.db2.gz IXGAYKMADDPETO-UHFFFAOYSA-N 0 0 335.425 3.344 10 10 EGCERN C[C@H](NC(=O)c1ccc(Br)cc1O)c1ccccc1O ZINC001151891868 1379811728 /nfs/dbraw/zinc/81/17/28/1379811728.db2.gz CDJIGAVXNJZRHF-VIFPVBQESA-N 0 0 336.185 3.351 10 10 EGCERN Cn1ccc([C@@H](NC(=O)C2=CC(=O)CS2)c2ccc(Cl)cc2)n1 ZINC001153788794 1380130219 /nfs/dbraw/zinc/13/02/19/1380130219.db2.gz YLCZNWVIDQWRPN-HNNXBMFYSA-N 0 0 347.827 3.360 10 10 EGCERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c(C)n1-c1ccccc1C ZINC001154846994 1380364158 /nfs/dbraw/zinc/36/41/58/1380364158.db2.gz HJPOKYBMJPFXEX-ZWKOTPCHSA-N 0 0 326.440 3.292 10 10 EGCERN Cc1cc(CNC(=O)[C@H]2C[C@@H](C)CO2)c(C)n1-c1cccc(C)c1 ZINC001287660266 1381318798 /nfs/dbraw/zinc/31/87/98/1381318798.db2.gz FCQPLIVDAAYUHA-AUUYWEPGSA-N 0 0 326.440 3.444 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001159041386 1381536310 /nfs/dbraw/zinc/53/63/10/1381536310.db2.gz KXWCHPPROOSILO-UONOGXRCSA-N 0 0 346.770 3.374 10 10 EGCERN COC(=O)c1ccc2c(c1)N(C(=O)/C(C)=C\c1cccnc1)CCC2 ZINC001289078106 1381975880 /nfs/dbraw/zinc/97/58/80/1381975880.db2.gz MUTYVKUUHIMVBT-KAMYIIQDSA-N 0 0 336.391 3.251 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@H](O)C2CCCCCCC2)cc1F ZINC001292282749 1382179115 /nfs/dbraw/zinc/17/91/15/1382179115.db2.gz OTERHYXZFIMVSJ-GOSISDBHSA-N 0 0 336.451 3.229 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001162127696 1382633250 /nfs/dbraw/zinc/63/32/50/1382633250.db2.gz FDKRGQKJAJUHKP-UHFFFAOYSA-N 0 0 325.364 3.188 10 10 EGCERN Cc1ccc(C)c(OCC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162606962 1382806398 /nfs/dbraw/zinc/80/63/98/1382806398.db2.gz BZLOXMWJJYQTMY-UHFFFAOYSA-N 0 0 336.391 3.252 10 10 EGCERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296796189 1383064988 /nfs/dbraw/zinc/06/49/88/1383064988.db2.gz URAJBPDGLOXHSP-CABCVRRESA-N 0 0 332.404 3.173 10 10 EGCERN COC(=O)C1(C)CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001299769974 1383626888 /nfs/dbraw/zinc/62/68/88/1383626888.db2.gz LRMGWCYYJJTDFM-UHFFFAOYSA-N 0 0 340.423 3.038 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1cnnc(-c2ccccc2)c1 ZINC001300396555 1383662026 /nfs/dbraw/zinc/66/20/26/1383662026.db2.gz YFTANFAQAJMIFP-UHFFFAOYSA-N 0 0 339.782 3.433 10 10 EGCERN Cc1cc(C(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC001301394538 1383712771 /nfs/dbraw/zinc/71/27/71/1383712771.db2.gz KZKSNUVDPFFREV-SAABIXHNSA-N 0 0 326.440 3.471 10 10 EGCERN Cc1cc(C(=O)NCCOCCF)c(C)n1-c1ccc(Cl)cc1 ZINC001301476788 1383716766 /nfs/dbraw/zinc/71/67/66/1383716766.db2.gz YTYGASBCYVDUMA-UHFFFAOYSA-N 0 0 338.810 3.463 10 10 EGCERN Cc1sc(-n2cccc2)c(C(=O)NCc2cc(O)ccc2O)c1C ZINC001303223172 1383787984 /nfs/dbraw/zinc/78/79/84/1383787984.db2.gz DBWTUZVKALPBKR-UHFFFAOYSA-N 0 0 342.420 3.497 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cccc(Oc2ccccn2)c1 ZINC001304053979 1383826187 /nfs/dbraw/zinc/82/61/87/1383826187.db2.gz YUQPJZSQZROWSO-UHFFFAOYSA-N 0 0 336.347 3.215 10 10 EGCERN CCc1nnc(N2CCC[C@@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001306174462 1383882494 /nfs/dbraw/zinc/88/24/94/1383882494.db2.gz UAGHKXWVPUVMRS-HNNXBMFYSA-N 0 0 339.487 3.260 10 10 EGCERN COc1ccc2c(c1)C[C@@H](CN(C)c1ccc(OC)c(OC)c1)O2 ZINC001307443161 1383991656 /nfs/dbraw/zinc/99/16/56/1383991656.db2.gz VDMZPPVSNRDFGI-INIZCTEOSA-N 0 0 329.396 3.152 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCn3nc(C(C)(C)C)cc3C2)c1O ZINC001308128498 1384097869 /nfs/dbraw/zinc/09/78/69/1384097869.db2.gz MIHBUEOQEDXZTE-UHFFFAOYSA-N 0 0 345.418 3.244 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](COC)C(C)C ZINC001313338107 1384411649 /nfs/dbraw/zinc/41/16/49/1384411649.db2.gz PIAQKAXTBOSQAY-KRWDZBQOSA-N 0 0 335.492 3.203 10 10 EGCERN CC(C)c1cccc(O[C@H](C)C(=O)NCc2cc(O)ccc2O)c1 ZINC001176748532 1385681312 /nfs/dbraw/zinc/68/13/12/1385681312.db2.gz VSTGTGRXGYJOEB-CYBMUJFWSA-N 0 0 329.396 3.305 10 10 EGCERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1O ZINC001319456304 1386129938 /nfs/dbraw/zinc/12/99/38/1386129938.db2.gz RHPMIIZLGSVHFV-HUUCEWRRSA-N 0 0 348.443 3.092 10 10 EGCERN COC(C)(C)c1nc(C)c(C(=O)NCc2c(O)cccc2F)s1 ZINC001178413167 1386210490 /nfs/dbraw/zinc/21/04/90/1386210490.db2.gz NVUDHRLPFNSUEH-UHFFFAOYSA-N 0 0 338.404 3.108 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@H](O)c2cccnc2)cc1 ZINC001180210379 1386734309 /nfs/dbraw/zinc/73/43/09/1386734309.db2.gz CLVPVLITVDOBHN-FQEVSTJZSA-N 0 0 349.434 3.295 10 10 EGCERN O=C(NCc1cnc(-c2ccccc2)s1)c1cccc(O)c1O ZINC001320990578 1386777291 /nfs/dbraw/zinc/77/72/91/1386777291.db2.gz DOIZRICIMZJGFQ-UHFFFAOYSA-N 0 0 326.377 3.151 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1cncnc1-c1ccccc1 ZINC001180410496 1386787770 /nfs/dbraw/zinc/78/77/70/1386787770.db2.gz QPOLZYLXYLBDOO-UHFFFAOYSA-N 0 0 339.782 3.433 10 10 EGCERN CC1(C)C(=O)Nc2ccc(C(=O)NCc3cccc(Cl)c3O)cc21 ZINC001180411342 1386788532 /nfs/dbraw/zinc/78/85/32/1386788532.db2.gz WSSFVZJYTNWSQG-UHFFFAOYSA-N 0 0 344.798 3.205 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCOC[C@H]1C ZINC001329987770 1389280490 /nfs/dbraw/zinc/28/04/90/1389280490.db2.gz ZUAIKFWXRHTXGD-ACJLOTCBSA-N 0 0 340.423 3.061 10 10 EGCERN CN1CCCc2cc(CNC(=O)N3CCC[C@H](CCF)C3)ccc21 ZINC001330046019 1389293599 /nfs/dbraw/zinc/29/35/99/1389293599.db2.gz OOYHQSKQQPGWOB-OAHLLOKOSA-N 0 0 333.451 3.350 10 10 EGCERN CC(C)CC[C@@](C)(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001338342429 1389644469 /nfs/dbraw/zinc/64/44/69/1389644469.db2.gz ZBZUZJQWIGLUSE-QGZVFWFLSA-N 0 0 337.441 3.230 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H](C)OCC[C@H]1C ZINC001340200988 1390248149 /nfs/dbraw/zinc/24/81/49/1390248149.db2.gz UUEPGGHBSWYJPV-BRWVUGGUSA-N 0 0 347.503 3.201 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001333785548 1390402464 /nfs/dbraw/zinc/40/24/64/1390402464.db2.gz UUCLYAJEYRLZIL-VNQPRFMTSA-N 0 0 337.414 3.328 10 10 EGCERN Cc1cnn(CC2CC2)c1NC(=O)NCc1cccc(Cl)c1O ZINC001334640840 1390563255 /nfs/dbraw/zinc/56/32/55/1390563255.db2.gz POTXSQNESOJPFP-UHFFFAOYSA-N 0 0 334.807 3.282 10 10 EGCERN C[C@@H](NC(=O)NCc1cc(Br)ccc1O)C1(C)CC1 ZINC001346654052 1390966542 /nfs/dbraw/zinc/96/65/42/1390966542.db2.gz CERJHSXPFSQSTH-SECBINFHSA-N 0 0 327.222 3.143 10 10 EGCERN COc1cccc(CNC(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)c1O ZINC001349743340 1391361496 /nfs/dbraw/zinc/36/14/96/1391361496.db2.gz HNJLVUGJILYJEU-IRXDYDNUSA-N 0 0 340.423 3.079 10 10 EGCERN CN1CCCc2cc(CNC(=O)c3cccc4c3COCC4)ccc21 ZINC001350612457 1391489692 /nfs/dbraw/zinc/48/96/92/1391489692.db2.gz IXSRRYXHJJNTJV-UHFFFAOYSA-N 0 0 336.435 3.072 10 10 EGCERN O=C(CCCOc1ccc2c(c1)CCC2)NCc1cccc(O)c1O ZINC001352657803 1391828970 /nfs/dbraw/zinc/82/89/70/1391828970.db2.gz LBCBLHJMEDZFSR-UHFFFAOYSA-N 0 0 341.407 3.062 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccc(OC(F)F)cn2)cc1 ZINC001355016802 1392185975 /nfs/dbraw/zinc/18/59/75/1392185975.db2.gz ZARDUUOOMJTBDH-UHFFFAOYSA-N 0 0 349.381 3.459 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC(F)(F)F ZINC001503489082 1396256545 /nfs/dbraw/zinc/25/65/45/1396256545.db2.gz JTSPQNGEJYJIGR-UHFFFAOYSA-N 0 0 340.349 3.135 10 10 EGCERN CC1(C)CC[C@@H](CCNC(=O)NCc2cc(Cl)ccc2O)OC1 ZINC001687735212 1396475421 /nfs/dbraw/zinc/47/54/21/1396475421.db2.gz JPTQGKTWLFGARE-AWEZNQCLSA-N 0 0 340.851 3.440 10 10 EGCERN CCc1nnc(N2C[C@@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001694661884 1406060446 /nfs/dbraw/zinc/06/04/46/1406060446.db2.gz JHQXQCGTNFQCNT-ZIAGYGMSSA-N 0 0 345.466 3.186 10 10 EGCERN CCN(C)c1nnc(C2CCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001709918241 1417455838 /nfs/dbraw/zinc/45/58/38/1417455838.db2.gz CYZYWWGPEBLJDK-UHFFFAOYSA-N 0 0 339.487 3.432 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N(C)OC)cc1 ZINC001710024747 1417460384 /nfs/dbraw/zinc/46/03/84/1417460384.db2.gz ZYMOOUCHUWETGN-UHFFFAOYSA-N 0 0 331.464 3.294 10 10 EGCERN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCCCCO ZINC001743567747 1439574227 /nfs/dbraw/zinc/57/42/27/1439574227.db2.gz WIUQBXOMDFISTJ-OAHLLOKOSA-N 0 0 346.475 3.296 10 10 EGCERN CCn1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cn1 ZINC000002798434 209916774 /nfs/dbraw/zinc/91/67/74/209916774.db2.gz VPIFJPHYWKLJCM-RIYZIHGNSA-N 0 0 329.450 3.304 10 10 EGCERN Cc1ccc(C)n1-c1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000040158218 213276109 /nfs/dbraw/zinc/27/61/09/213276109.db2.gz XGYCUTDRSYXBHB-UHFFFAOYSA-N 0 0 325.372 3.348 10 10 EGCERN CN(C)c1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(N)=S)cc1 ZINC000072413268 216205504 /nfs/dbraw/zinc/20/55/04/216205504.db2.gz KGSGJBBLHYDVQT-QGZVFWFLSA-N 0 0 342.443 3.286 10 10 EGCERN COc1ccc(N(CCC(N)=O)Cc2nc3ccccc3s2)cc1 ZINC000022012732 212269404 /nfs/dbraw/zinc/26/94/04/212269404.db2.gz ZMGAFXMLFFCZFC-UHFFFAOYSA-N 0 0 341.436 3.187 10 10 EGCERN Nc1ccc(COCC(=O)Nc2cccc(Br)c2)cc1 ZINC000019967334 212091744 /nfs/dbraw/zinc/09/17/44/212091744.db2.gz IHOMBTBOMIHGIT-UHFFFAOYSA-N 0 0 335.201 3.187 10 10 EGCERN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCc1cccnc1 ZINC000012410870 211371651 /nfs/dbraw/zinc/37/16/51/211371651.db2.gz YSCVXXTZFRXHCK-LGMDPLHJSA-N 0 0 338.386 3.397 10 10 EGCERN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)c(OC)c1 ZINC000089930407 217885620 /nfs/dbraw/zinc/88/56/20/217885620.db2.gz WCQGVODDLCMPBO-QGZVFWFLSA-N 0 0 340.379 3.107 10 10 EGCERN COc1ccc(C(=O)OCC2(C)COC2)cc1-n1c(C)ccc1C ZINC000097230545 219000603 /nfs/dbraw/zinc/00/06/03/219000603.db2.gz XVGWOUFTRHSQCP-UHFFFAOYSA-N 0 0 329.396 3.296 10 10 EGCERN Cc1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)N(C)C2=S)cc1 ZINC000033330421 292126811 /nfs/dbraw/zinc/12/68/11/292126811.db2.gz GHSFYFUWORAKEU-UVTDQMKNSA-N 0 0 342.445 3.230 10 10 EGCERN CCC(F)(F)C(C)(C)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000530207481 313496747 /nfs/dbraw/zinc/49/67/47/313496747.db2.gz LVEIYAVUJDRIGL-UHFFFAOYSA-N 0 0 340.370 3.228 10 10 EGCERN CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156482511 455123514 /nfs/dbraw/zinc/12/35/14/455123514.db2.gz FLQYCPPQOOLTCM-GXFFZTMASA-N 0 0 333.259 3.070 10 10 EGCERN COC[C@@H](O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000180658406 455220863 /nfs/dbraw/zinc/22/08/63/455220863.db2.gz UGMJCZMSGBTYFX-OAHLLOKOSA-N 0 0 344.436 3.291 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)NCCCCOCc1ccccc1 ZINC000180997360 455274667 /nfs/dbraw/zinc/27/46/67/455274667.db2.gz MZCDGPRXYDOOKQ-PKNBQFBNSA-N 0 0 341.407 3.224 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3C[C@H]3C)c2C)cc1 ZINC000002642874 452710124 /nfs/dbraw/zinc/71/01/24/452710124.db2.gz OWDRZYOENKSCLB-SJKOYZFVSA-N 0 0 341.407 3.485 10 10 EGCERN CC(=O)Nc1cccc(NC=C2C(C)=NN(c3ccccc3)C2=O)c1 ZINC000012550127 453371485 /nfs/dbraw/zinc/37/14/85/453371485.db2.gz RZABAWCPNSBBQB-PDGQHHTCSA-N 0 0 334.379 3.364 10 10 EGCERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N(C)Cc1ccccc1O ZINC000077528206 454118605 /nfs/dbraw/zinc/11/86/05/454118605.db2.gz NTVOTRXPINTXIW-INIZCTEOSA-N 0 0 326.396 3.284 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1nnn(-c2ccccc2)c1C1CC1 ZINC000058329897 454187620 /nfs/dbraw/zinc/18/76/20/454187620.db2.gz KRMNFXQOVNYDAJ-UHFFFAOYSA-N 0 0 348.406 3.123 10 10 EGCERN CCc1nc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000071825300 454225711 /nfs/dbraw/zinc/22/57/11/454225711.db2.gz CRGBNFQLIBSLQX-UHFFFAOYSA-N 0 0 349.475 3.096 10 10 EGCERN COc1ccc(N2CCC(N(C)Cc3nnc(C(C)C)o3)CC2)cc1 ZINC000072801400 454343222 /nfs/dbraw/zinc/34/32/22/454343222.db2.gz MXDQHWSIAVXCJJ-UHFFFAOYSA-N 0 0 344.459 3.302 10 10 EGCERN CCOC[C@H]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000072946289 454368285 /nfs/dbraw/zinc/36/82/85/454368285.db2.gz SRDVLDQXHGNDMU-HEWZJLJBSA-N 0 0 348.399 3.034 10 10 EGCERN O=c1cc(CN2CCC[C@H]2c2ccco2)c2cc(O)c(O)cc2o1 ZINC000097135201 454412802 /nfs/dbraw/zinc/41/28/02/454412802.db2.gz UEQYJDRAIXYLAS-ZDUSSCGKSA-N 0 0 327.336 3.134 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccsc3)C2)cc1 ZINC000133817805 454470258 /nfs/dbraw/zinc/47/02/58/454470258.db2.gz XOHISMDHJCLOSI-KRWDZBQOSA-N 0 0 345.468 3.097 10 10 EGCERN Cc1cc(C(=O)Nc2c[nH]ccc2=O)c(C)n1-c1ccccc1F ZINC000064458705 454482940 /nfs/dbraw/zinc/48/29/40/454482940.db2.gz KFHPEJPDWLBHMI-UHFFFAOYSA-N 0 0 325.343 3.174 10 10 EGCERN COc1ccc(N2CCCN(C(=O)c3nc(C)sc3C)CC2)cc1 ZINC000179180144 455017112 /nfs/dbraw/zinc/01/71/12/455017112.db2.gz GDTPXEPZXNGJRU-UHFFFAOYSA-N 0 0 345.468 3.121 10 10 EGCERN C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115655 455503903 /nfs/dbraw/zinc/50/39/03/455503903.db2.gz RPCPOJJVMMZYSG-NWDGAFQWSA-N 0 0 347.286 3.196 10 10 EGCERN O=C1C[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2[O-])CCN1 ZINC000179784288 455078638 /nfs/dbraw/zinc/07/86/38/455078638.db2.gz OBTIOBBULXRALS-MRXNPFEDSA-N 0 0 330.815 3.109 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2ccco2)cc1 ZINC000172026196 455110698 /nfs/dbraw/zinc/11/06/98/455110698.db2.gz XJOGFPICSYPJHE-GOSISDBHSA-N 0 0 341.455 3.141 10 10 EGCERN Cc1cc(C(=O)N2CCC([C@H](C)O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000265429245 455323103 /nfs/dbraw/zinc/32/31/03/455323103.db2.gz UUQVZWAZUMPRGZ-HNNXBMFYSA-N 0 0 344.430 3.466 10 10 EGCERN CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000190973965 455418093 /nfs/dbraw/zinc/41/80/93/455418093.db2.gz IGDVWTYLCQOJJO-SNVBAGLBSA-N 0 0 338.814 3.004 10 10 EGCERN CCOC(=O)c1csc(CC[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000191512518 455493428 /nfs/dbraw/zinc/49/34/28/455493428.db2.gz GNGFAOQDURAKGY-UHFFFAOYSA-N 0 0 340.832 3.011 10 10 EGCERN C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000185170482 455514909 /nfs/dbraw/zinc/51/49/09/455514909.db2.gz QOFGRRHGIKRCDA-NWDGAFQWSA-N 0 0 337.416 3.347 10 10 EGCERN O=C1[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000191807337 455521965 /nfs/dbraw/zinc/52/19/65/455521965.db2.gz VJKLREGZGRQEQU-MRXNPFEDSA-N 0 0 348.805 3.075 10 10 EGCERN COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000248530507 455719168 /nfs/dbraw/zinc/71/91/68/455719168.db2.gz XLQXMUSSKWUIDE-QMIHWGKISA-N 0 0 326.440 3.497 10 10 EGCERN C[C@@H](C1CCCC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000278043026 455741969 /nfs/dbraw/zinc/74/19/69/455741969.db2.gz WDHIDCBEXOQJLJ-NSHDSACASA-N 0 0 336.819 3.389 10 10 EGCERN COc1nccnc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294174883 455806720 /nfs/dbraw/zinc/80/67/20/455806720.db2.gz JPUYRGHMGFIPLP-UHFFFAOYSA-N 0 0 326.444 3.108 10 10 EGCERN CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187777297 455950916 /nfs/dbraw/zinc/95/09/16/455950916.db2.gz RSAPOZOUMYZCAR-QWRGUYRKSA-N 0 0 336.386 3.051 10 10 EGCERN Cc1nc(Cl)ccc1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000270624325 455998391 /nfs/dbraw/zinc/99/83/91/455998391.db2.gz UOCRVHASKCFVJG-UHFFFAOYSA-N 0 0 335.810 3.107 10 10 EGCERN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(F)cc1[O-] ZINC000287276665 456065665 /nfs/dbraw/zinc/06/56/65/456065665.db2.gz CRZOYHNLRRBOAP-SKDZVZGDSA-N 0 0 337.435 3.140 10 10 EGCERN CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287585746 456072689 /nfs/dbraw/zinc/07/26/89/456072689.db2.gz HRENQMNSSYXXOI-TVQRCGJNSA-N 0 0 329.231 3.420 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cc(O)ccc3Cl)CC2)cc1 ZINC000289690242 456136118 /nfs/dbraw/zinc/13/61/18/456136118.db2.gz DVXUAVFPRJKKHK-UHFFFAOYSA-N 0 0 346.814 3.017 10 10 EGCERN CC[C@H]1CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000291656287 456709335 /nfs/dbraw/zinc/70/93/35/456709335.db2.gz OGHPZJYEWYLAHW-LZWOXQAQSA-N 0 0 349.450 3.133 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000378421939 457395400 /nfs/dbraw/zinc/39/54/00/457395400.db2.gz JQKNMHQLQJQANJ-WFASDCNBSA-N 0 0 332.227 3.127 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)ccc21 ZINC000425138188 457449421 /nfs/dbraw/zinc/44/94/21/457449421.db2.gz KMPVTIPNLCFYLY-BJWYYQGGSA-N 0 0 326.440 3.433 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1ccnc(-c2ccccc2)c1N ZINC000366815962 457900969 /nfs/dbraw/zinc/90/09/69/457900969.db2.gz CACBICSYUZHCFE-UHFFFAOYSA-N 0 0 333.391 3.309 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(Cc2ccccc2Cl)C1 ZINC000375830246 458084170 /nfs/dbraw/zinc/08/41/70/458084170.db2.gz NDIVIBMBZKHXHN-SOFGYWHQSA-N 0 0 343.810 3.466 10 10 EGCERN CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215566 458719111 /nfs/dbraw/zinc/71/91/11/458719111.db2.gz HNOQKZMFUFUJQX-DZGCQCFKSA-N 0 0 339.277 3.480 10 10 EGCERN Cc1cc(CCNC(=O)N[C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000730063511 574917171 /nfs/dbraw/zinc/91/71/71/574917171.db2.gz HCGUNAQRIQJEMW-SFHVURJKSA-N 0 0 341.455 3.115 10 10 EGCERN Cc1cc(CCNc2ncnc3c2ncn3C)c(C)n1-c1ccccc1 ZINC000730456826 574989293 /nfs/dbraw/zinc/98/92/93/574989293.db2.gz LFHIKLAETMNTEG-UHFFFAOYSA-N 0 0 346.438 3.425 10 10 EGCERN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)N1CCSc2ccccc21 ZINC000732353966 575261780 /nfs/dbraw/zinc/26/17/80/575261780.db2.gz XFZGCPRJRRYWKX-SNVBAGLBSA-N 0 0 349.433 3.138 10 10 EGCERN CN1CC[C@@H](N2CCCc3cc(OCc4ccccc4)ccc32)C1=O ZINC000734836837 575563768 /nfs/dbraw/zinc/56/37/68/575563768.db2.gz FRNMSKHYMCOODZ-HXUWFJFHSA-N 0 0 336.435 3.249 10 10 EGCERN CCc1ccc(CN2CCN(C(=O)C3=CC(=O)CS3)CC2)s1 ZINC000738546017 576335979 /nfs/dbraw/zinc/33/59/79/576335979.db2.gz YUTYONUCDPJVGD-UHFFFAOYSA-N 0 0 336.482 3.036 10 10 EGCERN CC(C)(C)c1cc(O)c(O)c(CN2CCOC[C@@H]2C(F)(F)F)c1 ZINC000739865277 576511962 /nfs/dbraw/zinc/51/19/62/576511962.db2.gz ANSYGZNGSXPBMZ-CYBMUJFWSA-N 0 0 333.350 3.158 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000740849209 576629057 /nfs/dbraw/zinc/62/90/57/576629057.db2.gz UIODWRNNCQEKHU-GOEBONIOSA-N 0 0 332.469 3.437 10 10 EGCERN O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)cc(F)cc1F ZINC000741555318 576700493 /nfs/dbraw/zinc/70/04/93/576700493.db2.gz OXBGOUXAKXQBGD-UHFFFAOYSA-N 0 0 336.313 3.193 10 10 EGCERN CN(C)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000743096594 576801552 /nfs/dbraw/zinc/80/15/52/576801552.db2.gz IURPOIQTIOLQPT-UHFFFAOYSA-N 0 0 340.427 3.054 10 10 EGCERN C[C@H](CO)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000154960122 1294078400 /nfs/dbraw/zinc/07/84/00/1294078400.db2.gz CCNJDGYZKMRXNV-ZBFHGGJFSA-N 0 0 332.469 3.450 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000173581798 1294466919 /nfs/dbraw/zinc/46/69/19/1294466919.db2.gz IIPDKKZQJFYUCB-HIFRSBDPSA-N 0 0 333.334 3.099 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3csc(C)c3C)CC2)cc1F ZINC000179967158 1294846528 /nfs/dbraw/zinc/84/65/28/1294846528.db2.gz MJTGXOUCZFPWFA-UHFFFAOYSA-N 0 0 348.443 3.475 10 10 EGCERN Cc1[nH]c(C(=O)N2Cc3cccc(O)c3C2)c(C)c1C(=O)OC(C)C ZINC000871198684 1296268581 /nfs/dbraw/zinc/26/85/81/1296268581.db2.gz NBCVRCOZSMQGPP-UHFFFAOYSA-N 0 0 342.395 3.058 10 10 EGCERN CC(C)NC(=O)Nc1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198640 1296268994 /nfs/dbraw/zinc/26/89/94/1296268994.db2.gz LPACYPPOXWBIPY-UHFFFAOYSA-N 0 0 339.395 3.078 10 10 EGCERN CCCOc1cc(OC)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203413 1296270846 /nfs/dbraw/zinc/27/08/46/1296270846.db2.gz AAIGMJMBHONDKO-UHFFFAOYSA-N 0 0 327.380 3.346 10 10 EGCERN Cc1nc([C@H]2CCCOC2)sc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204603 1296271059 /nfs/dbraw/zinc/27/10/59/1296271059.db2.gz HQWNSFWDEWAYEX-ZDUSSCGKSA-N 0 0 344.436 3.207 10 10 EGCERN C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000247192115 1296383977 /nfs/dbraw/zinc/38/39/77/1296383977.db2.gz QIFAGWZFFXGOAM-SAABIXHNSA-N 0 0 345.487 3.243 10 10 EGCERN COc1cccc(Nc2ccc(NC[C@H](O)CC(C)(C)O)cc2)c1 ZINC000872215574 1296817221 /nfs/dbraw/zinc/81/72/21/1296817221.db2.gz BZRBZGQADPLWNG-QGZVFWFLSA-N 0 0 330.428 3.373 10 10 EGCERN COc1cccc(CN2CCOc3ccc(N(C)C)cc3C2)c1OC ZINC000581789759 1298008575 /nfs/dbraw/zinc/00/85/75/1298008575.db2.gz MHDCJEDWTMUIOF-UHFFFAOYSA-N 0 0 342.439 3.164 10 10 EGCERN Cc1ncc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000877992164 1299692440 /nfs/dbraw/zinc/69/24/40/1299692440.db2.gz IOPTXDOQNXMPNF-UHFFFAOYSA-N 0 0 327.428 3.174 10 10 EGCERN C[C@H](O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893995595 1306169265 /nfs/dbraw/zinc/16/92/65/1306169265.db2.gz XCHADAPWFKLALO-VIFPVBQESA-N 0 0 348.668 3.401 10 10 EGCERN COc1ccc(N(C)Cc2ccc(OC)c(OC)c2F)cc1OC ZINC000894462216 1308903312 /nfs/dbraw/zinc/90/33/12/1308903312.db2.gz QQPLYSMOYRWBAM-UHFFFAOYSA-N 0 0 335.375 3.497 10 10 EGCERN Cc1cc(O)c(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000895005150 1309151058 /nfs/dbraw/zinc/15/10/58/1309151058.db2.gz MIZIZNVOJTWGKB-CABCVRRESA-N 0 0 344.842 3.055 10 10 EGCERN CCn1ncc(NCc2c3cc(F)ccc3n(C)c2C(=O)OC)c1C ZINC000895476839 1309358987 /nfs/dbraw/zinc/35/89/87/1309358987.db2.gz BTIHJGHEUNDPNL-UHFFFAOYSA-N 0 0 344.390 3.241 10 10 EGCERN O=C(NCCCSc1nccs1)c1cccnc1C(F)F ZINC000896334915 1309809118 /nfs/dbraw/zinc/80/91/18/1309809118.db2.gz QFLXHAQYAVOHRQ-UHFFFAOYSA-N 0 0 329.397 3.388 10 10 EGCERN CCO[C@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000896787564 1310014788 /nfs/dbraw/zinc/01/47/88/1310014788.db2.gz MPWJJECYOFLKII-CQSZACIVSA-N 0 0 337.441 3.494 10 10 EGCERN CO[C@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC000897522853 1310362602 /nfs/dbraw/zinc/36/26/02/1310362602.db2.gz WWBPAGRFZBOGPX-GFCCVEGCSA-N 0 0 349.330 3.010 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@@H](C2CCC2)C1 ZINC000897831841 1310483659 /nfs/dbraw/zinc/48/36/59/1310483659.db2.gz SWBVBXKGRIVRPW-ZDUSSCGKSA-N 0 0 347.436 3.201 10 10 EGCERN C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898977515 1310896301 /nfs/dbraw/zinc/89/63/01/1310896301.db2.gz JKYIFPVLMBIAJM-LLVKDONJSA-N 0 0 347.436 3.486 10 10 EGCERN O=C(N[C@@H]1CCC[C@]12CCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000899229204 1310988432 /nfs/dbraw/zinc/98/84/32/1310988432.db2.gz QMZZLTWPYGEHTJ-WBVHZDCISA-N 0 0 333.409 3.144 10 10 EGCERN CN(C)c1ccc(/C=C/CN2Cc3ccccc3N(C)C(=O)C2)cc1 ZINC000857881206 1328613773 /nfs/dbraw/zinc/61/37/73/1328613773.db2.gz DOJTWHXTKCJYQJ-VOTSOKGWSA-N 0 0 335.451 3.244 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)c(C)n1-c1ccccn1 ZINC000899622598 1317116565 /nfs/dbraw/zinc/11/65/65/1317116565.db2.gz LJLLZOUGWFRGSO-FUHWJXTLSA-N 0 0 339.439 3.130 10 10 EGCERN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1nnc2n1CCCCC2 ZINC000858094159 1328679735 /nfs/dbraw/zinc/67/97/35/1328679735.db2.gz DLNBRZPMUZKRLK-LBPRGKRZSA-N 0 0 349.429 3.200 10 10 EGCERN C[C@H]1CN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2F)C[C@H](C)O1 ZINC000858100460 1328681729 /nfs/dbraw/zinc/68/17/29/1328681729.db2.gz HSNDSQKSKAWVBQ-KBPBESRZSA-N 0 0 347.409 3.263 10 10 EGCERN Cc1nc2sccn2c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858199359 1328709958 /nfs/dbraw/zinc/70/99/58/1328709958.db2.gz JMQWPJIZHSOFLF-UHFFFAOYSA-N 0 0 328.441 3.042 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000858206548 1328711350 /nfs/dbraw/zinc/71/13/50/1328711350.db2.gz KNLSDNMTGBQWLZ-MAUKXSAKSA-N 0 0 349.450 3.039 10 10 EGCERN COCCCOc1ccccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929907039 1328736015 /nfs/dbraw/zinc/73/60/15/1328736015.db2.gz CHEZOCOYNKXZJP-UHFFFAOYSA-N 0 0 342.395 3.355 10 10 EGCERN C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000858449567 1328765398 /nfs/dbraw/zinc/76/53/98/1328765398.db2.gz OHJPBUPAYAGXDO-UFBFGSQYSA-N 0 0 335.276 3.321 10 10 EGCERN Cc1cc(CNC(=O)N[C@@H]2CCn3ccnc32)c(C)n1-c1ccccc1 ZINC000858500230 1328780979 /nfs/dbraw/zinc/78/09/79/1328780979.db2.gz YOJUQIQGQFMROY-GOSISDBHSA-N 0 0 349.438 3.235 10 10 EGCERN C[C@H](NCc1c(F)cncc1F)c1ccc(N2CCOCC2)cc1 ZINC000930209517 1328812461 /nfs/dbraw/zinc/81/24/61/1328812461.db2.gz FQJZXPWERFQNIG-ZDUSSCGKSA-N 0 0 333.382 3.047 10 10 EGCERN O=C(NCc1c(O)cccc1F)Nc1ccccc1O[C@H]1CCOC1 ZINC000930373862 1328844432 /nfs/dbraw/zinc/84/44/32/1328844432.db2.gz NYZRGRNFOJTGFH-LBPRGKRZSA-N 0 0 346.358 3.021 10 10 EGCERN COC(=O)c1cnc(SC[C@H]2CC[C@@H](C(F)(F)F)O2)s1 ZINC000917779060 1319872187 /nfs/dbraw/zinc/87/21/87/1319872187.db2.gz WZUJPIRJDLKXJH-SVRRBLITSA-N 0 0 327.349 3.132 10 10 EGCERN COc1ccc(N2CCC(NC(=O)C[C@@H](C)C(F)(F)F)CC2)cc1 ZINC000859096547 1328922767 /nfs/dbraw/zinc/92/27/67/1328922767.db2.gz FYSXUBHSFWCDRA-GFCCVEGCSA-N 0 0 344.377 3.369 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1[C@H]1CCCOC1 ZINC000860048301 1329134130 /nfs/dbraw/zinc/13/41/30/1329134130.db2.gz SQSHKHHXFYXOES-KRWDZBQOSA-N 0 0 342.439 3.434 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1[C@@H]1CCCOC1 ZINC000860048303 1329134413 /nfs/dbraw/zinc/13/44/13/1329134413.db2.gz SQSHKHHXFYXOES-QGZVFWFLSA-N 0 0 342.439 3.434 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)c1c(C)nc2sccn21 ZINC000860049053 1329134568 /nfs/dbraw/zinc/13/45/68/1329134568.db2.gz PNWHNQMXLZROPT-UHFFFAOYSA-N 0 0 329.425 3.462 10 10 EGCERN Cc1cc(C(=O)NCc2ccccc2O)c(C)n1[C@H]1CCCOC1 ZINC000860232639 1329179885 /nfs/dbraw/zinc/17/98/85/1329179885.db2.gz BSBSQFUYYFRLBI-INIZCTEOSA-N 0 0 328.412 3.092 10 10 EGCERN C[C@H](NC(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000926296315 1325506527 /nfs/dbraw/zinc/50/65/27/1325506527.db2.gz WJSFOLTZEJHMPQ-MJVIPROJSA-N 0 0 346.349 3.252 10 10 EGCERN C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000926951060 1327792054 /nfs/dbraw/zinc/79/20/54/1327792054.db2.gz WTFJZIJXGSURKT-PRFIWBCESA-N 0 0 332.227 3.154 10 10 EGCERN C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927149208 1327892575 /nfs/dbraw/zinc/89/25/75/1327892575.db2.gz ZWACJXQJQUFITE-DTWKUNHWSA-N 0 0 341.242 3.036 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NC[C@]2(c3ccccc3)CCCO2)c1 ZINC000927681813 1328104455 /nfs/dbraw/zinc/10/44/55/1328104455.db2.gz BBJJAQZNNBGLJR-FQEVSTJZSA-N 0 0 340.423 3.206 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCO[C@@H](C)CC1 ZINC000928526274 1328349716 /nfs/dbraw/zinc/34/97/16/1328349716.db2.gz IHOACIJGWCSONT-HNNXBMFYSA-N 0 0 340.423 3.158 10 10 EGCERN CC(C)(C)OC(=O)CC1(C(=O)NCc2c(O)cccc2F)CCC1 ZINC000928705566 1328403450 /nfs/dbraw/zinc/40/34/50/1328403450.db2.gz JXAXBMBOFVXZII-UHFFFAOYSA-N 0 0 337.391 3.050 10 10 EGCERN O=C(CCCOCCc1ccccc1)NCc1c(O)cccc1F ZINC000928711133 1328406510 /nfs/dbraw/zinc/40/65/10/1328406510.db2.gz FACMUQDIYSCEFC-UHFFFAOYSA-N 0 0 331.387 3.187 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC12CCCC2 ZINC000929007863 1328487737 /nfs/dbraw/zinc/48/77/37/1328487737.db2.gz ZRSSPLBGEMDVLI-AWEZNQCLSA-N 0 0 334.803 3.143 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2(C(F)F)CC2)c1 ZINC000861548860 1329425715 /nfs/dbraw/zinc/42/57/15/1329425715.db2.gz VKOSFGFBGYMSFA-UHFFFAOYSA-N 0 0 332.350 3.434 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[C@@H](C)F)cc1 ZINC000861834911 1329444419 /nfs/dbraw/zinc/44/44/19/1329444419.db2.gz IQFMBUAIXIAQIT-CYBMUJFWSA-N 0 0 330.403 3.313 10 10 EGCERN C[C@H]1C(=O)CC[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC000862025936 1329455631 /nfs/dbraw/zinc/45/56/31/1329455631.db2.gz CCWPYFXVUHSVSH-WFASDCNBSA-N 0 0 340.423 3.198 10 10 EGCERN CCCCn1ncc(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC000862026937 1329455796 /nfs/dbraw/zinc/45/57/96/1329455796.db2.gz DUMBIQCDTUJCGH-UHFFFAOYSA-N 0 0 338.411 3.175 10 10 EGCERN C[C@@H]1CCC[C@H](OCC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862028057 1329456061 /nfs/dbraw/zinc/45/60/61/1329456061.db2.gz OIZBIAUKDJTZIA-CJNGLKHVSA-N 0 0 328.412 3.152 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC2(CC2(F)F)C1 ZINC000862140323 1329461390 /nfs/dbraw/zinc/46/13/90/1329461390.db2.gz UTSXNNBZDOVPLJ-UHFFFAOYSA-N 0 0 344.361 3.388 10 10 EGCERN CN(C)c1cc(F)c(CN2CCC(=O)Nc3ccccc32)cc1F ZINC000862371921 1329479567 /nfs/dbraw/zinc/47/95/67/1329479567.db2.gz OJUVIVNULJZXHN-UHFFFAOYSA-N 0 0 331.366 3.380 10 10 EGCERN CCCOc1cncc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000862485128 1329490657 /nfs/dbraw/zinc/49/06/57/1329490657.db2.gz HCKVAZFIPSAGBH-UHFFFAOYSA-N 0 0 333.344 3.105 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1 ZINC000862759306 1329506974 /nfs/dbraw/zinc/50/69/74/1329506974.db2.gz CFTKZWYGJDIZHD-GUYCJALGSA-N 0 0 338.407 3.225 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c1 ZINC000862759304 1329507055 /nfs/dbraw/zinc/50/70/55/1329507055.db2.gz CFTKZWYGJDIZHD-DYVFJYSZSA-N 0 0 338.407 3.225 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](CCF)C2)cc1 ZINC000863076978 1329527878 /nfs/dbraw/zinc/52/78/78/1329527878.db2.gz JDUWRPNNKIQQQT-GOSISDBHSA-N 0 0 330.403 3.295 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)CS[C@@H]2COC(C)(C)C2)cc1 ZINC000863355933 1329549583 /nfs/dbraw/zinc/54/95/83/1329549583.db2.gz RAONQZMOZKITOB-INIZCTEOSA-N 0 0 336.501 3.012 10 10 EGCERN CCCN(CC(F)(F)F)C(=O)COc1ccc(N2CCCC2)cc1 ZINC000863459074 1329555747 /nfs/dbraw/zinc/55/57/47/1329555747.db2.gz KDMSQHKOQPDIAH-UHFFFAOYSA-N 0 0 344.377 3.467 10 10 EGCERN C[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000865019701 1329662097 /nfs/dbraw/zinc/66/20/97/1329662097.db2.gz VGQWYORCBSQNLL-ZTFGCOKTSA-N 0 0 330.472 3.383 10 10 EGCERN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)on1 ZINC000865418012 1329694319 /nfs/dbraw/zinc/69/43/19/1329694319.db2.gz GFOILAYIMXDYNB-OKILXGFUSA-N 0 0 333.407 3.026 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000865871077 1329747379 /nfs/dbraw/zinc/74/73/79/1329747379.db2.gz CZGVRXAPHJBTBI-ZDUSSCGKSA-N 0 0 336.233 3.284 10 10 EGCERN C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000866496029 1330118568 /nfs/dbraw/zinc/11/85/68/1330118568.db2.gz LPJBETGSJIPHLI-SECBINFHSA-N 0 0 339.226 3.028 10 10 EGCERN C[C@@H]1C[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)[C@H](C)O1 ZINC000866595963 1330131106 /nfs/dbraw/zinc/13/11/06/1330131106.db2.gz YIUWJICBANVBKW-KEYYUXOJSA-N 0 0 329.396 3.328 10 10 EGCERN CC(C)(C)c1cc(C(=O)NCc2ccc(O)c(O)c2)cc(Cl)n1 ZINC000866770566 1330147610 /nfs/dbraw/zinc/14/76/10/1330147610.db2.gz YVSWMGHNTVWZDG-UHFFFAOYSA-N 0 0 334.803 3.374 10 10 EGCERN O=C(NCc1cccc(Br)c1O)C1(C(F)F)CCC1 ZINC000867831230 1330222613 /nfs/dbraw/zinc/22/26/13/1330222613.db2.gz SPPHYHCPQXSGRK-UHFFFAOYSA-N 0 0 334.160 3.206 10 10 EGCERN Nc1ccc(CNC(=O)Cc2csc(CCC(F)(F)F)n2)cc1 ZINC000868060638 1330245040 /nfs/dbraw/zinc/24/50/40/1330245040.db2.gz BHBABQMIAALQTD-UHFFFAOYSA-N 0 0 343.374 3.079 10 10 EGCERN COc1ccc2c(c1)OCC[C@@H]2NC(=O)N[C@@H](C)c1ccccc1O ZINC000868313015 1330269441 /nfs/dbraw/zinc/26/94/41/1330269441.db2.gz XODYPJKKVDQXFJ-LRDDRELGSA-N 0 0 342.395 3.285 10 10 EGCERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000868441375 1330281088 /nfs/dbraw/zinc/28/10/88/1330281088.db2.gz SREORJWWDWHPKU-JFOHDYCDSA-N 0 0 330.428 3.100 10 10 EGCERN COCC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000868482704 1330285201 /nfs/dbraw/zinc/28/52/01/1330285201.db2.gz QMVKLAAVWRAXJA-ZFWWWQNUSA-N 0 0 332.400 3.432 10 10 EGCERN COc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)CCO2 ZINC000868507345 1330288011 /nfs/dbraw/zinc/28/80/11/1330288011.db2.gz SJJJEPNHFSGQGW-LRDDRELGSA-N 0 0 342.395 3.285 10 10 EGCERN C[C@H](CC1CCC1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000868983614 1330386780 /nfs/dbraw/zinc/38/67/80/1330386780.db2.gz DVKFVXAVYDITIR-MRXNPFEDSA-N 0 0 345.487 3.243 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)c1cccc2ccc(=O)[nH]c21 ZINC001323706277 1387424791 /nfs/dbraw/zinc/42/47/91/1387424791.db2.gz DSONFKLWBMJAEC-UHFFFAOYSA-N 0 0 340.726 3.382 10 10 EGCERN CCOC(=O)/C=C\C[N@H+](CC)Cc1cc(Br)ccc1O ZINC001191269812 1367464175 /nfs/dbraw/zinc/46/41/75/1367464175.db2.gz XDIVRURYARWXNG-WAYWQWQTSA-N 0 0 342.233 3.096 10 10 EGCERN Cc1cnc(C)nc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001325088960 1387896734 /nfs/dbraw/zinc/89/67/34/1387896734.db2.gz ICCXMDIIYQMPQR-ZIAGYGMSSA-N 0 0 344.434 3.458 10 10 EGCERN Cc1cc(CC(=O)Nc2nnc(C)s2)c(C)n1-c1ccccc1 ZINC001124401966 1372699167 /nfs/dbraw/zinc/69/91/67/1372699167.db2.gz XGSKHYZEWWMULW-UHFFFAOYSA-N 0 0 326.425 3.435 10 10 EGCERN Cc1cc(CNC(=O)Cn2cc(Cl)cn2)c(C)n1-c1ccccc1 ZINC001132048139 1375116758 /nfs/dbraw/zinc/11/67/58/1375116758.db2.gz KLHDWABOSYOULU-UHFFFAOYSA-N 0 0 342.830 3.260 10 10 EGCERN Cc1cc(CNC(=O)c2ccc(C)nn2)c(C)n1-c1cccc(C)c1 ZINC001132264433 1375254904 /nfs/dbraw/zinc/25/49/04/1375254904.db2.gz QVPUUFPKUKRDIU-UHFFFAOYSA-N 0 0 334.423 3.431 10 10 EGCERN CC(=O)c1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC001228576797 1375603193 /nfs/dbraw/zinc/60/31/93/1375603193.db2.gz SZEIDBNVDZMQSP-UHFFFAOYSA-N 0 0 349.434 3.265 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CCCC[C@H]1O ZINC001135800741 1377214443 /nfs/dbraw/zinc/21/44/43/1377214443.db2.gz OISLOUURTGOBJH-PKOBYXMFSA-N 0 0 330.472 3.186 10 10 EGCERN CC1=NO[C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 ZINC001136446503 1377393612 /nfs/dbraw/zinc/39/36/12/1377393612.db2.gz LBPKQJWZXNKIHP-GOSISDBHSA-N 0 0 329.444 3.237 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1CC(F)(F)F ZINC001136833327 1377427311 /nfs/dbraw/zinc/42/73/11/1377427311.db2.gz LLYZGSFGNXDNJB-UHFFFAOYSA-N 0 0 325.286 3.384 10 10 EGCERN Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC001137443419 1377548934 /nfs/dbraw/zinc/54/89/34/1377548934.db2.gz OVXJXGVLENWIAV-UHFFFAOYSA-N 0 0 327.167 3.038 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001140198732 1378030619 /nfs/dbraw/zinc/03/06/19/1378030619.db2.gz PSALJCMUBQFLMM-KRWDZBQOSA-N 0 0 346.423 3.196 10 10 EGCERN Cc1cc(CC(=O)NCc2cc(C)[nH]c(=O)c2)c(C)n1-c1ccccc1 ZINC001142567677 1378460223 /nfs/dbraw/zinc/46/02/23/1378460223.db2.gz HHTKKPHOFFCFEF-UHFFFAOYSA-N 0 0 349.434 3.362 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2ccnn2C)ccc1C ZINC001142681460 1378475263 /nfs/dbraw/zinc/47/52/63/1378475263.db2.gz OAIINAPGZRALSD-UHFFFAOYSA-N 0 0 336.395 3.201 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cccc2cnccc21 ZINC001142728060 1378482771 /nfs/dbraw/zinc/48/27/71/1378482771.db2.gz LVCPMCZLWPACOU-UHFFFAOYSA-N 0 0 329.359 3.419 10 10 EGCERN C[C@@H](NC(=O)c1cc(C(F)(F)F)c[nH]c1=O)c1ccccc1O ZINC001151892331 1379811595 /nfs/dbraw/zinc/81/15/95/1379811595.db2.gz NXNIKWQAYNWYNH-MRVPVSSYSA-N 0 0 326.274 3.003 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H](F)C3)CC2)cc1F ZINC001327991219 1388639823 /nfs/dbraw/zinc/63/98/23/1388639823.db2.gz DYSZULHOIUAUAD-UONOGXRCSA-N 0 0 338.398 3.011 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H](F)C3)CC2)cc1F ZINC001327991221 1388639855 /nfs/dbraw/zinc/63/98/55/1388639855.db2.gz DYSZULHOIUAUAD-ZIAGYGMSSA-N 0 0 338.398 3.011 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[C@H](F)C1 ZINC001327997107 1388641332 /nfs/dbraw/zinc/64/13/32/1388641332.db2.gz NVAKVJAHWWRLCY-SKDRFNHKSA-N 0 0 330.197 3.299 10 10 EGCERN CCc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CCO2 ZINC001153837987 1380141047 /nfs/dbraw/zinc/14/10/47/1380141047.db2.gz MKIWZMJABQSBQG-WHWKNOJMSA-N 0 0 339.391 3.313 10 10 EGCERN O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1cc(O)ccc1O ZINC001153884257 1380149472 /nfs/dbraw/zinc/14/94/72/1380149472.db2.gz AOEIODUPJRZAEX-UHFFFAOYSA-N 0 0 330.771 3.091 10 10 EGCERN CC1=NO[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC001155725988 1380487308 /nfs/dbraw/zinc/48/73/08/1380487308.db2.gz AIHPLKOYMCQZLW-SJKOYZFVSA-N 0 0 349.862 3.357 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1cc(-c2ccccn2)no1 ZINC001159033932 1381528168 /nfs/dbraw/zinc/52/81/68/1381528168.db2.gz OJUSGNMOQVVWOD-UHFFFAOYSA-N 0 0 329.743 3.026 10 10 EGCERN CN(C)c1ccc(CN(C(=O)c2ccc(O)cc2F)C2CC2)cc1 ZINC001290740444 1382106493 /nfs/dbraw/zinc/10/64/93/1382106493.db2.gz VWZIDBVFNDSKDG-UHFFFAOYSA-N 0 0 328.387 3.402 10 10 EGCERN COc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1F ZINC001162612132 1382808144 /nfs/dbraw/zinc/80/81/44/1382808144.db2.gz CQYRNVNDOPPYSI-UHFFFAOYSA-N 0 0 326.327 3.018 10 10 EGCERN CO[C@H]1Cc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2C1 ZINC001296302690 1382954620 /nfs/dbraw/zinc/95/46/20/1382954620.db2.gz CDVUOSLQJVLPFA-INIZCTEOSA-N 0 0 338.367 3.215 10 10 EGCERN CCN1CC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001297010659 1383104763 /nfs/dbraw/zinc/10/47/63/1383104763.db2.gz RNQGWFDPGJCCIP-KSSFIOAISA-N 0 0 349.906 3.287 10 10 EGCERN Nc1ccc(F)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001298829766 1383435146 /nfs/dbraw/zinc/43/51/46/1383435146.db2.gz JKICASRNTMLGPI-UHFFFAOYSA-N 0 0 347.353 3.370 10 10 EGCERN Cc1ccc(O)c(CNC(=O)CSc2nc3ccccc3o2)c1 ZINC001301046722 1383692286 /nfs/dbraw/zinc/69/22/86/1383692286.db2.gz IKBFLVGKDLBVQY-UHFFFAOYSA-N 0 0 328.393 3.250 10 10 EGCERN C[C@@H](NC(=O)c1cc(O)cc(Br)c1)c1ccccc1O ZINC001302532947 1383757072 /nfs/dbraw/zinc/75/70/72/1383757072.db2.gz WGMZTMNURAEMBO-SECBINFHSA-N 0 0 336.185 3.351 10 10 EGCERN CCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001307024473 1383934017 /nfs/dbraw/zinc/93/40/17/1383934017.db2.gz OATZFAPDQHHZTD-UHFFFAOYSA-N 0 0 337.427 3.016 10 10 EGCERN COC(=O)COc1ccc(N(C)C[C@@H]2CCCC3(CCC3)O2)cc1 ZINC001307672477 1384011261 /nfs/dbraw/zinc/01/12/61/1384011261.db2.gz NODAJTWAMMZWNW-KRWDZBQOSA-N 0 0 333.428 3.166 10 10 EGCERN C[C@@H](NC(=O)N[C@@H](CO)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001312530199 1384355465 /nfs/dbraw/zinc/35/54/65/1384355465.db2.gz BAXCJHKMNWDCGZ-GDBMZVCRSA-N 0 0 335.492 3.300 10 10 EGCERN CC[C@H](C)[C@H](O)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001313132753 1384398684 /nfs/dbraw/zinc/39/86/84/1384398684.db2.gz PTMXULDYKNKRHA-IFXJQAMLSA-N 0 0 343.471 3.300 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1O ZINC001174726106 1385140508 /nfs/dbraw/zinc/14/05/08/1385140508.db2.gz STUVSRLWDBWGOB-FVMDXXJSSA-N 0 0 347.789 3.493 10 10 EGCERN CCOc1ccc(N(CC(=O)Nc2nccs2)CC2CC2)cc1 ZINC001175372726 1385269618 /nfs/dbraw/zinc/26/96/18/1385269618.db2.gz ZKRURWXTSYMHLX-UHFFFAOYSA-N 0 0 331.441 3.397 10 10 EGCERN C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1cc(O)ccc1O ZINC001176747900 1385681198 /nfs/dbraw/zinc/68/11/98/1385681198.db2.gz DPIWOIUCMGNVIR-NSHDSACASA-N 0 0 335.400 3.282 10 10 EGCERN CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O ZINC001176748697 1385681557 /nfs/dbraw/zinc/68/15/57/1385681557.db2.gz ZZWPFHHUHWTEKP-UHFFFAOYSA-N 0 0 335.787 3.225 10 10 EGCERN Cc1nc2c(F)cccc2cc1C(=O)NCc1cc(O)ccc1O ZINC001176754747 1385684940 /nfs/dbraw/zinc/68/49/40/1385684940.db2.gz GQGBOTFILNTBJD-UHFFFAOYSA-N 0 0 326.327 3.024 10 10 EGCERN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC001320092166 1386506545 /nfs/dbraw/zinc/50/65/45/1386506545.db2.gz DJLWOVALIBELNJ-ODOQXGPZSA-N 0 0 340.261 3.056 10 10 EGCERN CN(C)c1ccc(CN(C)CN2CC[C@H](c3ccccc3)C2=O)cc1 ZINC001320696201 1386694102 /nfs/dbraw/zinc/69/41/02/1386694102.db2.gz FXTFVMSVHIAKKK-HXUWFJFHSA-N 0 0 337.467 3.158 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1csc(Br)n1 ZINC001180421126 1386792167 /nfs/dbraw/zinc/79/21/67/1386792167.db2.gz WWTLSKHGJTYJCX-UHFFFAOYSA-N 0 0 347.621 3.195 10 10 EGCERN Cc1cc(-c2nnc(CCc3cn(C)nn3)o2)c(C)n1-c1ccccc1 ZINC001329589295 1389169020 /nfs/dbraw/zinc/16/90/20/1389169020.db2.gz MXONXWKSRSRLBR-UHFFFAOYSA-N 0 0 348.410 3.058 10 10 EGCERN Cc1cc(C(=O)NCC2=CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC001330628062 1389476320 /nfs/dbraw/zinc/47/63/20/1389476320.db2.gz VQIMKEIHFWGYFD-UHFFFAOYSA-N 0 0 328.387 3.310 10 10 EGCERN COC(=O)c1c(CNCc2cnc(C)s2)c2cc(F)ccc2n1C ZINC001331534235 1389787136 /nfs/dbraw/zinc/78/71/36/1389787136.db2.gz RWXASGRMMSBKAB-UHFFFAOYSA-N 0 0 347.415 3.159 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)C3(C)CC3)C2)cc1 ZINC001346330846 1390922817 /nfs/dbraw/zinc/92/28/17/1390922817.db2.gz POKUIQHOVIPNCZ-CABCVRRESA-N 0 0 331.460 3.009 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)c3nc(C4CC4)cs3)C2)cc1 ZINC001347109320 1391001517 /nfs/dbraw/zinc/00/15/17/1391001517.db2.gz JNUIRROYGIRWGP-ZDUSSCGKSA-N 0 0 343.452 3.038 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnn1CC(F)F ZINC001349107328 1391303167 /nfs/dbraw/zinc/30/31/67/1391303167.db2.gz XNSSRALRUAICDI-UHFFFAOYSA-N 0 0 348.397 3.021 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C/c1cncc(F)c1 ZINC001351671905 1391668042 /nfs/dbraw/zinc/66/80/42/1391668042.db2.gz BHDXGBBVZBWLCA-RMKNXTFCSA-N 0 0 339.414 3.493 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC1(Cl)Cl ZINC001352615582 1391823626 /nfs/dbraw/zinc/82/36/26/1391823626.db2.gz QOUFQRIGVYNCLU-CQSZACIVSA-N 0 0 327.255 3.439 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2cccnc2c1 ZINC001354372124 1392140851 /nfs/dbraw/zinc/14/08/51/1392140851.db2.gz VJZVEUKDZNKZFN-UHFFFAOYSA-N 0 0 333.391 3.340 10 10 EGCERN CCN(c1nnc(C)n1Cc1ccc2c(c1)CCCN2C)C(C)C ZINC001695530204 1406097312 /nfs/dbraw/zinc/09/73/12/1406097312.db2.gz MAYCKKDWPQVDCZ-UHFFFAOYSA-N 0 0 327.476 3.252 10 10 EGCERN C#CCN(C)c1nnc([C@@H](C)CC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001705542032 1417127086 /nfs/dbraw/zinc/12/70/86/1417127086.db2.gz WXMXALOTQYTVIP-AWEZNQCLSA-N 0 0 343.450 3.114 10 10 EGCERN C=C1CCN(c2nnc(CC)n2Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001705769611 1417135218 /nfs/dbraw/zinc/13/52/18/1417135218.db2.gz XOAULPIYLOXXAD-UHFFFAOYSA-N 0 0 343.450 3.250 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1C(F)(F)C12CCC2 ZINC001707861348 1417384349 /nfs/dbraw/zinc/38/43/49/1417384349.db2.gz FLBGKOWSSVXYEY-OAHLLOKOSA-N 0 0 348.397 3.364 10 10 EGCERN CCc1nnc(N(C)Cc2ccccc2O)n1Cc1ccsc1 ZINC001727508160 1427107052 /nfs/dbraw/zinc/10/70/52/1427107052.db2.gz CHUWXGZXDXBZNT-UHFFFAOYSA-N 0 0 328.441 3.292 10 10 EGCERN CCc1nnc(N2C[C@H]3CCC[C@H]32)n1CCCSc1nccs1 ZINC001744599527 1439669902 /nfs/dbraw/zinc/66/99/02/1439669902.db2.gz ILBGZKSKFVCADV-CHWSQXEVSA-N 0 0 349.529 3.468 10 10 EGCERN CC(C)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001750798083 1440110510 /nfs/dbraw/zinc/11/05/10/1440110510.db2.gz MGCLNEQTVXPWPI-MRXNPFEDSA-N 0 0 344.459 3.170 10 10 EGCERN CCOc1ccc(CCN2C(=O)[C@@H](C)SC2=S)cc1OCC ZINC000003615829 210066075 /nfs/dbraw/zinc/06/60/75/210066075.db2.gz PBDMNLKYZPGPAT-LLVKDONJSA-N 0 0 339.482 3.275 10 10 EGCERN Cc1ccc(C(=O)C2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000237923548 455233581 /nfs/dbraw/zinc/23/35/81/455233581.db2.gz SSFKFPWBJPCUGF-UHFFFAOYSA-N 0 0 336.435 3.241 10 10 EGCERN COc1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 ZINC000002199604 452689862 /nfs/dbraw/zinc/68/98/62/452689862.db2.gz HDESJJTVNPSIRT-GXDHUFHOSA-N 0 0 330.434 3.440 10 10 EGCERN CCCN1C(=O)/C(=C\c2ccc(-n3ccnc3)cc2)SC1=S ZINC000012539044 453369751 /nfs/dbraw/zinc/36/97/51/453369751.db2.gz DHSSUNSPNQJXRT-GXDHUFHOSA-N 0 0 329.450 3.484 10 10 EGCERN COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1cc(Cl)ccc1O)N2 ZINC000030539547 453836428 /nfs/dbraw/zinc/83/64/28/453836428.db2.gz SCEBSEYGUWITFN-MRXNPFEDSA-N 0 0 348.786 3.259 10 10 EGCERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000053916188 453900267 /nfs/dbraw/zinc/90/02/67/453900267.db2.gz LTHYODZJCSSXAW-CXAGYDPISA-N 0 0 338.407 3.259 10 10 EGCERN COc1ccc(N2CCN(c3ncnc4cccc(F)c43)CC2)cc1 ZINC000054041723 453907451 /nfs/dbraw/zinc/90/74/51/453907451.db2.gz FMXGSJFZSAMUJY-UHFFFAOYSA-N 0 0 338.386 3.104 10 10 EGCERN COc1ccc(C=C2SC(NC3CCCC3)=NC2=O)c(OC)c1 ZINC000096288896 454315685 /nfs/dbraw/zinc/31/56/85/454315685.db2.gz XMPSFVYFEWQWTJ-OQLLNIDSSA-N 0 0 332.425 3.206 10 10 EGCERN COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(OC)c1 ZINC000096403084 454322119 /nfs/dbraw/zinc/32/21/19/454322119.db2.gz XQACFQICAAMIAO-XNTDXEJSSA-N 0 0 332.425 3.160 10 10 EGCERN C[C@@H]1CN(c2ccc(CNC(=O)N(C)C3CCC3)cc2F)C[C@H](C)O1 ZINC000073772865 454481332 /nfs/dbraw/zinc/48/13/32/454481332.db2.gz ZTKQOMDQXVSHEX-OKILXGFUSA-N 0 0 349.450 3.133 10 10 EGCERN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCn3nc(COC)nc32)cc1 ZINC000125176627 454802079 /nfs/dbraw/zinc/80/20/79/454802079.db2.gz FNGJWDXVPZZELA-WMLDXEAASA-N 0 0 343.475 3.066 10 10 EGCERN COc1ccc(N2CCN(C(=O)c3cc(C)nc(Cl)c3)CC2)cc1 ZINC000125505746 454827725 /nfs/dbraw/zinc/82/77/25/454827725.db2.gz FNARCQWJAUVTBZ-UHFFFAOYSA-N 0 0 345.830 3.014 10 10 EGCERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000167762304 454923789 /nfs/dbraw/zinc/92/37/89/454923789.db2.gz QLJCYAHLEKYYIR-YOEHRIQHSA-N 0 0 327.476 3.482 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c(O)c1O ZINC000179526868 455056160 /nfs/dbraw/zinc/05/61/60/455056160.db2.gz WRZHNJHMMSDDSB-RDJZCZTQSA-N 0 0 341.407 3.135 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3cccs3)C2)cc1 ZINC000152117644 455075212 /nfs/dbraw/zinc/07/52/12/455075212.db2.gz MZABJHFTIZIRKK-MRXNPFEDSA-N 0 0 345.468 3.097 10 10 EGCERN CN(C)c1ccc(CNC(=O)C[C@H]2CCOc3ccccc32)cc1F ZINC000117635421 455090469 /nfs/dbraw/zinc/09/04/69/455090469.db2.gz OVYDCBYNBYGVGV-OAHLLOKOSA-N 0 0 342.414 3.464 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@H](C)O)CC2)cc1 ZINC000118729228 455110225 /nfs/dbraw/zinc/11/02/25/455110225.db2.gz LUWYKMVRNLDXEL-INIZCTEOSA-N 0 0 326.440 3.327 10 10 EGCERN CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156482169 455123387 /nfs/dbraw/zinc/12/33/87/455123387.db2.gz FLQYCPPQOOLTCM-MFKMUULPSA-N 0 0 333.259 3.070 10 10 EGCERN CCN(CC)c1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162571 455284521 /nfs/dbraw/zinc/28/45/21/455284521.db2.gz HTJIOTARGSOUDR-QZTJIDSGSA-N 0 0 344.459 3.186 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000183451160 455294950 /nfs/dbraw/zinc/29/49/50/455294950.db2.gz CZCNVZUHFOYETH-KGYLQXTDSA-N 0 0 347.361 3.227 10 10 EGCERN C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000284198349 455650016 /nfs/dbraw/zinc/65/00/16/455650016.db2.gz BOERUNACIGVREV-SECBINFHSA-N 0 0 339.298 3.148 10 10 EGCERN CC[C@H](Nc1cccc2c1CCN2C(=O)COC)c1ccccc1O ZINC000186401734 455761259 /nfs/dbraw/zinc/76/12/59/455761259.db2.gz GXTZKRLAYXSRJI-INIZCTEOSA-N 0 0 340.423 3.491 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295046964 455836905 /nfs/dbraw/zinc/83/69/05/455836905.db2.gz FKBAGFJQOJYCFL-CYBMUJFWSA-N 0 0 327.758 3.017 10 10 EGCERN O=C(c1cccc(O)c1O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000187209882 455882146 /nfs/dbraw/zinc/88/21/46/455882146.db2.gz AKVNTXXIFQJAGG-CYBMUJFWSA-N 0 0 333.771 3.045 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2COc3ccccc32)c(C)n1-c1ccccn1 ZINC000195011061 455912455 /nfs/dbraw/zinc/91/24/55/455912455.db2.gz BYQXUDKTDLKGHR-QGZVFWFLSA-N 0 0 333.391 3.353 10 10 EGCERN CC[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(F)cc1[O-] ZINC000286281813 456015240 /nfs/dbraw/zinc/01/52/40/456015240.db2.gz VZYOXARVVSSOHO-CQSZACIVSA-N 0 0 336.432 3.454 10 10 EGCERN CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287582984 456071886 /nfs/dbraw/zinc/07/18/86/456071886.db2.gz HMZDMFWAWCKEAP-GWCFXTLKSA-N 0 0 331.243 3.361 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000281162135 456150322 /nfs/dbraw/zinc/15/03/22/456150322.db2.gz WWOQZUUMFLUDGJ-NEPJUHHUSA-N 0 0 344.415 3.018 10 10 EGCERN Cc1cccc(CNc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c1O ZINC000290115060 456243536 /nfs/dbraw/zinc/24/35/36/456243536.db2.gz IMSADJSLYCYEEZ-ZDUSSCGKSA-N 0 0 339.395 3.066 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(F)ccc2OC)c1 ZINC000275287240 456272118 /nfs/dbraw/zinc/27/21/18/456272118.db2.gz FSFCEHJNRPYRLJ-NSHDSACASA-N 0 0 333.359 3.177 10 10 EGCERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000302099262 456288176 /nfs/dbraw/zinc/28/81/76/456288176.db2.gz PHZCPNCATCDGNI-UHFFFAOYSA-N 0 0 347.346 3.199 10 10 EGCERN CCOCc1nc([C@H](C)NCc2ccc(N(CC)CC)cc2)no1 ZINC000291050642 456510746 /nfs/dbraw/zinc/51/07/46/456510746.db2.gz ZUUNTGWEYCXXFL-AWEZNQCLSA-N 0 0 332.448 3.303 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccoc1C(F)(F)F ZINC000291280000 456589429 /nfs/dbraw/zinc/58/94/29/456589429.db2.gz DDLCNWKLQRCFOJ-UHFFFAOYSA-N 0 0 340.301 3.404 10 10 EGCERN CC(C)C[C@H]1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)N1C ZINC000292010427 456828417 /nfs/dbraw/zinc/82/84/17/456828417.db2.gz YQTKRMSXBSYDRS-NSHDSACASA-N 0 0 330.215 3.389 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000378421936 457394914 /nfs/dbraw/zinc/39/49/14/457394914.db2.gz JQKNMHQLQJQANJ-DOMZBBRYSA-N 0 0 332.227 3.127 10 10 EGCERN CC1=C(c2ccco2)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000374551098 457657456 /nfs/dbraw/zinc/65/74/56/457657456.db2.gz KVCBAGASQQQHIA-FNORWQNLSA-N 0 0 325.364 3.410 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H]2CCCc3nc(C)sc32)c1O ZINC000374744246 457699050 /nfs/dbraw/zinc/69/90/50/457699050.db2.gz QRMIPRHOVUSWNO-CYBMUJFWSA-N 0 0 347.440 3.043 10 10 EGCERN COc1c([O-])c(C[NH+]2CCC(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000365793190 457777201 /nfs/dbraw/zinc/77/72/01/457777201.db2.gz FOICAYWNXLFCNZ-UHFFFAOYSA-N 0 0 343.383 3.084 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000413534747 458303615 /nfs/dbraw/zinc/30/36/15/458303615.db2.gz RTBZBRWAOUQQLN-JXFKEZNVSA-N 0 0 340.398 3.363 10 10 EGCERN C[C@H]1Cc2cccc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2O1 ZINC000450046018 458438021 /nfs/dbraw/zinc/43/80/21/458438021.db2.gz HRTKCERKEVZHPP-ZDUSSCGKSA-N 0 0 338.407 3.115 10 10 EGCERN COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000527967283 459783874 /nfs/dbraw/zinc/78/38/74/459783874.db2.gz JBDXPMAZZUUXMX-WMLDXEAASA-N 0 0 344.430 3.465 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1[C@@H]1CCOC1 ZINC000528829516 459814615 /nfs/dbraw/zinc/81/46/15/459814615.db2.gz XQBMDLMQOBOULN-MRXNPFEDSA-N 0 0 328.412 3.044 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)NCC3(COC)CC3)ccc21 ZINC000654093206 462030435 /nfs/dbraw/zinc/03/04/35/462030435.db2.gz JBVDGFNVTKAKLV-UHFFFAOYSA-N 0 0 344.455 3.061 10 10 EGCERN Cc1cc(C(=O)CN(C)Cc2cc[nH]n2)c(C)n1-c1ccc(F)cc1 ZINC000733997941 575420484 /nfs/dbraw/zinc/42/04/84/575420484.db2.gz WVVPXMRPZKECLQ-UHFFFAOYSA-N 0 0 340.402 3.271 10 10 EGCERN Cc1cc(CCNC(=O)C[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000739688362 576497610 /nfs/dbraw/zinc/49/76/10/576497610.db2.gz PGMMFNAFEDPPDF-KRWDZBQOSA-N 0 0 326.440 3.179 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)OCc3cnccn3)ccc21 ZINC000741940672 576736009 /nfs/dbraw/zinc/73/60/09/576736009.db2.gz WSBLMUZVGSPLLC-UHFFFAOYSA-N 0 0 339.395 3.052 10 10 EGCERN COc1ccc(Cl)c(NC(=S)NCc2cccc(OC)n2)c1 ZINC000742993495 576799058 /nfs/dbraw/zinc/79/90/58/576799058.db2.gz PCZVDAIXKPIUAQ-UHFFFAOYSA-N 0 0 337.832 3.239 10 10 EGCERN Cc1ccn2c(C=C3SC(NC4CCCC4)=NC3=O)cnc2c1 ZINC000078876716 1292531613 /nfs/dbraw/zinc/53/16/13/1292531613.db2.gz UZZYTYKWBRCYMY-NTEUORMPSA-N 0 0 326.425 3.145 10 10 EGCERN COc1cc(N(C)Cc2c[nH]nc2C(C)(C)C)cc(OC)c1OC ZINC000180757871 1294913996 /nfs/dbraw/zinc/91/39/96/1294913996.db2.gz DHVVYMDZROVWOT-UHFFFAOYSA-N 0 0 333.432 3.369 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@@H](OC)C2)cc1F ZINC000191380328 1295674975 /nfs/dbraw/zinc/67/49/75/1295674975.db2.gz XQWWLUWOPVRBTC-LSDHHAIUSA-N 0 0 337.439 3.039 10 10 EGCERN CO[C@@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000191440079 1295680294 /nfs/dbraw/zinc/68/02/94/1295680294.db2.gz LTHHFBMHDAYZDW-ZFWWWQNUSA-N 0 0 325.412 3.119 10 10 EGCERN NC(=O)Nc1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000236197849 1296188750 /nfs/dbraw/zinc/18/87/50/1296188750.db2.gz SJHAVNFWRSMKCU-UHFFFAOYSA-N 0 0 336.189 3.257 10 10 EGCERN O=C(c1ccsc1)N1CCOc2ccc(N3CCCC3)cc2C1 ZINC000581789285 1298009070 /nfs/dbraw/zinc/00/90/70/1298009070.db2.gz QXIZABBPYYDPPH-UHFFFAOYSA-N 0 0 328.437 3.383 10 10 EGCERN COC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708076153 1298233958 /nfs/dbraw/zinc/23/39/58/1298233958.db2.gz SVUVDOKKCTVGMY-LLVKDONJSA-N 0 0 334.641 3.419 10 10 EGCERN C[C@H]1[C@@H]([NH3+])CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708125645 1298236299 /nfs/dbraw/zinc/23/62/99/1298236299.db2.gz WRBZRWNNMNWIOV-UFBFGSQYSA-N 0 0 333.657 3.120 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCC=C(c3cnn(C)c3)C2)c1O ZINC000878904856 1300253331 /nfs/dbraw/zinc/25/33/31/1300253331.db2.gz DOAMNXZWBKAZRO-UHFFFAOYSA-N 0 0 345.830 3.271 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2cncc(C(C)=O)c2)cc1 ZINC000887787720 1303933559 /nfs/dbraw/zinc/93/35/59/1303933559.db2.gz YCHVJEJIMIHGEH-UHFFFAOYSA-N 0 0 339.439 3.403 10 10 EGCERN Cc1cnc2n1CC[C@@H]2OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000893518834 1305946676 /nfs/dbraw/zinc/94/66/76/1305946676.db2.gz MWJLCLHRXIMTSR-INIZCTEOSA-N 0 0 336.395 3.296 10 10 EGCERN COc1cc(C)cc(CNc2ccc(N3CCOCC3)cc2)c1O ZINC000894103493 1306220490 /nfs/dbraw/zinc/22/04/90/1306220490.db2.gz KHQXYFNWQXOAMX-UHFFFAOYSA-N 0 0 328.412 3.158 10 10 EGCERN CCNC(=O)N(C)c1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC000894618962 1308981177 /nfs/dbraw/zinc/98/11/77/1308981177.db2.gz PVSSNORLEUFBEG-UHFFFAOYSA-N 0 0 343.427 3.487 10 10 EGCERN COC(=O)c1c(CN[C@H](C)c2cscn2)c2cc(F)ccc2n1C ZINC000895253736 1309259347 /nfs/dbraw/zinc/25/93/47/1309259347.db2.gz IMXHRHZDTVSDCP-SNVBAGLBSA-N 0 0 347.415 3.411 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000895359003 1309298972 /nfs/dbraw/zinc/29/89/72/1309298972.db2.gz KAQCRFILAQSRDA-QGZVFWFLSA-N 0 0 334.366 3.059 10 10 EGCERN O=C(C[C@@H]1CCC2(CCC2)CO1)NCCCSc1nccs1 ZINC000896334966 1309810515 /nfs/dbraw/zinc/81/05/15/1309810515.db2.gz QLCWVAPKJWECMN-ZDUSSCGKSA-N 0 0 340.514 3.481 10 10 EGCERN CC1(C)[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@H]2CCCO[C@H]21 ZINC000896672460 1309969686 /nfs/dbraw/zinc/96/96/86/1309969686.db2.gz KWFFNGAHGAPUCW-UHNFBRDESA-N 0 0 347.436 3.246 10 10 EGCERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CCOCC1 ZINC000896789113 1310014618 /nfs/dbraw/zinc/01/46/18/1310014618.db2.gz BLGBPLHSOMBHSG-LBPRGKRZSA-N 0 0 335.425 3.248 10 10 EGCERN O=C([C@H]1c2ccccc2C(=O)OC12CCC2)N1Cc2cccc(O)c2C1 ZINC000899172608 1310965433 /nfs/dbraw/zinc/96/54/33/1310965433.db2.gz DBNKWKSLPXWFFQ-GOSISDBHSA-N 0 0 349.386 3.111 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000899179815 1310968137 /nfs/dbraw/zinc/96/81/37/1310968137.db2.gz RKJAZQAPNBLRAP-KOLCDFICSA-N 0 0 335.450 3.138 10 10 EGCERN COc1ccc(N2CCCN(Cc3c(F)cncc3F)CC2)cc1 ZINC000929317019 1328566232 /nfs/dbraw/zinc/56/62/32/1328566232.db2.gz VBLMAIHNZLQKMS-UHFFFAOYSA-N 0 0 333.382 3.081 10 10 EGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1CC=CCC1 ZINC000929537677 1328629057 /nfs/dbraw/zinc/62/90/57/1328629057.db2.gz RRSGHHZCEOMVOW-QGZVFWFLSA-N 0 0 328.456 3.228 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)c2cncc(C=O)c2)cc1 ZINC000929537376 1328629145 /nfs/dbraw/zinc/62/91/45/1328629145.db2.gz OHQNPGGWIBQDEZ-UHFFFAOYSA-N 0 0 325.412 3.013 10 10 EGCERN Cc1cc(C(=O)NCc2cc(C3CC3)no2)c(C)n1-c1ccccn1 ZINC000899370710 1317007022 /nfs/dbraw/zinc/00/70/22/1317007022.db2.gz HFFRBFNZGCUOIQ-UHFFFAOYSA-N 0 0 336.395 3.285 10 10 EGCERN C[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000858201803 1328710375 /nfs/dbraw/zinc/71/03/75/1328710375.db2.gz WDGXNFJLNZYOJS-ZDUSSCGKSA-N 0 0 344.377 3.070 10 10 EGCERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000858299120 1328732895 /nfs/dbraw/zinc/73/28/95/1328732895.db2.gz PMGIRPDCGLHYIG-JSGCOSHPSA-N 0 0 326.234 3.120 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@H]2CCSC3(CCC3)C2)cc1 ZINC000913926882 1319179060 /nfs/dbraw/zinc/17/90/60/1319179060.db2.gz OUOVZAOKJPPYPG-HNNXBMFYSA-N 0 0 333.501 3.370 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCC[C@H]2CCC3(CCC3)O2)cc1 ZINC000913926506 1319179651 /nfs/dbraw/zinc/17/96/51/1319179651.db2.gz FHTGJKHFRYCZCU-QGZVFWFLSA-N 0 0 331.460 3.044 10 10 EGCERN COC[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000914180858 1319259247 /nfs/dbraw/zinc/25/92/47/1319259247.db2.gz YLILERKRMPWTJD-QGZVFWFLSA-N 0 0 333.476 3.005 10 10 EGCERN CC(C)c1nc(CCNC(=O)NCc2c(O)cccc2F)cs1 ZINC000916187361 1319618534 /nfs/dbraw/zinc/61/85/34/1319618534.db2.gz XRBXFPPWRNNKKK-UHFFFAOYSA-N 0 0 337.420 3.153 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2cc(-c3ccoc3)n[nH]2)cc1 ZINC000918625290 1319980428 /nfs/dbraw/zinc/98/04/28/1319980428.db2.gz XCTXSGZDFMWUKN-UHFFFAOYSA-N 0 0 338.411 3.446 10 10 EGCERN Cc1cc(C(=O)NCCCSc2nccs2)c2nccn2c1 ZINC000859351253 1328974231 /nfs/dbraw/zinc/97/42/31/1328974231.db2.gz DQHMXMKIZOGLNV-UHFFFAOYSA-N 0 0 332.454 3.011 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCc2cccnc21 ZINC000919081757 1322026197 /nfs/dbraw/zinc/02/61/97/1322026197.db2.gz OHYJAYDFINNCOG-SFHVURJKSA-N 0 0 338.455 3.333 10 10 EGCERN CN(C)c1ccc(CNCc2csc(-c3ccn(C)n3)n2)cc1F ZINC000921624435 1322365575 /nfs/dbraw/zinc/36/55/75/1322365575.db2.gz RNONCTHRZNYPBB-UHFFFAOYSA-N 0 0 345.447 3.039 10 10 EGCERN C[C@@H](NC(=O)NCc1cnc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000922054325 1322445962 /nfs/dbraw/zinc/44/59/62/1322445962.db2.gz IKVSMTHDNNIFBX-SNVBAGLBSA-N 0 0 338.864 3.423 10 10 EGCERN C[C@H](NC(=O)N1CCC[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000922056189 1322446668 /nfs/dbraw/zinc/44/66/68/1322446668.db2.gz WACYQCUSZHCSFT-KSSFIOAISA-N 0 0 341.459 3.094 10 10 EGCERN CCO[C@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000859632292 1329040305 /nfs/dbraw/zinc/04/03/05/1329040305.db2.gz IFULEIDPISYAAJ-MRXNPFEDSA-N 0 0 346.452 3.288 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@@H]2OCCc3ccccc32)c1 ZINC000922963951 1322663445 /nfs/dbraw/zinc/66/34/45/1322663445.db2.gz PHSSEHUPXBMCPE-SFHVURJKSA-N 0 0 328.368 3.094 10 10 EGCERN C[C@@H](C(=O)NCc1cc(NC(=O)[C@@H](C)C2CC2)ccc1O)C1CC1 ZINC000923119246 1322695812 /nfs/dbraw/zinc/69/58/12/1322695812.db2.gz KRXKFXHXEMCHLK-NEPJUHHUSA-N 0 0 330.428 3.039 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000931376056 1329106943 /nfs/dbraw/zinc/10/69/43/1329106943.db2.gz XMUYPZNBPNHZRX-XQRVVYSFSA-N 0 0 332.381 3.479 10 10 EGCERN COC(C)(C)[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000925488202 1325174515 /nfs/dbraw/zinc/17/45/15/1325174515.db2.gz HWABQULEYAVKBC-AWEZNQCLSA-N 0 0 333.476 3.240 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000927063752 1327836769 /nfs/dbraw/zinc/83/67/69/1327836769.db2.gz JCQBQZVQPGQXMJ-LRDDRELGSA-N 0 0 326.396 3.302 10 10 EGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000927071234 1327841669 /nfs/dbraw/zinc/84/16/69/1327841669.db2.gz XMXBGYSEYHEYDO-WBHUJUFNSA-N 0 0 333.428 3.035 10 10 EGCERN CC1(C)C[C@@H](C(=O)NCc2c(O)cccc2F)c2ccccc2O1 ZINC000928706990 1328404663 /nfs/dbraw/zinc/40/46/63/1328404663.db2.gz ZITUNZAQYYPGMF-CYBMUJFWSA-N 0 0 329.371 3.492 10 10 EGCERN COc1cccc(C(=O)CCCC(=O)NCc2c(O)cccc2F)c1 ZINC000928706884 1328405234 /nfs/dbraw/zinc/40/52/34/1328405234.db2.gz YLMZZQRAXLFRCW-UHFFFAOYSA-N 0 0 345.370 3.209 10 10 EGCERN CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026102 1329455755 /nfs/dbraw/zinc/45/57/55/1329455755.db2.gz GZRWPWIAPJWZFF-XJKSGUPXSA-N 0 0 328.412 3.152 10 10 EGCERN COc1ccc(N(C)C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000862118428 1329459776 /nfs/dbraw/zinc/45/97/76/1329459776.db2.gz AHYSGYBYFBVQNS-CQSZACIVSA-N 0 0 346.427 3.272 10 10 EGCERN COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1cc(Cl)ccc1O ZINC000862130785 1329460750 /nfs/dbraw/zinc/46/07/50/1329460750.db2.gz MMMOMUPOHXJJFU-INIZCTEOSA-N 0 0 331.799 3.400 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC3(CC3(F)F)C2)c1 ZINC000862139960 1329461509 /nfs/dbraw/zinc/46/15/09/1329461509.db2.gz PVIDIISBYGHJAS-UHFFFAOYSA-N 0 0 344.361 3.388 10 10 EGCERN Cc1ccc(O)c(CNC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862756976 1329507220 /nfs/dbraw/zinc/50/72/20/1329507220.db2.gz CGTJZLWHVNZIDH-ZDUSSCGKSA-N 0 0 336.432 3.010 10 10 EGCERN Cc1cc(CC(=O)N(C)CC2(C)COC2)c(C)n1-c1ccccc1 ZINC000862764306 1329507764 /nfs/dbraw/zinc/50/77/64/1329507764.db2.gz LPRPAPHMJATFAT-UHFFFAOYSA-N 0 0 326.440 3.132 10 10 EGCERN Cc1cc(CC(=O)N2CCO[C@H](CCF)C2)c(C)n1-c1ccccc1 ZINC000863069925 1329527667 /nfs/dbraw/zinc/52/76/67/1329527667.db2.gz GJJUTDFKMNMDRV-LJQANCHMSA-N 0 0 344.430 3.224 10 10 EGCERN Cn1c(-c2ccccc2)cnc1SCC(=O)C(=O)OC(C)(C)C ZINC000863267435 1329542134 /nfs/dbraw/zinc/54/21/34/1329542134.db2.gz CBFJRDWIQUVJNS-UHFFFAOYSA-N 0 0 332.425 3.090 10 10 EGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1cncnc1 ZINC000863942527 1329590720 /nfs/dbraw/zinc/59/07/20/1329590720.db2.gz ZUEOICFQLSZLBA-HNNXBMFYSA-N 0 0 326.444 3.083 10 10 EGCERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000865032075 1329663287 /nfs/dbraw/zinc/66/32/87/1329663287.db2.gz RIJRQZQUTOSNMX-VQTJNVASSA-N 0 0 342.483 3.356 10 10 EGCERN c1[nH]c2ncccc2c1C1=CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000865425598 1329695721 /nfs/dbraw/zinc/69/57/21/1329695721.db2.gz SWGJERUOFBLVQC-UHFFFAOYSA-N 0 0 346.438 3.247 10 10 EGCERN COc1ccc(N2CCC(Nc3nc4cnccc4n3C)CC2)cc1 ZINC000865501037 1329705862 /nfs/dbraw/zinc/70/58/62/1329705862.db2.gz LHRDYNZHVREOQH-UHFFFAOYSA-N 0 0 337.427 3.058 10 10 EGCERN CC(C)Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ncn1 ZINC000865952280 1329754029 /nfs/dbraw/zinc/75/40/29/1329754029.db2.gz GFJQTRRYTCOTRD-UHFFFAOYSA-N 0 0 340.471 3.248 10 10 EGCERN CCOC(=O)c1nc(N[C@@H](C)c2ccccc2O)cc(C(C)(C)C)n1 ZINC000866236867 1330082970 /nfs/dbraw/zinc/08/29/70/1330082970.db2.gz DIEZPSJPNOYDDR-LBPRGKRZSA-N 0 0 343.427 3.251 10 10 EGCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866898277 1330155687 /nfs/dbraw/zinc/15/56/87/1330155687.db2.gz RWLQZFGRZZGCGT-QSGXVVIFSA-N 0 0 329.440 3.192 10 10 EGCERN CC(C)(C(=O)NCc1ccc2cccnc2c1O)[C@@H]1CCCCO1 ZINC000868938839 1330378465 /nfs/dbraw/zinc/37/84/65/1330378465.db2.gz YIVOMLXPSHHHOR-HNNXBMFYSA-N 0 0 328.412 3.152 10 10 EGCERN CC(C)Oc1nc(NCc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC001184644153 1387502567 /nfs/dbraw/zinc/50/25/67/1387502567.db2.gz JZJPQYPTMURVPF-UHFFFAOYSA-N 0 0 330.388 3.455 10 10 EGCERN CCn1c2ccccc2nc(NCc2ccc(N3CC=CC3)cc2)c1=O ZINC001185479705 1387726111 /nfs/dbraw/zinc/72/61/11/1387726111.db2.gz WBZYYUFVBBSOAA-UHFFFAOYSA-N 0 0 346.434 3.405 10 10 EGCERN CCOc1ccc(N(CCn2ccc([N+](=O)[O-])n2)CC2CC2)cc1 ZINC001196952466 1368719727 /nfs/dbraw/zinc/71/97/27/1368719727.db2.gz HZXPBPZVNVMNDC-UHFFFAOYSA-N 0 0 330.388 3.107 10 10 EGCERN Cc1cc(C(=O)CN2CC[C@@]23CCOC3)c(C)n1-c1cccc(F)c1 ZINC001325459429 1387980568 /nfs/dbraw/zinc/98/05/68/1387980568.db2.gz NRFZQRAOHMTGSX-FQEVSTJZSA-N 0 0 342.414 3.281 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCC[C@@H](F)C1 ZINC001326299055 1388145466 /nfs/dbraw/zinc/14/54/66/1388145466.db2.gz MOSSGSTYCGFJGH-VXGBXAGGSA-N 0 0 345.212 3.235 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cccc(OC(C)(C)C)n2)cc1F ZINC001125469079 1372792651 /nfs/dbraw/zinc/79/26/51/1372792651.db2.gz GXDWYVJHVLHIIR-UHFFFAOYSA-N 0 0 345.418 3.394 10 10 EGCERN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1COc2cc(F)ccc2C1 ZINC001128603157 1373296738 /nfs/dbraw/zinc/29/67/38/1373296738.db2.gz DBVIJMZFXQWAGO-VIFPVBQESA-N 0 0 347.733 3.205 10 10 EGCERN Cc1cc(CC(=O)NC[C@@H]2CC[C@@H](C)O2)c(C)n1-c1ccccc1 ZINC001129518515 1373393253 /nfs/dbraw/zinc/39/32/53/1373393253.db2.gz ADMPBFVWQXTHML-BEFAXECRSA-N 0 0 326.440 3.320 10 10 EGCERN O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2c(F)c(F)ccc21 ZINC001129796590 1373424278 /nfs/dbraw/zinc/42/42/78/1373424278.db2.gz DOYFTONVUNWWKU-QHHAFSJGSA-N 0 0 336.725 3.452 10 10 EGCERN Cc1cc(CNC(=O)c2cccc(=O)n2C)c(C)n1-c1cccc(C)c1 ZINC001132043099 1375113717 /nfs/dbraw/zinc/11/37/17/1375113717.db2.gz AAFIEHUNGMFMQO-UHFFFAOYSA-N 0 0 349.434 3.031 10 10 EGCERN CCO[C@@H]1CCC[C@H]1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001229979364 1375925185 /nfs/dbraw/zinc/92/51/85/1375925185.db2.gz JKFXUOYYZWHSGU-ATZDWAIDSA-N 0 0 347.503 3.249 10 10 EGCERN CCCCN(CCOC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001230196230 1375965513 /nfs/dbraw/zinc/96/55/13/1375965513.db2.gz WGKVLEBPEUXGFP-KRWDZBQOSA-N 0 0 349.519 3.450 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)cc1 ZINC001230823387 1376158835 /nfs/dbraw/zinc/15/88/35/1376158835.db2.gz ZKVITWFFEKAHSQ-BMGDILEWSA-N 0 0 347.503 3.392 10 10 EGCERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1(C)C ZINC001230822110 1376159335 /nfs/dbraw/zinc/15/93/35/1376159335.db2.gz QTCNTQUGBNPKDY-NXOUGTEYSA-N 0 0 346.471 3.130 10 10 EGCERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](C)CC3)C2)cc1 ZINC001230859230 1376166061 /nfs/dbraw/zinc/16/60/61/1376166061.db2.gz URZQIJPCPDSQMM-JKSUJKDBSA-N 0 0 331.460 3.106 10 10 EGCERN CC(=O)Nc1cccc(OC(=O)c2sc3ncccc3c2N)c1 ZINC001135963083 1377278619 /nfs/dbraw/zinc/27/86/19/1377278619.db2.gz VCOFYJIBJACRNR-UHFFFAOYSA-N 0 0 327.365 3.056 10 10 EGCERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCCCO)cc1 ZINC001136185184 1377362045 /nfs/dbraw/zinc/36/20/45/1377362045.db2.gz QUKHRIPUAANFAW-UHFFFAOYSA-N 0 0 344.455 3.427 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCOC(C)(C)C)c1 ZINC001136444287 1377393908 /nfs/dbraw/zinc/39/39/08/1377393908.db2.gz HLRAUTJAOAYSMK-UHFFFAOYSA-N 0 0 342.439 3.452 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1CCCCO1 ZINC001136489045 1377398885 /nfs/dbraw/zinc/39/88/85/1377398885.db2.gz DTVVFTPOOXRKGQ-QGZVFWFLSA-N 0 0 340.423 3.206 10 10 EGCERN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001137070310 1377472343 /nfs/dbraw/zinc/47/23/43/1377472343.db2.gz AMQMKXPEDFDCJL-LRDDRELGSA-N 0 0 329.371 3.389 10 10 EGCERN C[C@@H](NC(=O)c1cc(F)c(C=O)cc1F)c1ccc(N(C)C)cc1 ZINC001138363577 1377710446 /nfs/dbraw/zinc/71/04/46/1377710446.db2.gz OOFFYDNESXICQQ-LLVKDONJSA-N 0 0 332.350 3.334 10 10 EGCERN C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001141737622 1378368463 /nfs/dbraw/zinc/36/84/63/1378368463.db2.gz BHWLGQNEBYUKPA-MFKMUULPSA-N 0 0 345.270 3.436 10 10 EGCERN CCCN1CCN(C(=O)Cc2ccc(O)c(O)c2)c2cc(F)ccc21 ZINC001141784619 1378376046 /nfs/dbraw/zinc/37/60/46/1378376046.db2.gz IVQRPVLYDYVRBH-UHFFFAOYSA-N 0 0 344.386 3.043 10 10 EGCERN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001147218293 1378989347 /nfs/dbraw/zinc/98/93/47/1378989347.db2.gz OGWKOSGKEZULDJ-VOJFVSQTSA-N 0 0 349.814 3.186 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@H]2c2nc[nH]n2)c(C)n1-c1ccccc1C ZINC001148392990 1379163619 /nfs/dbraw/zinc/16/36/19/1379163619.db2.gz PWSLXNADRKHYCZ-SFHVURJKSA-N 0 0 349.438 3.498 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccsn1 ZINC001149899248 1379462942 /nfs/dbraw/zinc/46/29/42/1379462942.db2.gz ANQKPKDOWXZCDK-UHFFFAOYSA-N 0 0 341.230 3.274 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1csc(-c2ccccc2)n1 ZINC001153879756 1380148260 /nfs/dbraw/zinc/14/82/60/1380148260.db2.gz XMVAZWDWKKILSY-UHFFFAOYSA-N 0 0 326.377 3.151 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(F)(F)C2)CCCC1 ZINC001154007019 1380176793 /nfs/dbraw/zinc/17/67/93/1380176793.db2.gz LCUGJBOVVXOHPI-UHFFFAOYSA-N 0 0 334.366 3.006 10 10 EGCERN C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)cn1)c1ccc(N(C)C)cc1 ZINC001154668265 1380328033 /nfs/dbraw/zinc/32/80/33/1380328033.db2.gz FAYRBWMIYNYHIO-ZDUSSCGKSA-N 0 0 335.411 3.029 10 10 EGCERN O=C(CCCOc1cccnc1)NCc1c(O)ccc2ccccc21 ZINC001157041287 1380758359 /nfs/dbraw/zinc/75/83/59/1380758359.db2.gz BNEMAJFZNOXLEO-UHFFFAOYSA-N 0 0 336.391 3.416 10 10 EGCERN Cc1cc(C(=O)NCC[C@@H](O)C2CC2)c(C)n1-c1ccccc1C ZINC001158952814 1381482565 /nfs/dbraw/zinc/48/25/65/1381482565.db2.gz VRFFKBCMXNMONB-LJQANCHMSA-N 0 0 326.440 3.293 10 10 EGCERN CCc1nnc(N(C)CC2CCC2)n1Cc1ccc(N(C)C)cc1C ZINC001292849973 1382220680 /nfs/dbraw/zinc/22/06/80/1382220680.db2.gz QZXGQFNNEGVFQO-UHFFFAOYSA-N 0 0 341.503 3.500 10 10 EGCERN C[S@](=N)(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1 ZINC001161518319 1382428749 /nfs/dbraw/zinc/42/87/49/1382428749.db2.gz XOEJOBIVGCRBGD-QHCPKHFHSA-N 0 0 346.433 3.193 10 10 EGCERN COC(=O)[C@H](C)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001161552947 1382438837 /nfs/dbraw/zinc/43/88/37/1382438837.db2.gz GLUULURJUYMZLO-GFSSTFBJSA-N 0 0 341.363 3.026 10 10 EGCERN Cc1ccncc1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001294671221 1382482890 /nfs/dbraw/zinc/48/28/90/1382482890.db2.gz FZJSKXGDYFOULP-UHFFFAOYSA-N 0 0 336.391 3.460 10 10 EGCERN CN(Cc1ccccc1O)C(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC001294676510 1382483216 /nfs/dbraw/zinc/48/32/16/1382483216.db2.gz AQRHFWRXDVZVOA-UHFFFAOYSA-N 0 0 332.425 3.024 10 10 EGCERN Cc1cc(CC(=O)NCC(=O)C(C)(C)C)c(C)n1-c1ccccc1 ZINC001295087858 1382532998 /nfs/dbraw/zinc/53/29/98/1382532998.db2.gz JWSPHEHOEFGPJM-UHFFFAOYSA-N 0 0 326.440 3.368 10 10 EGCERN Cc1ccccc1COCC(=O)NCc1ccc2cccnc2c1O ZINC001162613073 1382809366 /nfs/dbraw/zinc/80/93/66/1382809366.db2.gz VXZAFHOOUVILJF-UHFFFAOYSA-N 0 0 336.391 3.082 10 10 EGCERN CC[C@@]1(C)Oc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2O1 ZINC001296509174 1383004207 /nfs/dbraw/zinc/00/42/07/1383004207.db2.gz IWNGFBUVLQFUTQ-SFHVURJKSA-N 0 0 329.352 3.176 10 10 EGCERN COC(=O)c1sc(NCc2ccc3cccnc3c2O)nc1Cl ZINC001163538253 1383073274 /nfs/dbraw/zinc/07/32/74/1383073274.db2.gz HPSPAOFZVQOPME-UHFFFAOYSA-N 0 0 349.799 3.449 10 10 EGCERN Cc1ccc([C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(F)(F)F)o1 ZINC001163678090 1383103940 /nfs/dbraw/zinc/10/39/40/1383103940.db2.gz ROTOSKMFBMAFLI-QZDDGCDVSA-N 0 0 341.285 3.432 10 10 EGCERN CO[C@H](C)CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001298133179 1383373581 /nfs/dbraw/zinc/37/35/81/1383373581.db2.gz BPPAIUXGGZPTCP-OAHLLOKOSA-N 0 0 342.439 3.370 10 10 EGCERN COc1ccc(-c2cc(C(=O)NCc3cc(C)ccc3O)[nH]n2)cc1 ZINC001167293581 1383586904 /nfs/dbraw/zinc/58/69/04/1383586904.db2.gz KEIMAYKPDQJVNA-UHFFFAOYSA-N 0 0 337.379 3.029 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CSc2ccccc21 ZINC001299721680 1383622811 /nfs/dbraw/zinc/62/28/11/1383622811.db2.gz PQAMNKUANSPPEV-HNNXBMFYSA-N 0 0 336.416 3.446 10 10 EGCERN Cc1ccc(COCC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001299725406 1383624567 /nfs/dbraw/zinc/62/45/67/1383624567.db2.gz MJIHMFSCZKDDCO-UHFFFAOYSA-N 0 0 336.391 3.082 10 10 EGCERN COc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1OC(F)F ZINC001167413820 1383627071 /nfs/dbraw/zinc/62/70/71/1383627071.db2.gz KFNPMMNIOJSYQQ-UHFFFAOYSA-N 0 0 339.294 3.269 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCOc2c(F)cccc21 ZINC001300396422 1383662154 /nfs/dbraw/zinc/66/21/54/1383662154.db2.gz RZNZTTSGHFTWLV-CYBMUJFWSA-N 0 0 335.762 3.367 10 10 EGCERN CCN(C)c1ccc(CN(CCC(F)(F)F)CC(=O)OC)cc1 ZINC001167640339 1383695478 /nfs/dbraw/zinc/69/54/78/1383695478.db2.gz AEPOBJKHPNBDDO-UHFFFAOYSA-N 0 0 332.366 3.070 10 10 EGCERN Cc1ccccc1C(F)(F)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001301433628 1383715168 /nfs/dbraw/zinc/71/51/68/1383715168.db2.gz DCBFLGNLEDDFJK-CLFYSBASSA-N 0 0 333.334 3.328 10 10 EGCERN Cc1cc(C(=O)NOCc2cccc(C)n2)c(C)n1-c1ccccn1 ZINC001301635846 1383723758 /nfs/dbraw/zinc/72/37/58/1383723758.db2.gz UNBAJAPSSVBYCP-UHFFFAOYSA-N 0 0 336.395 3.054 10 10 EGCERN CCOC(=O)[C@@]1(NCc2ccc(OC)c(C)c2)CCc2ccccc21 ZINC001167778447 1383738468 /nfs/dbraw/zinc/73/84/68/1383738468.db2.gz GPOSPCHMNKSJQW-OAQYLSRUSA-N 0 0 339.435 3.498 10 10 EGCERN COc1ccc(C(=O)C(=O)N[C@H](C)c2ccccc2O)cc1Cl ZINC001302533078 1383756989 /nfs/dbraw/zinc/75/69/89/1383756989.db2.gz ZTTFHMAVLVFUMA-SNVBAGLBSA-N 0 0 333.771 3.114 10 10 EGCERN COc1ccc2c(c1)N(C(=O)c1ccc(N=NC(N)=O)cc1)CCC2 ZINC001167877033 1383763674 /nfs/dbraw/zinc/76/36/74/1383763674.db2.gz NLOUUHZIHAXCBW-UHFFFAOYSA-N 0 0 338.367 3.451 10 10 EGCERN Cc1c(C(=O)NCc2c(O)cccc2O)ccn1Cc1ccccc1 ZINC001304053869 1383826118 /nfs/dbraw/zinc/82/61/18/1383826118.db2.gz ULDHVPLSBWZLHG-UHFFFAOYSA-N 0 0 336.391 3.186 10 10 EGCERN COC(=O)c1ccc(Cl)c(CN(C)c2ccc3c(c2)OCO3)c1 ZINC001168215351 1383846013 /nfs/dbraw/zinc/84/60/13/1383846013.db2.gz QZNIANJHMIOOEV-UHFFFAOYSA-N 0 0 333.771 3.492 10 10 EGCERN Cc1nc2ccc(Cl)cn2c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001168404816 1383897293 /nfs/dbraw/zinc/89/72/93/1383897293.db2.gz OOENWCAGMFAORF-CLTKARDFSA-N 0 0 343.770 3.359 10 10 EGCERN CN(CC(=O)N(C)c1nccs1)c1ccc(-c2nccs2)cc1 ZINC001307828892 1384038685 /nfs/dbraw/zinc/03/86/85/1384038685.db2.gz OBVOKALVZYKPBZ-UHFFFAOYSA-N 0 0 344.465 3.366 10 10 EGCERN O=C(NCCc1ccc(F)c(F)c1F)N1Cc2cccc(O)c2C1 ZINC001312360846 1384342864 /nfs/dbraw/zinc/34/28/64/1384342864.db2.gz MNNVWQFXIXOYAX-UHFFFAOYSA-N 0 0 336.313 3.077 10 10 EGCERN Cc1cc(CNC(=O)N2CCOC(C)(C)C2)c(C)n1-c1ccccc1 ZINC001313132771 1384398553 /nfs/dbraw/zinc/39/85/53/1384398553.db2.gz QKUNUHRTJZMNCW-UHFFFAOYSA-N 0 0 341.455 3.415 10 10 EGCERN C[C@H](NC(=O)c1cccn(Cc2ccccc2)c1=O)c1ccccc1O ZINC001171730233 1384616089 /nfs/dbraw/zinc/61/60/89/1384616089.db2.gz MRCTZAQHUCUYFQ-HNNXBMFYSA-N 0 0 348.402 3.093 10 10 EGCERN Cc1cccc(-c2cncc(C(=O)NCc3cc(O)ccc3O)c2)c1 ZINC001176748544 1385681096 /nfs/dbraw/zinc/68/10/96/1385681096.db2.gz WEHSGALKMYHHCV-UHFFFAOYSA-N 0 0 334.375 3.398 10 10 EGCERN CCc1nccn1CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC001177513663 1385982478 /nfs/dbraw/zinc/98/24/78/1385982478.db2.gz HHJKIHXXMJYKJG-UHFFFAOYSA-N 0 0 342.468 3.345 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cc2c(cncc2Cl)s1 ZINC001178917813 1386348363 /nfs/dbraw/zinc/34/83/63/1386348363.db2.gz SWQNRFRRDFYTBZ-UHFFFAOYSA-N 0 0 334.784 3.291 10 10 EGCERN CO[C@@H]1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC001320665067 1386684921 /nfs/dbraw/zinc/68/49/21/1386684921.db2.gz RONHJKWYBSNOST-FUHWJXTLSA-N 0 0 333.476 3.240 10 10 EGCERN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC001330926271 1389566267 /nfs/dbraw/zinc/56/62/67/1389566267.db2.gz AWVNFMLHJXGMGB-SECBINFHSA-N 0 0 343.330 3.240 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc(CO)cc1 ZINC001345904289 1390892625 /nfs/dbraw/zinc/89/26/25/1390892625.db2.gz MMCNRXUQRCEGKJ-OAHLLOKOSA-N 0 0 341.455 3.306 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC001347291120 1391048761 /nfs/dbraw/zinc/04/87/61/1391048761.db2.gz TXFXCYCNPAGWDX-IEBWSBKVSA-N 0 0 345.487 3.243 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cccc(OC(C)(C)C)n2)cc1 ZINC001351265656 1391618399 /nfs/dbraw/zinc/61/83/99/1391618399.db2.gz INIOFPQXEAWIAG-UHFFFAOYSA-N 0 0 327.428 3.255 10 10 EGCERN Cc1ccsc1[C@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC001351314104 1391625383 /nfs/dbraw/zinc/62/53/83/1391625383.db2.gz GDFHZVRCOVHIOZ-AWEZNQCLSA-N 0 0 326.412 3.224 10 10 EGCERN Cc1ccc2c(c1)C=C(C(=O)NCc1ccc(N(C)C)cc1C)CO2 ZINC001353245566 1391972649 /nfs/dbraw/zinc/97/26/49/1391972649.db2.gz MGVWRTUDILGXIR-UHFFFAOYSA-N 0 0 336.435 3.462 10 10 EGCERN CS[C@H](C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001698331401 1406139469 /nfs/dbraw/zinc/13/94/69/1406139469.db2.gz JKPUQJBUVKLJHF-CYBMUJFWSA-N 0 0 334.489 3.495 10 10 EGCERN COc1ccc(C[NH2+]C/C=C\CNC(=O)c2oc(C)cc2C)cc1C ZINC001732838022 1429003137 /nfs/dbraw/zinc/00/31/37/1429003137.db2.gz IDYOCLVWJYZXBN-WAYWQWQTSA-N 0 0 342.439 3.289 10 10 EGCERN CC(C)(C)CCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001714956058 1419696843 /nfs/dbraw/zinc/69/68/43/1419696843.db2.gz YMFSQBYZXBVWSI-UHFFFAOYSA-N 0 0 345.447 3.089 10 10 EGCERN C[C@H]1C[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001752041295 1440134760 /nfs/dbraw/zinc/13/47/60/1440134760.db2.gz VYJJBQGXOKRQRO-YOEHRIQHSA-N 0 0 349.438 3.338 10 10 EGCERN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CC[C@H](C)C1 ZINC001761698335 1441373151 /nfs/dbraw/zinc/37/31/51/1441373151.db2.gz VKYGAKBKHSAHQK-AWEZNQCLSA-N 0 0 339.487 3.424 10 10 EGCERN COc1ccc(C[NH2+][C@@H](Cc2c(C)cccc2C)C(=O)[O-])cc1C ZINC000904072216 1126133456 /nfs/dbraw/zinc/13/34/56/1126133456.db2.gz WPWFSNQNZBSBRP-SFHVURJKSA-N 0 0 327.424 3.406 10 10 EGCERN CN(Cc1ccccc1O)C(=O)Cc1csc(-c2ccco2)n1 ZINC000053915778 214204972 /nfs/dbraw/zinc/20/49/72/214204972.db2.gz DDXCAQAVKWLVRO-UHFFFAOYSA-N 0 0 328.393 3.310 10 10 EGCERN CN(C)c1ccc(CNC(=O)Nc2cc(C(F)(F)F)no2)cc1 ZINC000058251084 214517348 /nfs/dbraw/zinc/51/73/48/214517348.db2.gz HZODVMIABAKNBK-UHFFFAOYSA-N 0 0 328.294 3.081 10 10 EGCERN Cc1nn(C)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccco1 ZINC000035678216 282293220 /nfs/dbraw/zinc/29/32/20/282293220.db2.gz WGNJKILRDUXFMG-WJDWOHSUSA-N 0 0 332.363 3.156 10 10 EGCERN CS(=O)(=O)Nc1ccc(O)c(-c2c(O)ccc3ccccc32)c1 ZINC000011615862 211227086 /nfs/dbraw/zinc/22/70/86/211227086.db2.gz QSIGBEHEDNADJG-UHFFFAOYSA-N 0 0 329.377 3.290 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccccc1C ZINC000095459358 218401155 /nfs/dbraw/zinc/40/11/55/218401155.db2.gz JXTRXGAGWWLPOO-KUHUBIRLSA-N 0 0 326.440 3.245 10 10 EGCERN CCCN1C(=O)C(=Cc2ccc(N3CCCC3)c(C)c2)NC1=S ZINC000005764865 210531758 /nfs/dbraw/zinc/53/17/58/210531758.db2.gz SKJLXRJWQHETDB-NTCAYCPXSA-N 0 0 329.469 3.063 10 10 EGCERN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O ZINC000006223989 452926947 /nfs/dbraw/zinc/92/69/47/452926947.db2.gz ORIZEWLEDYPLOP-OPCAMPFDSA-N 0 0 346.452 3.358 10 10 EGCERN Cc1cc(C(=O)[C@@H](C)Sc2nc(N)n[nH]2)c(C)n1-c1ccccc1 ZINC000006606869 452958111 /nfs/dbraw/zinc/95/81/11/452958111.db2.gz RBVVCHYYRIXLPA-GFCCVEGCSA-N 0 0 341.440 3.158 10 10 EGCERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000053916187 453900153 /nfs/dbraw/zinc/90/01/53/453900153.db2.gz LTHYODZJCSSXAW-GUYCJALGSA-N 0 0 338.407 3.259 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1scnc1C1CC1 ZINC000089820224 454207676 /nfs/dbraw/zinc/20/76/76/454207676.db2.gz VSLRRNJSUPJZRM-UHFFFAOYSA-N 0 0 329.425 3.126 10 10 EGCERN CC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000130973322 454229096 /nfs/dbraw/zinc/22/90/96/454229096.db2.gz FTSRPTADTMFOEN-PBHICJAKSA-N 0 0 327.476 3.482 10 10 EGCERN CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccccc1)N1CCOCC1 ZINC000100702222 454467402 /nfs/dbraw/zinc/46/74/02/454467402.db2.gz OAMAHSOPTLJUOF-VXPUYCOJSA-N 0 0 347.418 3.153 10 10 EGCERN OCC1CCN(c2ccc(CNc3ccnc(C4CC4)n3)cc2)CC1 ZINC000110238575 454843409 /nfs/dbraw/zinc/84/34/09/454843409.db2.gz YQEOIESNVMMVJU-UHFFFAOYSA-N 0 0 338.455 3.175 10 10 EGCERN Cc1nc([C@H](NCc2ccc(N(C)C)cc2)c2ccccc2F)no1 ZINC000114774263 454978199 /nfs/dbraw/zinc/97/81/99/454978199.db2.gz KRAQOXCUKVWXIM-GOSISDBHSA-N 0 0 340.402 3.462 10 10 EGCERN COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)n3)CC2)cc1 ZINC000183822304 455330720 /nfs/dbraw/zinc/33/07/20/455330720.db2.gz HZXVXLNTVARGBA-UHFFFAOYSA-N 0 0 346.818 3.098 10 10 EGCERN Cc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)c(O)c1O ZINC000182312285 455486005 /nfs/dbraw/zinc/48/60/05/455486005.db2.gz GSFONTUBVZKJHH-CZUORRHYSA-N 0 0 327.380 3.008 10 10 EGCERN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000191495626 455490494 /nfs/dbraw/zinc/49/04/94/455490494.db2.gz VMDJHGIJZRBJDO-UHFFFAOYSA-N 0 0 335.810 3.292 10 10 EGCERN COc1ccc(OC)c(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000293783480 455797568 /nfs/dbraw/zinc/79/75/68/455797568.db2.gz BEGFLBJOLWDBJI-UHFFFAOYSA-N 0 0 325.767 3.492 10 10 EGCERN NC(=O)c1cccc(C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C2CC2)c1 ZINC000294821493 455828220 /nfs/dbraw/zinc/82/82/20/455828220.db2.gz OYUXBTBNNAGLJF-UHFFFAOYSA-N 0 0 348.805 3.448 10 10 EGCERN CC(=O)N(C)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000279644937 455869676 /nfs/dbraw/zinc/86/96/76/455869676.db2.gz BCSJJPIOPVULCS-UHFFFAOYSA-N 0 0 339.439 3.008 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2ccnn2C)c1O ZINC000281232445 456173772 /nfs/dbraw/zinc/17/37/72/456173772.db2.gz CJWJPFOEXNFWJM-KRWDZBQOSA-N 0 0 331.391 3.195 10 10 EGCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC4(C3)CCCCC4)cc2N1 ZINC000301673781 456181461 /nfs/dbraw/zinc/18/14/61/456181461.db2.gz GKQZJWBYMOEMCE-UHFFFAOYSA-N 0 0 331.372 3.086 10 10 EGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccoc1C(F)(F)F ZINC000291706906 456727473 /nfs/dbraw/zinc/72/74/73/456727473.db2.gz PLJHSCVAJBLBJP-QMMMGPOBSA-N 0 0 329.274 3.071 10 10 EGCERN Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000364726827 457681286 /nfs/dbraw/zinc/68/12/86/457681286.db2.gz YUSKEOAVBOXQSA-SFHVURJKSA-N 0 0 342.483 3.315 10 10 EGCERN Cc1nnc2n1[C@@H](c1ccccc1O)N=C1Oc3ccccc3C=C21 ZINC000584655467 459779954 /nfs/dbraw/zinc/77/99/54/459779954.db2.gz MLFUHWUQVQPQDU-KRWDZBQOSA-N 0 0 330.347 3.184 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000028332356 546531444 /nfs/dbraw/zinc/53/14/44/546531444.db2.gz DCPTZRHGZMATKV-SFHVURJKSA-N 0 0 349.434 3.029 10 10 EGCERN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cncnc1 ZINC000357711469 547740165 /nfs/dbraw/zinc/74/01/65/547740165.db2.gz WHEFRBWCWVVTFK-VZUCSPMQSA-N 0 0 344.296 3.150 10 10 EGCERN CNC(=O)c1cncc(/C=C/C(=O)N(CC(C)C)c2ccccc2)c1 ZINC000731969293 575227601 /nfs/dbraw/zinc/22/76/01/575227601.db2.gz UXLGQWVIQYEXJN-MDZDMXLPSA-N 0 0 337.423 3.144 10 10 EGCERN COc1ccc(O)c(CNC(=O)Cc2csc3ccccc23)c1 ZINC000734016238 575427412 /nfs/dbraw/zinc/42/74/12/575427412.db2.gz MGBKYUXCKMLHJU-UHFFFAOYSA-N 0 0 327.405 3.474 10 10 EGCERN CO[C@H](C)CN(C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC000741082864 576654037 /nfs/dbraw/zinc/65/40/37/576654037.db2.gz PHQVSRMPMSBWLS-OAHLLOKOSA-N 0 0 333.476 3.024 10 10 EGCERN Cc1cc(C(=O)Cn2nnnc2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000743822407 576816298 /nfs/dbraw/zinc/81/62/98/576816298.db2.gz RDLMCTNKGISEKE-UHFFFAOYSA-N 0 0 341.390 3.226 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N3C[C@H]4CC[C@@H](C3)O4)c2C)cc1 ZINC000744635357 576832186 /nfs/dbraw/zinc/83/21/86/576832186.db2.gz SHBVUAFYVDXOPG-HDICACEKSA-N 0 0 340.423 3.106 10 10 EGCERN Cc1csc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000069327724 1292240296 /nfs/dbraw/zinc/24/02/96/1292240296.db2.gz GUVVVPIEAHBNPG-CYBMUJFWSA-N 0 0 332.473 3.420 10 10 EGCERN O=C(/C=C/c1ccncc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000095434337 1292945250 /nfs/dbraw/zinc/94/52/50/1292945250.db2.gz UKKFJUORNIFKEG-LKGOPFMKSA-N 0 0 338.407 3.008 10 10 EGCERN Cc1cc(C[C@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 ZINC000162020852 1294304640 /nfs/dbraw/zinc/30/46/40/1294304640.db2.gz ZTQZEAQEBDTPTP-ZDUSSCGKSA-N 0 0 336.439 3.487 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2Cc1nccn1Cc1ccccc1 ZINC000175030060 1294536231 /nfs/dbraw/zinc/53/62/31/1294536231.db2.gz SOVSJXUMAWJMHH-UHFFFAOYSA-N 0 0 348.450 3.396 10 10 EGCERN CN(Cc1cnccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183021066 1295093204 /nfs/dbraw/zinc/09/32/04/1295093204.db2.gz WDPXXXLGLSEVHU-UHFFFAOYSA-N 0 0 335.407 3.393 10 10 EGCERN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205131 1296270907 /nfs/dbraw/zinc/27/09/07/1296270907.db2.gz ORADIZFFLJVKOL-CYBMUJFWSA-N 0 0 348.443 3.270 10 10 EGCERN COc1ccc(C[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000871205341 1296272868 /nfs/dbraw/zinc/27/28/68/1296272868.db2.gz YYNMCVSIOLYOIW-CYBMUJFWSA-N 0 0 341.407 3.130 10 10 EGCERN C[C@@H]1CC[C@H]([NH3+])CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133125 1298235168 /nfs/dbraw/zinc/23/51/68/1298235168.db2.gz HQEBFYIJNUTQDS-KCJUWKMLSA-N 0 0 333.657 3.120 10 10 EGCERN CCO[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715737416 1298286706 /nfs/dbraw/zinc/28/67/06/1298286706.db2.gz IZOIPSGKAFZZLB-LBPRGKRZSA-N 0 0 332.213 3.295 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886297299 1303425718 /nfs/dbraw/zinc/42/57/18/1303425718.db2.gz NCCMHCHGPVQUIQ-OAHLLOKOSA-N 0 0 341.398 3.126 10 10 EGCERN CN1CCCc2cc(CNC(=O)C3C[C@H]4CC[C@@H](C3)S4)ccc21 ZINC000888578147 1304205370 /nfs/dbraw/zinc/20/53/70/1304205370.db2.gz GNHLBEDTLXTOGK-ALOPSCKCSA-N 0 0 330.497 3.359 10 10 EGCERN COc1cc(C)cc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1O ZINC000895190519 1309230455 /nfs/dbraw/zinc/23/04/55/1309230455.db2.gz SHBQOHOOXOGATQ-GXTWGEPZSA-N 0 0 333.350 3.299 10 10 EGCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000895536111 1309389067 /nfs/dbraw/zinc/38/90/67/1309389067.db2.gz HGOUVCCFRRVJNZ-AWEZNQCLSA-N 0 0 343.826 3.250 10 10 EGCERN O=C(NC[C@H]1CC1(Cl)Cl)c1cc2cc(O)c(O)cc2s1 ZINC000895633614 1309436917 /nfs/dbraw/zinc/43/69/17/1309436917.db2.gz GAZSSBFBWMSSSV-SSDOTTSWSA-N 0 0 332.208 3.236 10 10 EGCERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000895848474 1309557224 /nfs/dbraw/zinc/55/72/24/1309557224.db2.gz RJYRZGYFJUJHQO-DOMZBBRYSA-N 0 0 340.261 3.464 10 10 EGCERN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC(C)(C)O1 ZINC000897512717 1310357489 /nfs/dbraw/zinc/35/74/89/1310357489.db2.gz YVOQYWFUXKGMGZ-UHFFFAOYSA-N 0 0 335.425 3.342 10 10 EGCERN C[C@@]12CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]1C2(F)F ZINC000897820397 1310479955 /nfs/dbraw/zinc/47/99/55/1310479955.db2.gz QOWMUAJKFNQXHQ-DZGCQCFKSA-N 0 0 339.363 3.430 10 10 EGCERN CCn1cc([C@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC000897921163 1310516388 /nfs/dbraw/zinc/51/63/88/1310516388.db2.gz CPKYQSVSUGTSQJ-VIFPVBQESA-N 0 0 331.397 3.020 10 10 EGCERN CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](CC)CO1 ZINC000898273229 1310656557 /nfs/dbraw/zinc/65/65/57/1310656557.db2.gz UEVQGVOXICBJAT-NWDGAFQWSA-N 0 0 335.425 3.342 10 10 EGCERN C[C@@H]1CC=CC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000898891518 1310862936 /nfs/dbraw/zinc/86/29/36/1310862936.db2.gz DNFUCHOLWYHUEU-VQIMIIECSA-N 0 0 343.471 3.019 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCC3(CCCCO3)CC2)cc1 ZINC000899221906 1310984862 /nfs/dbraw/zinc/98/48/62/1310984862.db2.gz DVKFPIKWDTVQEA-UHFFFAOYSA-N 0 0 330.388 3.024 10 10 EGCERN O=C(NC1CCC2(COC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000899228694 1310989081 /nfs/dbraw/zinc/98/90/81/1310989081.db2.gz FOLNAFORWVUKGV-UHFFFAOYSA-N 0 0 333.409 3.002 10 10 EGCERN Cc1cc(-c2nc(C(=O)NCc3cc(Cl)ccc3O)co2)ccn1 ZINC000857548126 1328547200 /nfs/dbraw/zinc/54/72/00/1328547200.db2.gz FANLIAKQTHUWNV-UHFFFAOYSA-N 0 0 343.770 3.334 10 10 EGCERN C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(F)cc(F)c1[O-] ZINC000857875102 1328611816 /nfs/dbraw/zinc/61/18/16/1328611816.db2.gz GIKAJVKHPDHNIG-MGPLVRAMSA-N 0 0 332.350 3.034 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(C=O)cn1 ZINC000929541629 1328630425 /nfs/dbraw/zinc/63/04/25/1328630425.db2.gz WAQAIRGQIACWGF-UHFFFAOYSA-N 0 0 337.423 3.157 10 10 EGCERN Cc1cc(C(=O)N[C@H]2CCn3cncc32)c(C)n1-c1ccccc1C ZINC000857988271 1328649754 /nfs/dbraw/zinc/64/97/54/1328649754.db2.gz HNVKRGULMCDKGY-KRWDZBQOSA-N 0 0 334.423 3.474 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)cc1 ZINC000858128539 1328690428 /nfs/dbraw/zinc/69/04/28/1328690428.db2.gz SBGYHTYZXFCBMO-ZWKOTPCHSA-N 0 0 342.464 3.209 10 10 EGCERN CC(C)Cn1ccnc1CNCc1c(O)cccc1Br ZINC000858145436 1328695351 /nfs/dbraw/zinc/69/53/51/1328695351.db2.gz UITFOQMVZQOCKM-UHFFFAOYSA-N 0 0 338.249 3.297 10 10 EGCERN C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000858449565 1328765701 /nfs/dbraw/zinc/76/57/01/1328765701.db2.gz OHJPBUPAYAGXDO-PRHODGIISA-N 0 0 335.276 3.321 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)NC1([C@@H]2CCCCO2)CC1 ZINC000914180787 1319258592 /nfs/dbraw/zinc/25/85/92/1319258592.db2.gz WPECLUSKFCJNJJ-SFHVURJKSA-N 0 0 343.471 3.188 10 10 EGCERN CN(C)c1ccc(CNC(=O)NCc2cnc(Cl)s2)cc1F ZINC000915366439 1319476098 /nfs/dbraw/zinc/47/60/98/1319476098.db2.gz OSBNWKOUYYWLDD-UHFFFAOYSA-N 0 0 342.827 3.001 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCc3cc(F)c(F)cc32)cc1 ZINC000915927418 1319564094 /nfs/dbraw/zinc/56/40/94/1319564094.db2.gz MCBGYJZDJHMKKM-UHFFFAOYSA-N 0 0 331.366 3.303 10 10 EGCERN Cc1cc(C(=O)CN(CCO)C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000916645067 1319691057 /nfs/dbraw/zinc/69/10/57/1319691057.db2.gz QGBXFZJIUKFHIM-UHFFFAOYSA-N 0 0 332.419 3.119 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000858887321 1328883384 /nfs/dbraw/zinc/88/33/84/1328883384.db2.gz SROGGIYQNVCTJA-FHLIZLRMSA-N 0 0 342.826 3.492 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnn1C1CCC1 ZINC000930905392 1329002549 /nfs/dbraw/zinc/00/25/49/1329002549.db2.gz FCBDAUSVJNKNIE-UHFFFAOYSA-N 0 0 326.444 3.336 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12CCO[C@@H]1CCCC2 ZINC000930905489 1329003008 /nfs/dbraw/zinc/00/30/08/1329003008.db2.gz HIEZDRVNNCOJSL-UYAOXDASSA-N 0 0 330.472 3.450 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(F)(C2CC2)CC1 ZINC000919918197 1322117483 /nfs/dbraw/zinc/11/74/83/1322117483.db2.gz KFQXKKWQVLZDJM-UHFFFAOYSA-N 0 0 343.446 3.487 10 10 EGCERN O=C(NCCCSc1nccs1)NC1([C@@H]2CCCCO2)CC1 ZINC000921447611 1322317368 /nfs/dbraw/zinc/31/73/68/1322317368.db2.gz NUCLRCWBXXBXQM-LBPRGKRZSA-N 0 0 341.502 3.026 10 10 EGCERN C[C@]1(CCNC(=O)NCc2c(O)cccc2F)CC1(Cl)Cl ZINC000922734250 1322605511 /nfs/dbraw/zinc/60/55/11/1322605511.db2.gz AHZXPCGYPWMFPX-ZDUSSCGKSA-N 0 0 335.206 3.305 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1c2ccccc2CC[C@H]1F ZINC000924028697 1322877705 /nfs/dbraw/zinc/87/77/05/1322877705.db2.gz BUMWFJWVAMXFPZ-WBVHZDCISA-N 0 0 332.350 3.356 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000924093556 1322899003 /nfs/dbraw/zinc/89/90/03/1322899003.db2.gz DIUQCECQPXFMDN-XVBBPSCPSA-N 0 0 341.329 3.302 10 10 EGCERN CCn1ncc(NC(=O)N2Cc3cccc(O)c3C2)c1C(F)(F)F ZINC000931263118 1329081854 /nfs/dbraw/zinc/08/18/54/1329081854.db2.gz MEWVWXRFAVMOHP-UHFFFAOYSA-N 0 0 340.305 3.175 10 10 EGCERN COC(=O)/C=C\c1ccc(N(C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000931303339 1329089067 /nfs/dbraw/zinc/08/90/67/1329089067.db2.gz FXOBZSMJZPMKSQ-VURMDHGXSA-N 0 0 332.381 3.479 10 10 EGCERN COc1cccc(CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)c1O ZINC000860240244 1329181796 /nfs/dbraw/zinc/18/17/96/1329181796.db2.gz DSQRTTNAULACGX-UHFFFAOYSA-N 0 0 326.396 3.414 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C(C)C)c2Cl)c1 ZINC000860241270 1329181857 /nfs/dbraw/zinc/18/18/57/1329181857.db2.gz HBHIPLMMICHWCB-JTQLQIEISA-N 0 0 337.807 3.323 10 10 EGCERN CCO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])CN(C)C ZINC000926958284 1327797949 /nfs/dbraw/zinc/79/79/49/1327797949.db2.gz GCPYQPPBHJUXAM-QWRGUYRKSA-N 0 0 335.275 3.316 10 10 EGCERN CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000927130238 1327881787 /nfs/dbraw/zinc/88/17/87/1327881787.db2.gz MGSNUTADSLCGIF-OCCSQVGLSA-N 0 0 344.242 3.207 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCC3(CCC3)O2)cc1 ZINC000927154716 1327896018 /nfs/dbraw/zinc/89/60/18/1327896018.db2.gz GGPPETJVBXEZEX-GOSISDBHSA-N 0 0 345.487 3.386 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Nc1cnc(OC)c(OC)c1 ZINC000861416629 1329417535 /nfs/dbraw/zinc/41/75/35/1329417535.db2.gz UUKRLDAHCBISKC-UHFFFAOYSA-N 0 0 345.399 3.249 10 10 EGCERN Cc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2F)cc1C ZINC000928710839 1328405672 /nfs/dbraw/zinc/40/56/72/1328405672.db2.gz WRPGSUDPLFIDJQ-UHFFFAOYSA-N 0 0 329.371 3.427 10 10 EGCERN COc1ccc(CNC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)c(O)c1 ZINC000861490561 1329421658 /nfs/dbraw/zinc/42/16/58/1329421658.db2.gz WPWGBAIDGPTESS-CGTJXYLNSA-N 0 0 343.810 3.256 10 10 EGCERN Oc1cccc(Br)c1CN1CCOC[C@@H]1CC(F)F ZINC000862365708 1329478319 /nfs/dbraw/zinc/47/83/19/1329478319.db2.gz DKEXRMNGLNRTTA-VIFPVBQESA-N 0 0 336.176 3.011 10 10 EGCERN Nc1ccc(CCNC(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1 ZINC000861640465 1329433792 /nfs/dbraw/zinc/43/37/92/1329433792.db2.gz LWPOUGGIUSHIDN-RCCFBDPRSA-N 0 0 341.842 3.102 10 10 EGCERN Cc1cc(Cl)cc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c1O ZINC000862365360 1329478568 /nfs/dbraw/zinc/47/85/68/1329478568.db2.gz PQUSCMBGRWDEJA-ZDUSSCGKSA-N 0 0 333.741 3.481 10 10 EGCERN C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000863547744 1329562350 /nfs/dbraw/zinc/56/23/50/1329562350.db2.gz XNRLRJDEDWQRCH-RGNHYFCHSA-N 0 0 333.657 3.209 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC000865027674 1329662850 /nfs/dbraw/zinc/66/28/50/1329662850.db2.gz ZRJZZDZOXYDDQV-UHFFFAOYSA-N 0 0 349.438 3.200 10 10 EGCERN COc1ccc(N2CCC(Nc3ccc([C@H](C)O)cn3)CC2)cc1 ZINC000865501081 1329705950 /nfs/dbraw/zinc/70/59/50/1329705950.db2.gz MYTAYFJOFKEMRO-AWEZNQCLSA-N 0 0 327.428 3.224 10 10 EGCERN CCOCc1cc(CNCc2nn(C)cc2C(F)F)ccc1OC ZINC000865809578 1329741001 /nfs/dbraw/zinc/74/10/01/1329741001.db2.gz XWWKZIWJGIKFRA-UHFFFAOYSA-N 0 0 339.386 3.193 10 10 EGCERN Cc1cc(CNC(=O)c2nnc(C3CC3)o2)c(C)n1-c1ccccc1 ZINC000866025728 1329759934 /nfs/dbraw/zinc/75/99/34/1329759934.db2.gz MEKIZAFAKWGFKY-UHFFFAOYSA-N 0 0 336.395 3.285 10 10 EGCERN CC(C)(C)OC(=O)c1ccccc1CC(=O)NCc1ccccc1O ZINC000866756121 1330147490 /nfs/dbraw/zinc/14/74/90/1330147490.db2.gz PZXKQRPSXIIENZ-UHFFFAOYSA-N 0 0 341.407 3.206 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)/C=C\COC1CCOCC1 ZINC000868110074 1330250381 /nfs/dbraw/zinc/25/03/81/1330250381.db2.gz RSZOFWUDOUBMSC-TWGQIWQCSA-N 0 0 347.455 3.273 10 10 EGCERN C[C@H](NC(=O)NCC1(c2ccccn2)CCC1)c1ccccc1O ZINC000868603101 1330298850 /nfs/dbraw/zinc/29/88/50/1330298850.db2.gz UZMUQEORYKXDPX-AWEZNQCLSA-N 0 0 325.412 3.269 10 10 EGCERN C[C@@H](NC(=O)NC[C@H]1CSc2ccccc2O1)c1ccccc1O ZINC000868733289 1330326142 /nfs/dbraw/zinc/32/61/42/1330326142.db2.gz XXFVLEDHNSJCIP-OLZOCXBDSA-N 0 0 344.436 3.306 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)C3(C(F)F)CCC3)C2)cc1 ZINC000868957179 1330380909 /nfs/dbraw/zinc/38/09/09/1330380909.db2.gz XQLOMMRQXFJSJY-CYBMUJFWSA-N 0 0 338.398 3.073 10 10 EGCERN Cc1nc(Cl)ccc1CC(=O)Nc1c2nonc2ccc1Cl ZINC001324142189 1387547779 /nfs/dbraw/zinc/54/77/79/1387547779.db2.gz YJENFYANVPUQDZ-UHFFFAOYSA-N 0 0 337.166 3.414 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C(C)(C)C(C)(F)F)CC2)cc1 ZINC001324708117 1387745568 /nfs/dbraw/zinc/74/55/68/1387745568.db2.gz JCWSNJBUGHMCQR-UHFFFAOYSA-N 0 0 340.414 3.415 10 10 EGCERN O=S(=O)(c1ccc(N2Cc3cccc(O)c3C2)cc1)C(F)(F)F ZINC001187405111 1388103226 /nfs/dbraw/zinc/10/32/26/1388103226.db2.gz MIDMSFNOESSFDI-UHFFFAOYSA-N 0 0 343.326 3.206 10 10 EGCERN Cc1cc(C(=O)CN2CC[C@@]23CCOC3)c(C)n1-c1ccc(F)cc1 ZINC001117989725 1371116945 /nfs/dbraw/zinc/11/69/45/1371116945.db2.gz MVDRJKNMEKCNKY-FQEVSTJZSA-N 0 0 342.414 3.281 10 10 EGCERN O=C(NCc1cccc(Br)c1O)[C@H]1CCC[C@@H](F)C1 ZINC001118093115 1371130987 /nfs/dbraw/zinc/13/09/87/1371130987.db2.gz MUAJGMOABAUQLQ-GXSJLCMTSA-N 0 0 330.197 3.299 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC001326157294 1388120716 /nfs/dbraw/zinc/12/07/16/1388120716.db2.gz XTVWMOWJELMXPU-HZPDHXFCSA-N 0 0 334.435 3.262 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC[C@H](F)C3)C2)cc1 ZINC001326170210 1388123101 /nfs/dbraw/zinc/12/31/01/1388123101.db2.gz OOPOBZBNYXEAHY-OAGGEKHMSA-N 0 0 334.435 3.166 10 10 EGCERN CO[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001124549299 1372711322 /nfs/dbraw/zinc/71/13/22/1372711322.db2.gz HCGINMHBQDASTG-MJGOQNOKSA-N 0 0 330.472 3.450 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cnc1F ZINC001124622786 1372717423 /nfs/dbraw/zinc/71/74/23/1372717423.db2.gz KVRROIRWTKCDNX-UHFFFAOYSA-N 0 0 327.403 3.402 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001126440886 1372965651 /nfs/dbraw/zinc/96/56/51/1372965651.db2.gz PQDWCNMQGPHPEJ-INIZCTEOSA-N 0 0 342.826 3.471 10 10 EGCERN CC[C@@H](C)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032150 1375107652 /nfs/dbraw/zinc/10/76/52/1375107652.db2.gz LZAVVAQIHNTJBN-HUUCEWRRSA-N 0 0 334.460 3.035 10 10 EGCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCOC(C)(C)[C@H]1C ZINC001230194339 1375965004 /nfs/dbraw/zinc/96/50/04/1375965004.db2.gz AAEJLEZJZSWTDH-HZPDHXFCSA-N 0 0 347.503 3.201 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=C[S@@](=O)CCC1 ZINC001135968011 1377280449 /nfs/dbraw/zinc/28/04/49/1377280449.db2.gz FZLORVDNZANHHL-DEOSSOPVSA-N 0 0 346.496 3.062 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2c[nH]ccc-2n1 ZINC001136025758 1377303183 /nfs/dbraw/zinc/30/31/83/1377303183.db2.gz YGWYHJGBQHBIGT-UHFFFAOYSA-N 0 0 334.423 3.435 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC001140863586 1378162196 /nfs/dbraw/zinc/16/21/96/1378162196.db2.gz RWUQWLHAGUJECY-DBGMKRSLSA-N 0 0 349.308 3.332 10 10 EGCERN CN(c1ccc(CNC(=O)c2ncccc2O)cc1)C1CCCCC1 ZINC001142528326 1378454436 /nfs/dbraw/zinc/45/44/36/1378454436.db2.gz RYMGXCGXBCWWSA-UHFFFAOYSA-N 0 0 339.439 3.486 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC2(CC2(F)F)C1 ZINC001327782204 1388595758 /nfs/dbraw/zinc/59/57/58/1388595758.db2.gz FMGDTKLMFOYSIR-UHFFFAOYSA-N 0 0 337.414 3.472 10 10 EGCERN C[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)c1ccccc1O ZINC001151892108 1379811510 /nfs/dbraw/zinc/81/15/10/1379811510.db2.gz JMVCCHYBTMARKV-NSHDSACASA-N 0 0 343.408 3.314 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[C@H](F)C1 ZINC001328009808 1388644554 /nfs/dbraw/zinc/64/45/54/1388644554.db2.gz KWAYJJBZSVOSQJ-HOTGVXAUSA-N 0 0 336.476 3.384 10 10 EGCERN Cc1nc2cc(F)ccc2cc1C(=O)NCc1cccc(O)c1O ZINC001153792305 1380130653 /nfs/dbraw/zinc/13/06/53/1380130653.db2.gz RAJFHTMFSPOCDT-UHFFFAOYSA-N 0 0 326.327 3.024 10 10 EGCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)c(Br)s1 ZINC001153885131 1380149566 /nfs/dbraw/zinc/14/95/66/1380149566.db2.gz LENWQCZZLLFVHX-UHFFFAOYSA-N 0 0 342.214 3.160 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H](CO)[C@@H]2C)c(C)n1-c1ccccc1C ZINC001155891708 1380502886 /nfs/dbraw/zinc/50/28/86/1380502886.db2.gz CGYMHYMOGPTNJK-RDJZCZTQSA-N 0 0 326.440 3.245 10 10 EGCERN O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1c(O)cccc1O ZINC001156881033 1380715803 /nfs/dbraw/zinc/71/58/03/1380715803.db2.gz MHZOHQDSRPOZSL-CYBMUJFWSA-N 0 0 339.313 3.450 10 10 EGCERN C[C@@]1(C(=O)NCc2c(O)ccc3ccccc32)COc2ccccc2O1 ZINC001157050491 1380761073 /nfs/dbraw/zinc/76/10/73/1380761073.db2.gz HNDXWMIYIFNYIU-NRFANRHFSA-N 0 0 349.386 3.392 10 10 EGCERN Cc1cc(C(=O)NCC[C@H](O)C2CC2)c(C)n1-c1ccccc1C ZINC001158952811 1381482963 /nfs/dbraw/zinc/48/29/63/1381482963.db2.gz VRFFKBCMXNMONB-IBGZPJMESA-N 0 0 326.440 3.293 10 10 EGCERN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(-n2cccn2)c(F)c1 ZINC001159125575 1381630162 /nfs/dbraw/zinc/63/01/62/1381630162.db2.gz FACPENJXEFQTLK-SNVBAGLBSA-N 0 0 331.372 3.270 10 10 EGCERN O=C(Nc1ccc2c(c1)CCO2)c1cc2cc(O)c(O)cc2s1 ZINC001292390808 1382188104 /nfs/dbraw/zinc/18/81/04/1382188104.db2.gz CORMFCMNEDNBGZ-UHFFFAOYSA-N 0 0 327.361 3.500 10 10 EGCERN Cc1c(F)ccc(N)c1C(=O)NCCCSc1nccs1 ZINC001292997854 1382243266 /nfs/dbraw/zinc/24/32/66/1382243266.db2.gz SQXBVSPXTDNORQ-UHFFFAOYSA-N 0 0 325.434 3.085 10 10 EGCERN CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001293683169 1382335099 /nfs/dbraw/zinc/33/50/99/1382335099.db2.gz ZFHWXLGNLXXCHZ-SJORKVTESA-N 0 0 335.444 3.083 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCc3cc(F)ccc3C2)cc1 ZINC001295198647 1382568418 /nfs/dbraw/zinc/56/84/18/1382568418.db2.gz OBNFQUGRIHTPMD-UHFFFAOYSA-N 0 0 326.331 3.187 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc2ncccc2c1 ZINC001162607744 1382807273 /nfs/dbraw/zinc/80/72/73/1382807273.db2.gz XGFQIFHIIRIJDZ-UHFFFAOYSA-N 0 0 329.359 3.419 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CSC(F)(F)F ZINC001296247738 1382935115 /nfs/dbraw/zinc/93/51/15/1382935115.db2.gz XCHZEDMLSMEHMN-DTWKUNHWSA-N 0 0 337.363 3.034 10 10 EGCERN Cc1ccc([C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(F)(F)F)o1 ZINC001163678088 1383104268 /nfs/dbraw/zinc/10/42/68/1383104268.db2.gz ROTOSKMFBMAFLI-IJVDHGTGSA-N 0 0 341.285 3.432 10 10 EGCERN Cc1cc(CCNc2ccncc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC001163851967 1383129499 /nfs/dbraw/zinc/12/94/99/1383129499.db2.gz ITEDHMFARJNSQI-UHFFFAOYSA-N 0 0 336.395 3.474 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccc(Cn2cccn2)cc1 ZINC001165499088 1383302988 /nfs/dbraw/zinc/30/29/88/1383302988.db2.gz VVAUNBAPFXZWKT-UHFFFAOYSA-N 0 0 341.798 3.220 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cc2c(cncc2Cl)s1 ZINC001299572139 1383573092 /nfs/dbraw/zinc/57/30/92/1383573092.db2.gz BYHAHJANNATRDI-UHFFFAOYSA-N 0 0 334.784 3.291 10 10 EGCERN Cc1ccc(O)c(CNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC001167293636 1383586703 /nfs/dbraw/zinc/58/67/03/1383586703.db2.gz MHCSDUMURHOJDA-OAHLLOKOSA-N 0 0 340.206 3.357 10 10 EGCERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001299721865 1383622570 /nfs/dbraw/zinc/62/25/70/1383622570.db2.gz TWJZVUMEYZMMTM-UHFFFAOYSA-N 0 0 337.335 3.087 10 10 EGCERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCc1cc(Cl)ccc1O ZINC001300402495 1383662782 /nfs/dbraw/zinc/66/27/82/1383662782.db2.gz YEMAOMJJQZYTCQ-VIFPVBQESA-N 0 0 341.741 3.408 10 10 EGCERN Cc1cc(C(=O)N2Cc3cncnc3[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC001302947441 1383774808 /nfs/dbraw/zinc/77/48/08/1383774808.db2.gz OYUSFNURCMXAII-ZDUSSCGKSA-N 0 0 347.422 3.039 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)c(F)c1 ZINC001304053400 1383825191 /nfs/dbraw/zinc/82/51/91/1383825191.db2.gz KGQYPTMBAZTGJV-UHFFFAOYSA-N 0 0 329.249 3.186 10 10 EGCERN O=C(NCc1c(O)cccc1O)[C@H](c1ccncc1)C1CCCC1 ZINC001304053649 1383826380 /nfs/dbraw/zinc/82/63/80/1383826380.db2.gz QESZJGUCAGVWNS-SFHVURJKSA-N 0 0 326.396 3.083 10 10 EGCERN CN(CCCOc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC001168215125 1383845388 /nfs/dbraw/zinc/84/53/88/1383845388.db2.gz PZQRQQKAAGIAFM-UHFFFAOYSA-N 0 0 329.352 3.049 10 10 EGCERN COc1cncc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001168293533 1383865922 /nfs/dbraw/zinc/86/59/22/1383865922.db2.gz PNNIWAAMVFOBFG-UHFFFAOYSA-N 0 0 349.434 3.357 10 10 EGCERN CCN(Cc1nnc(-c2ccccc2O)o1)c1ccc(OC)cc1 ZINC001307551285 1384000695 /nfs/dbraw/zinc/00/06/95/1384000695.db2.gz FWZWFUORESPQTO-UHFFFAOYSA-N 0 0 325.368 3.477 10 10 EGCERN CCC1(CC)[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C[C@@H]1OC ZINC001312347838 1384341639 /nfs/dbraw/zinc/34/16/39/1384341639.db2.gz HUGMQWTWWJXYGC-GJZGRUSLSA-N 0 0 340.851 3.439 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC001312549082 1384356742 /nfs/dbraw/zinc/35/67/42/1384356742.db2.gz PFGYRDXTWCFPOG-GOSISDBHSA-N 0 0 345.487 3.386 10 10 EGCERN CCC[C@@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)OC ZINC001312758492 1384368859 /nfs/dbraw/zinc/36/88/59/1384368859.db2.gz OITVTJNNMIPSFU-QAPCUYQASA-N 0 0 335.492 3.106 10 10 EGCERN CCOCc1nnc(N(C)CC)n1Cc1ccc(N(CC)CC)cc1 ZINC001314303235 1384436952 /nfs/dbraw/zinc/43/69/52/1384436952.db2.gz DVUVVWIQDYJJNO-UHFFFAOYSA-N 0 0 345.491 3.165 10 10 EGCERN COc1ccc(N2CCN(Cc3c(C)nsc3C)CC2)c(OC)c1 ZINC001175522089 1385319830 /nfs/dbraw/zinc/31/98/30/1385319830.db2.gz CNLWHYSEHWFMOJ-UHFFFAOYSA-N 0 0 347.484 3.099 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC001329142558 1388987946 /nfs/dbraw/zinc/98/79/46/1388987946.db2.gz RRAWIGJVRMUIOG-HUUCEWRRSA-N 0 0 334.435 3.309 10 10 EGCERN CC(C)(C(=O)NCc1c(O)cccc1F)c1ccccc1[N+](=O)[O-] ZINC001178413699 1386210148 /nfs/dbraw/zinc/21/01/48/1386210148.db2.gz WSAUADBDPXHICG-UHFFFAOYSA-N 0 0 332.331 3.034 10 10 EGCERN Cc1ccncc1/C=C/C(=O)N1CCCc2c3ncn(C)c3ccc21 ZINC001181224342 1386963099 /nfs/dbraw/zinc/96/30/99/1386963099.db2.gz XKYKEESWYRSZFP-VMPITWQZSA-N 0 0 332.407 3.269 10 10 EGCERN COc1cc(C)cc(CN2CCOC[C@@H]2c2cccc(F)c2)c1O ZINC001330663634 1389489208 /nfs/dbraw/zinc/48/92/08/1389489208.db2.gz ABLSLWOAJBEAJG-QGZVFWFLSA-N 0 0 331.387 3.422 10 10 EGCERN O=C(NCc1c(O)cccc1F)NC1CCC2(CCOCC2)CC1 ZINC001334315245 1390515275 /nfs/dbraw/zinc/51/52/75/1390515275.db2.gz WXAURWRYJPSFTE-UHFFFAOYSA-N 0 0 336.407 3.070 10 10 EGCERN Cc1ccccc1CO[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001334955646 1390626121 /nfs/dbraw/zinc/62/61/21/1390626121.db2.gz RNEQWNABVBQLLL-HNNXBMFYSA-N 0 0 344.430 3.422 10 10 EGCERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1Cc2cccnc2C1 ZINC001346874563 1390984057 /nfs/dbraw/zinc/98/40/57/1390984057.db2.gz NYOAKNFGDPGHMS-GOSISDBHSA-N 0 0 335.451 3.103 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H]2[C@@H]2CCCOC2)c(C)n1-c1ccccn1 ZINC001347627135 1391102302 /nfs/dbraw/zinc/10/23/02/1391102302.db2.gz CDUZIKZNUZZIGM-SJLPKXTDSA-N 0 0 339.439 3.130 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@@]12CCCOC2 ZINC001347661085 1391107848 /nfs/dbraw/zinc/10/78/48/1391107848.db2.gz OWTLGHNDTWPFNF-SFHVURJKSA-N 0 0 347.436 3.488 10 10 EGCERN Cc1cccc(CO[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001348912239 1391283120 /nfs/dbraw/zinc/28/31/20/1391283120.db2.gz VQMCMSFEZQSQHU-MRXNPFEDSA-N 0 0 326.440 3.283 10 10 EGCERN O=C(NCc1cccc(O)c1O)[C@@H](Cc1cccnc1)C1CCCC1 ZINC001349080012 1391301027 /nfs/dbraw/zinc/30/10/27/1391301027.db2.gz WRXPBMMRHIEUND-KRWDZBQOSA-N 0 0 340.423 3.158 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn(C)c1C1CC1 ZINC001351674206 1391668581 /nfs/dbraw/zinc/66/85/81/1391668581.db2.gz SAOSIBZQMIOTLU-UHFFFAOYSA-N 0 0 338.455 3.170 10 10 EGCERN CN1C(=O)/C(=C\c2cn(C3CC3)cn2)c2cc(Br)ccc21 ZINC001351757028 1391684712 /nfs/dbraw/zinc/68/47/12/1391684712.db2.gz ODPURHNFRXOAJI-AUWJEWJLSA-N 0 0 344.212 3.498 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)cc1 ZINC001353504029 1392025445 /nfs/dbraw/zinc/02/54/45/1392025445.db2.gz OINNNDKQGRWIFH-KRWDZBQOSA-N 0 0 346.377 3.469 10 10 EGCERN CN(Cc1ccccc1O)c1nnc([C@@H]2CCCCO2)n1C1CC1 ZINC001503487104 1396256524 /nfs/dbraw/zinc/25/65/24/1396256524.db2.gz GHPVAUONQIJRNG-INIZCTEOSA-N 0 0 328.416 3.197 10 10 EGCERN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CCC1CC1 ZINC001503489276 1396256620 /nfs/dbraw/zinc/25/66/20/1396256620.db2.gz NTTNKWVRXUMQTD-QGZVFWFLSA-N 0 0 342.443 3.272 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCSC1(C)C ZINC001707861548 1417384427 /nfs/dbraw/zinc/38/44/27/1417384427.db2.gz MUKQEHOTIMYCBO-HNNXBMFYSA-N 0 0 346.500 3.460 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C3CCC3)nnc2N(C)OC)cc1 ZINC001710026568 1417460510 /nfs/dbraw/zinc/46/05/10/1417460510.db2.gz LBKLVUFPBMLNFS-UHFFFAOYSA-N 0 0 343.475 3.438 10 10 EGCERN Cc1nnc(N(C)Cc2ccco2)n1CCCSc1nccs1 ZINC001726356547 1427048792 /nfs/dbraw/zinc/04/87/92/1427048792.db2.gz BTWSOSOJBSMUPS-UHFFFAOYSA-N 0 0 349.485 3.455 10 10 EGCERN C[C@H]1C[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001726490809 1427064134 /nfs/dbraw/zinc/06/41/34/1427064134.db2.gz LUWUOTOYJMKVJX-XJKSGUPXSA-N 0 0 326.444 3.229 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1CCc1cccs1 ZINC001762516021 1441376006 /nfs/dbraw/zinc/37/60/06/1441376006.db2.gz SVFUZWZUWJFSKE-UHFFFAOYSA-N 0 0 328.441 3.233 10 10 EGCERN COc1cccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)c1 ZINC000027229420 212550213 /nfs/dbraw/zinc/55/02/13/212550213.db2.gz NVDFUGFPBJTIBA-GXDHUFHOSA-N 0 0 330.434 3.440 10 10 EGCERN Cc1cc(CNC(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000021881187 212258188 /nfs/dbraw/zinc/25/81/88/212258188.db2.gz VPLOXRCRJDZJJT-LJQANCHMSA-N 0 0 341.455 3.381 10 10 EGCERN Cc1nc([C@H](C)NC(=O)NCCCSc2nccs2)cs1 ZINC000089709059 217831502 /nfs/dbraw/zinc/83/15/02/217831502.db2.gz YZUCPMYSDOTUDS-VIFPVBQESA-N 0 0 342.515 3.451 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1cnccn1 ZINC000298917641 132396391 /nfs/dbraw/zinc/39/63/91/132396391.db2.gz BCQOZKRSYKLRLR-JXMROGBWSA-N 0 0 336.439 3.139 10 10 EGCERN CCN1c2cc(Cl)ccc2S/C1=C1/SC(=S)N(N)C1=O ZINC000000975177 276254350 /nfs/dbraw/zinc/25/43/50/276254350.db2.gz SMQUAUGTPDMGCX-PKNBQFBNSA-N 0 0 343.886 3.175 10 10 EGCERN Cc1cc(C(=O)[C@H](C)Sc2nc(N)n[nH]2)c(C)n1-c1ccccc1 ZINC000006606872 452958854 /nfs/dbraw/zinc/95/88/54/452958854.db2.gz RBVVCHYYRIXLPA-LBPRGKRZSA-N 0 0 341.440 3.158 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000190693869 455367581 /nfs/dbraw/zinc/36/75/81/455367581.db2.gz RVOBNZFIFKPSDM-INIZCTEOSA-N 0 0 342.395 3.032 10 10 EGCERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000053916177 453900203 /nfs/dbraw/zinc/90/02/03/453900203.db2.gz HFWTXZSUFFEUHJ-DYVFJYSZSA-N 0 0 338.407 3.259 10 10 EGCERN COc1ccc(N2CCN([C@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 ZINC000058158581 454166687 /nfs/dbraw/zinc/16/66/87/454166687.db2.gz XVRSSYDVQSRDDB-CQSZACIVSA-N 0 0 344.459 3.259 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000071844084 454230230 /nfs/dbraw/zinc/23/02/30/454230230.db2.gz GLTUHULVROSXJM-QGZVFWFLSA-N 0 0 325.412 3.028 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1ccccc1F ZINC000046394379 454249522 /nfs/dbraw/zinc/24/95/22/454249522.db2.gz YUILYYUJBLXPSS-UHFFFAOYSA-N 0 0 340.402 3.239 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@@H](C)O)CC2)cc1 ZINC000118729226 455110215 /nfs/dbraw/zinc/11/02/15/455110215.db2.gz LUWYKMVRNLDXEL-MRXNPFEDSA-N 0 0 326.440 3.327 10 10 EGCERN Cc1nc(NC(=O)N2CCOc3cc(N(C)C)ccc32)sc1C ZINC000181220812 455303943 /nfs/dbraw/zinc/30/39/43/455303943.db2.gz MEZYLBWNBGEAFA-UHFFFAOYSA-N 0 0 332.429 3.257 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccc(C)o3)C2)c1O ZINC000158967504 455341420 /nfs/dbraw/zinc/34/14/20/455341420.db2.gz XVEGKFZTJKKHLV-QGZVFWFLSA-N 0 0 333.359 3.209 10 10 EGCERN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000185170446 455515039 /nfs/dbraw/zinc/51/50/39/455515039.db2.gz QOFGRRHGIKRCDA-RYUDHWBXSA-N 0 0 337.416 3.347 10 10 EGCERN Cc1cccc2c1OCC[C@H]2NC(=O)N(C)Cc1ccccc1O ZINC000191900032 455530213 /nfs/dbraw/zinc/53/02/13/455530213.db2.gz QNIAVORBHMYORH-MRXNPFEDSA-N 0 0 326.396 3.366 10 10 EGCERN CC(C)(C)C[C@H](O)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000292316546 455626781 /nfs/dbraw/zinc/62/67/81/455626781.db2.gz WLMZDBSAMRJLEM-IAGOWNOFSA-N 0 0 349.471 3.087 10 10 EGCERN C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192613326 455654131 /nfs/dbraw/zinc/65/41/31/455654131.db2.gz GWWVHZRFZMXRMI-SNVBAGLBSA-N 0 0 331.243 3.362 10 10 EGCERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000193129115 455744565 /nfs/dbraw/zinc/74/45/65/455744565.db2.gz HNZRLPOPCMJXPC-GFCCVEGCSA-N 0 0 337.379 3.083 10 10 EGCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCOCC2 ZINC000186455189 455772745 /nfs/dbraw/zinc/77/27/45/455772745.db2.gz NNBNDNHPXLDUNT-HUUCEWRRSA-N 0 0 325.836 3.109 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CC=C(c3ccnn3C)CC2)c1O ZINC000285525368 455863613 /nfs/dbraw/zinc/86/36/13/455863613.db2.gz HAOKQDHXDBJLGH-UHFFFAOYSA-N 0 0 345.830 3.271 10 10 EGCERN COc1ccc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1F ZINC000301560966 456145758 /nfs/dbraw/zinc/14/57/58/456145758.db2.gz KFWNRYBIRFILLT-UHFFFAOYSA-N 0 0 344.434 3.383 10 10 EGCERN CC(C)C[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301668174 456180302 /nfs/dbraw/zinc/18/03/02/456180302.db2.gz NARINNQGKOSFEN-GFCCVEGCSA-N 0 0 333.388 3.188 10 10 EGCERN COC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000273347888 456223680 /nfs/dbraw/zinc/22/36/80/456223680.db2.gz BAYDSGFWXFYNJK-DYVFJYSZSA-N 0 0 329.396 3.217 10 10 EGCERN CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273415948 456228530 /nfs/dbraw/zinc/22/85/30/456228530.db2.gz QYADXNRTBJUNQA-CYBMUJFWSA-N 0 0 344.415 3.392 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCSCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302741538 456388557 /nfs/dbraw/zinc/38/85/57/456388557.db2.gz RJRDIDVBQXPXFN-FUEXJSSKSA-N 0 0 336.413 3.113 10 10 EGCERN CCCN(CCC)c1ccc(CN2CCn3cnnc3[C@@H]2C)cc1 ZINC000276776643 456577043 /nfs/dbraw/zinc/57/70/43/456577043.db2.gz IVVWQUQIDCLODH-INIZCTEOSA-N 0 0 327.476 3.481 10 10 EGCERN Cc1ccc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)o1 ZINC000282652048 456582660 /nfs/dbraw/zinc/58/26/60/456582660.db2.gz FUEUGOWKBFMIDJ-UHFFFAOYSA-N 0 0 325.412 3.306 10 10 EGCERN Cc1ccc(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cn1 ZINC000370703914 457702684 /nfs/dbraw/zinc/70/26/84/457702684.db2.gz VJAUXTDTUJPQKX-QPJJXVBHSA-N 0 0 338.407 3.221 10 10 EGCERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000366532391 457841508 /nfs/dbraw/zinc/84/15/08/457841508.db2.gz OSUGESBBEZCSKV-YTRHGNHMSA-N 0 0 339.391 3.148 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000371279942 457848495 /nfs/dbraw/zinc/84/84/95/457848495.db2.gz MFYKKSZAYYUZRS-MRXNPFEDSA-N 0 0 334.423 3.105 10 10 EGCERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(Cl)cc(C)c1O ZINC000375261793 457854312 /nfs/dbraw/zinc/85/43/12/457854312.db2.gz IGEJCTZBQKWXGH-MRXNPFEDSA-N 0 0 349.862 3.278 10 10 EGCERN Cc1ccc(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)c(O)c1O ZINC000375404693 457917305 /nfs/dbraw/zinc/91/73/05/457917305.db2.gz PYARIVKMMHERNN-HXUWFJFHSA-N 0 0 339.391 3.068 10 10 EGCERN Cc1cc(Cl)cc(CN2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000367832684 457983822 /nfs/dbraw/zinc/98/38/22/457983822.db2.gz OUEHYLVGMLGIFX-HNNXBMFYSA-N 0 0 345.892 3.143 10 10 EGCERN CCn1ccnc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000412873792 458287727 /nfs/dbraw/zinc/28/77/27/458287727.db2.gz NEUBGNOZEMUDRU-UHFFFAOYSA-N 0 0 340.427 3.373 10 10 EGCERN Cc1ccc(N2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000376543472 458333224 /nfs/dbraw/zinc/33/32/24/458333224.db2.gz XPFBCJAVSPHYPG-UHFFFAOYSA-N 0 0 340.423 3.067 10 10 EGCERN Cn1cc(-c2nn(C)cc2C(=O)N2CC(C)(C)Cc3ccccc32)cn1 ZINC000661115650 462111784 /nfs/dbraw/zinc/11/17/84/462111784.db2.gz HTMHKCYXBIUTRP-UHFFFAOYSA-N 0 0 349.438 3.050 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378388216 547819331 /nfs/dbraw/zinc/81/93/31/547819331.db2.gz MWZREBMVOQMDTO-MJGOQNOKSA-N 0 0 340.423 3.311 10 10 EGCERN COc1ccc(N2CCC(NC(=O)CSC(C)(C)C)CC2)cc1 ZINC000726563176 574562497 /nfs/dbraw/zinc/56/24/97/574562497.db2.gz YXTFXGJVZSBZPU-UHFFFAOYSA-N 0 0 336.501 3.312 10 10 EGCERN Cc1ccccc1NNC(=S)Nc1ccc2c(c1)OCCCO2 ZINC000727269367 574657228 /nfs/dbraw/zinc/65/72/28/574657228.db2.gz QICPQJHPHACIGU-UHFFFAOYSA-N 0 0 329.425 3.470 10 10 EGCERN Cc1cc(C(=O)OC[C@H]2COCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000729102174 574814154 /nfs/dbraw/zinc/81/41/54/574814154.db2.gz UBLIUQRICVVPLS-MRXNPFEDSA-N 0 0 349.814 3.320 10 10 EGCERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)C1=CC(=O)CS1 ZINC000732281771 575254244 /nfs/dbraw/zinc/25/42/44/575254244.db2.gz CTAFWPLQHCDKFI-UHFFFAOYSA-N 0 0 332.356 3.220 10 10 EGCERN CCCN(CC(F)F)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000733188860 575318715 /nfs/dbraw/zinc/31/87/15/575318715.db2.gz OZKYKMJMUIYMHQ-FNORWQNLSA-N 0 0 328.315 3.263 10 10 EGCERN CC(C)c1cnc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000733609954 575374873 /nfs/dbraw/zinc/37/48/73/575374873.db2.gz DSOMQIVOMQZILF-UHFFFAOYSA-N 0 0 329.444 3.267 10 10 EGCERN O=C(CN1CCCc2cc(OCc3ccccc3)ccc21)NC1CC1 ZINC000734485724 575492722 /nfs/dbraw/zinc/49/27/22/575492722.db2.gz QQHBNVBZQDYDDN-UHFFFAOYSA-N 0 0 336.435 3.297 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000742237437 576760605 /nfs/dbraw/zinc/76/06/05/576760605.db2.gz ZPIIXDJUTRUAIE-APWZRJJASA-N 0 0 326.440 3.293 10 10 EGCERN COc1ccc(O)c(CNC(=O)c2cccc(-c3cscn3)c2)c1 ZINC000743412039 576808831 /nfs/dbraw/zinc/80/88/31/576808831.db2.gz BRMQKAWDRPZTTA-UHFFFAOYSA-N 0 0 340.404 3.454 10 10 EGCERN COc1ccc(O)c(CNC(=O)c2csc(Br)c2)c1 ZINC000114541590 1293168836 /nfs/dbraw/zinc/16/88/36/1293168836.db2.gz IVECEPDCIZCTTK-UHFFFAOYSA-N 0 0 342.214 3.155 10 10 EGCERN COc1cccc2c1N(Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000160471575 1294268635 /nfs/dbraw/zinc/26/86/35/1294268635.db2.gz XJWHVCCIRHPYHP-UHFFFAOYSA-N 0 0 329.396 3.371 10 10 EGCERN O=C(Cc1cccc(O)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000173672478 1294469187 /nfs/dbraw/zinc/46/91/87/1294469187.db2.gz AWYYBYODVOSHDW-UHFFFAOYSA-N 0 0 337.375 3.462 10 10 EGCERN COc1ccc(O)c(CNC(=O)c2cc(C3CCCCC3)n[nH]2)c1 ZINC000179359892 1294788076 /nfs/dbraw/zinc/78/80/76/1294788076.db2.gz UQNPCSFYJYYERS-UHFFFAOYSA-N 0 0 329.400 3.102 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[C@H](OC)C3)c2C)cc1 ZINC000189167472 1295505732 /nfs/dbraw/zinc/50/57/32/1295505732.db2.gz IAZCWYMSCZDRIL-YJBOKZPZSA-N 0 0 342.439 3.400 10 10 EGCERN Cc1noc2nc(C3CC3)cc(C(=O)N3Cc4cccc(O)c4C3)c12 ZINC000871199332 1296269038 /nfs/dbraw/zinc/26/90/38/1296269038.db2.gz WRFSABQTUFSUKE-UHFFFAOYSA-N 0 0 335.363 3.270 10 10 EGCERN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203100 1296270827 /nfs/dbraw/zinc/27/08/27/1296270827.db2.gz SIPKQKWWGKEURX-LJQANCHMSA-N 0 0 348.443 3.318 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245459766 1296308532 /nfs/dbraw/zinc/30/85/32/1296308532.db2.gz LQAFKHJZCXURQR-PIIMJCKOSA-N 0 0 330.497 3.292 10 10 EGCERN C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000872114920 1296742279 /nfs/dbraw/zinc/74/22/79/1296742279.db2.gz YTFUMSYDVYOEGG-QWRGUYRKSA-N 0 0 331.334 3.405 10 10 EGCERN COc1cccc(CNc2cccc([C@H]3CCCC(=O)N3)c2)c1O ZINC000886374864 1303452011 /nfs/dbraw/zinc/45/20/11/1303452011.db2.gz OZBGCEAZJLYXIF-MRXNPFEDSA-N 0 0 326.396 3.354 10 10 EGCERN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761389 1304872656 /nfs/dbraw/zinc/87/26/56/1304872656.db2.gz QEIJYDAGPYFZHT-UONOGXRCSA-N 0 0 331.799 3.474 10 10 EGCERN CN(C)c1cc(F)c(CN2CCc3nc[nH]c3C23CCC3)cc1F ZINC000895068971 1309177451 /nfs/dbraw/zinc/17/74/51/1309177451.db2.gz NTHGHQXTRJNBEI-UHFFFAOYSA-N 0 0 332.398 3.191 10 10 EGCERN COc1ccc(N2CCC(NC(=O)c3ccn4ccccc34)CC2)cc1 ZINC000896089136 1309694807 /nfs/dbraw/zinc/69/48/07/1309694807.db2.gz ZNTIHGDKAKIRAG-UHFFFAOYSA-N 0 0 349.434 3.347 10 10 EGCERN O=C(NCCc1ccc(O)c(O)c1)[C@H](c1ccncc1)C1CCCC1 ZINC000897068122 1310163570 /nfs/dbraw/zinc/16/35/70/1310163570.db2.gz MBJFOZRIPXJTJP-IBGZPJMESA-N 0 0 340.423 3.126 10 10 EGCERN CC(C)[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897303288 1310281048 /nfs/dbraw/zinc/28/10/48/1310281048.db2.gz JGBGULHDLAFMRZ-BXUZGUMPSA-N 0 0 335.425 3.246 10 10 EGCERN CO[C@@]1(C)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897623385 1310414231 /nfs/dbraw/zinc/41/42/31/1310414231.db2.gz OQCOPVOWDRWMST-KRWDZBQOSA-N 0 0 335.425 3.344 10 10 EGCERN CCc1noc(C)c1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897847560 1310489201 /nfs/dbraw/zinc/48/92/01/1310489201.db2.gz AHIWAXOXBOLMKL-UHFFFAOYSA-N 0 0 332.381 3.101 10 10 EGCERN COC[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897939539 1310523554 /nfs/dbraw/zinc/52/35/54/1310523554.db2.gz MKQAFAMKMIRFIA-LLVKDONJSA-N 0 0 335.425 3.201 10 10 EGCERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCOC1 ZINC000899222805 1310986195 /nfs/dbraw/zinc/98/61/95/1310986195.db2.gz NTNNUORQDYVURJ-PWSUYJOCSA-N 0 0 335.425 3.248 10 10 EGCERN COC(=O)c1cnc(SC[C@H]2CC[C@H](C(F)(F)F)O2)s1 ZINC000917779058 1319871462 /nfs/dbraw/zinc/87/14/62/1319871462.db2.gz WZUJPIRJDLKXJH-HTRCEHHLSA-N 0 0 327.349 3.132 10 10 EGCERN COc1ccc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)cc1F ZINC000858095672 1328681084 /nfs/dbraw/zinc/68/10/84/1328681084.db2.gz PTBWRVITQYTTTR-GFCCVEGCSA-N 0 0 332.375 3.409 10 10 EGCERN COCCOc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1F ZINC000929931713 1328741236 /nfs/dbraw/zinc/74/12/36/1328741236.db2.gz DNWOKYHZLIIHGU-UHFFFAOYSA-N 0 0 346.358 3.104 10 10 EGCERN CN(C)c1ccc(CNC(=O)N[C@@]2(C)CCOc3ccccc32)cc1 ZINC000913926685 1319179759 /nfs/dbraw/zinc/17/97/59/1319179759.db2.gz JXXSIDGCZWVGOV-FQEVSTJZSA-N 0 0 339.439 3.250 10 10 EGCERN C[C@H](CCc1ccc(O)cc1)NC(=O)NCc1c(O)cccc1F ZINC000913977857 1319202600 /nfs/dbraw/zinc/20/26/00/1319202600.db2.gz GGZGPOUWWGGYMS-GFCCVEGCSA-N 0 0 332.375 3.057 10 10 EGCERN CCOc1ccc(OC)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000930226324 1328816236 /nfs/dbraw/zinc/81/62/36/1328816236.db2.gz SQERFMTUBZTNKJ-UHFFFAOYSA-N 0 0 328.368 3.347 10 10 EGCERN O=C(NCc1ccccc1O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000915525796 1319495460 /nfs/dbraw/zinc/49/54/60/1319495460.db2.gz RXGQLQVOXKTWEO-GDBMZVCRSA-N 0 0 332.350 3.240 10 10 EGCERN CCN1C(=O)/C(=C/c2c(Cl)nc3sccn23)SC1=S ZINC000916134446 1319607215 /nfs/dbraw/zinc/60/72/15/1319607215.db2.gz JBASZPGXYKNPED-ALCCZGGFSA-N 0 0 329.859 3.270 10 10 EGCERN COc1cncc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000859060242 1328915955 /nfs/dbraw/zinc/91/59/55/1328915955.db2.gz PLXLZYJHVFNYOY-UHFFFAOYSA-N 0 0 326.444 3.108 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)C[C@H]2CCCO2)c1 ZINC000859099541 1328923482 /nfs/dbraw/zinc/92/34/82/1328923482.db2.gz QSAIHRGAYJUIBM-LJQANCHMSA-N 0 0 340.423 3.158 10 10 EGCERN COc1ccc2c(c1)CC[C@H]2C(=O)NCCCSc1nccs1 ZINC000859350672 1328973546 /nfs/dbraw/zinc/97/35/46/1328973546.db2.gz FBNYQIOWPNTFLQ-OAHLLOKOSA-N 0 0 348.493 3.480 10 10 EGCERN COc1cc2c(cc1OC)C(C)(C)N(C(=O)C1=CC(=O)CS1)CC2 ZINC000921679399 1322377289 /nfs/dbraw/zinc/37/72/89/1322377289.db2.gz CLAJSUAUAPTFRK-UHFFFAOYSA-N 0 0 347.436 3.405 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000921993607 1322436140 /nfs/dbraw/zinc/43/61/40/1322436140.db2.gz DWGSEBUUFJQTGS-RDTXWAMCSA-N 0 0 344.386 3.251 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000922322754 1322501230 /nfs/dbraw/zinc/50/12/30/1322501230.db2.gz MTGKNTVOMCGNLP-HAQNSBGRSA-N 0 0 332.350 3.416 10 10 EGCERN COc1ccc(N2CC[C@H](CNC(=O)NC[C@]34C[C@H]3CCC4)C2)cc1 ZINC000922950289 1322657464 /nfs/dbraw/zinc/65/74/64/1322657464.db2.gz HEAYKVNARGBPCA-QINHECLXSA-N 0 0 343.471 3.011 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCC(F)(F)CC1 ZINC000860697205 1329345598 /nfs/dbraw/zinc/34/55/98/1329345598.db2.gz PUOHUMPSMUOUSX-LLVKDONJSA-N 0 0 327.371 3.361 10 10 EGCERN Cc1nc2c(cccc2CCNC(=O)N[C@@H](C)c2ccccc2O)o1 ZINC000926937469 1327785202 /nfs/dbraw/zinc/78/52/02/1327785202.db2.gz TWBRQQUWDYMYFN-LBPRGKRZSA-N 0 0 339.395 3.445 10 10 EGCERN CCO[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])CN(C)C ZINC000926964225 1327800849 /nfs/dbraw/zinc/80/08/49/1327800849.db2.gz WSBVFWPXQHKYHK-NEPJUHHUSA-N 0 0 334.382 3.028 10 10 EGCERN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(Cl)c1[O-] ZINC000927037370 1327826998 /nfs/dbraw/zinc/82/69/98/1327826998.db2.gz DHNFBWSXVASGJQ-YEWTVFCHSA-N 0 0 343.876 3.195 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000927453394 1328031381 /nfs/dbraw/zinc/03/13/81/1328031381.db2.gz KROKPQHDPKXSID-BLLLJJGKSA-N 0 0 338.835 3.050 10 10 EGCERN C[C@@H](CC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000861332766 1329409547 /nfs/dbraw/zinc/40/95/47/1329409547.db2.gz VUNNCWRWVUYVRQ-ZETCQYMHSA-N 0 0 340.139 3.359 10 10 EGCERN Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1CC(F)(F)F ZINC000928709292 1328404977 /nfs/dbraw/zinc/40/49/77/1328404977.db2.gz HZNIGISRRIJSTR-UHFFFAOYSA-N 0 0 344.308 3.442 10 10 EGCERN CCC(CC)n1ccc(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC000862027468 1329456012 /nfs/dbraw/zinc/45/60/12/1329456012.db2.gz TWTRSCBBAZKQDK-UHFFFAOYSA-N 0 0 338.411 3.428 10 10 EGCERN COc1c([O-])c(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC000862541079 1329494074 /nfs/dbraw/zinc/49/40/74/1329494074.db2.gz OZRCQDHWTCPIIH-CYBMUJFWSA-N 0 0 344.367 3.004 10 10 EGCERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1cc(C)ccc1O ZINC000862756003 1329506904 /nfs/dbraw/zinc/50/69/04/1329506904.db2.gz PECPDJGHZHKPLM-CYBMUJFWSA-N 0 0 346.452 3.290 10 10 EGCERN Oc1cccc(Br)c1CNc1cccc(-n2nccn2)c1 ZINC000864043335 1329594812 /nfs/dbraw/zinc/59/48/12/1329594812.db2.gz JBAVBTWCWZFYAM-UHFFFAOYSA-N 0 0 345.200 3.348 10 10 EGCERN Cc1cnc(F)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000864785692 1329642603 /nfs/dbraw/zinc/64/26/03/1329642603.db2.gz GGQBAHGYHVOHMH-UHFFFAOYSA-N 0 0 327.403 3.400 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)CC2)cc1 ZINC000864949197 1329654752 /nfs/dbraw/zinc/65/47/52/1329654752.db2.gz GZMAWFBKHRXEMQ-WQANXHIZSA-N 0 0 328.456 3.026 10 10 EGCERN COc1ccc(N2CCC(NC(=O)[C@@]34C[C@@H]3CCCC4)CC2)cc1 ZINC000865115142 1329670298 /nfs/dbraw/zinc/67/02/98/1329670298.db2.gz DRSZDECWZHAPCZ-YWZLYKJASA-N 0 0 328.456 3.361 10 10 EGCERN Oc1cccc(Cl)c1CNc1nc(C2CCOCC2)ns1 ZINC000865295092 1329684263 /nfs/dbraw/zinc/68/42/63/1329684263.db2.gz ZOFZOGATLFJQII-UHFFFAOYSA-N 0 0 325.821 3.403 10 10 EGCERN C[C@@H](O)c1ccc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000865451616 1329699219 /nfs/dbraw/zinc/69/92/19/1329699219.db2.gz ULSKVHOJSVHJPP-CQSZACIVSA-N 0 0 329.469 3.300 10 10 EGCERN COC(=O)c1cnc(N(C)Cc2ccccc2O)c(C(F)(F)F)c1 ZINC000865647461 1329724908 /nfs/dbraw/zinc/72/49/08/1329724908.db2.gz XHQNLHCKILMJTG-UHFFFAOYSA-N 0 0 340.301 3.229 10 10 EGCERN CCOC(=O)CCc1cc(NCc2cc(Cl)ccc2O)nc(C)n1 ZINC000865908951 1329751066 /nfs/dbraw/zinc/75/10/66/1329751066.db2.gz VMAGXKISFYAQPL-UHFFFAOYSA-N 0 0 349.818 3.252 10 10 EGCERN COc1ccc(N2CC[C@@H](Nc3nc(C(C)(C)OC)ns3)C2)cc1 ZINC000865931817 1329752666 /nfs/dbraw/zinc/75/26/66/1329752666.db2.gz JRTKJSUKMCXYDG-GFCCVEGCSA-N 0 0 348.472 3.119 10 10 EGCERN Oc1cccc2c1CN(c1nc3ccccc3nc1N1CCCC1)C2 ZINC000866118341 1330067253 /nfs/dbraw/zinc/06/72/53/1330067253.db2.gz ZXVYEENHPKLGNG-UHFFFAOYSA-N 0 0 332.407 3.456 10 10 EGCERN CCOC(=O)c1cc(CN[C@H](C)c2ccc(N(C)CC)cc2)on1 ZINC000866514687 1330120699 /nfs/dbraw/zinc/12/06/99/1330120699.db2.gz PPSVGGXYLXKYKR-CYBMUJFWSA-N 0 0 331.416 3.158 10 10 EGCERN COc1ccc(CNC(=O)[C@@H](C)CC(=O)c2ccc(F)cc2)c(O)c1 ZINC000867956029 1330233011 /nfs/dbraw/zinc/23/30/11/1330233011.db2.gz KKCFAOFRFWULDZ-LBPRGKRZSA-N 0 0 345.370 3.065 10 10 EGCERN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000868514860 1330288733 /nfs/dbraw/zinc/28/87/33/1330288733.db2.gz FJSFSKLNCQIHAK-LJHODMEESA-N 0 0 345.487 3.176 10 10 EGCERN O=C(NCC[C@H]1CCSC1)NCc1c(O)ccc2c1CCCC2 ZINC000868829194 1330355093 /nfs/dbraw/zinc/35/50/93/1330355093.db2.gz IKQXDGXASQOWLF-ZDUSSCGKSA-N 0 0 334.485 3.213 10 10 EGCERN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCC12CC2 ZINC000868846536 1330359790 /nfs/dbraw/zinc/35/97/90/1330359790.db2.gz MTFHJTXNLAZHLW-GFCCVEGCSA-N 0 0 339.233 3.287 10 10 EGCERN Cc1cc(C(=O)N2C[C@H](O)C3(CC3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001116675187 1370954739 /nfs/dbraw/zinc/95/47/39/1370954739.db2.gz VJTDLMDZAUJDMZ-KRWDZBQOSA-N 0 0 344.842 3.344 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCCO2)cc1F ZINC001123493795 1372488913 /nfs/dbraw/zinc/48/89/13/1372488913.db2.gz AASGPTSJSSJMEF-QZTJIDSGSA-N 0 0 349.450 3.135 10 10 EGCERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125534363 1372802620 /nfs/dbraw/zinc/80/26/20/1372802620.db2.gz HTPLWAUYWBEHIM-UHFFFAOYSA-N 0 0 349.337 3.177 10 10 EGCERN CCOc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC001129814419 1373425820 /nfs/dbraw/zinc/42/58/20/1373425820.db2.gz GGHOSTMCEXPGSZ-HNNXBMFYSA-N 0 0 341.455 3.216 10 10 EGCERN CS[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001233899707 1376734163 /nfs/dbraw/zinc/73/41/63/1376734163.db2.gz QFSPIUVJFIZERQ-MGCOHNPYSA-N 0 0 335.256 3.392 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cccnc2)cc1 ZINC001135402343 1377076374 /nfs/dbraw/zinc/07/63/74/1377076374.db2.gz JPRUPIDRRRQDDP-UHFFFAOYSA-N 0 0 347.418 3.161 10 10 EGCERN O=C(Nc1nc2ccccc2[nH]1)c1cc2cc(O)c(O)cc2s1 ZINC001135702588 1377189753 /nfs/dbraw/zinc/18/97/53/1377189753.db2.gz GIMWYYRKZAFORX-UHFFFAOYSA-N 0 0 325.349 3.441 10 10 EGCERN CCC/C=C/[C@H](O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001135746552 1377200286 /nfs/dbraw/zinc/20/02/86/1377200286.db2.gz URQJPZODOSBCJA-AIADIJKESA-N 0 0 330.472 3.353 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)NCC1(c2ccc(F)cc2)CCC1 ZINC001136533359 1377402708 /nfs/dbraw/zinc/40/27/08/1377402708.db2.gz XMHXCQVLZVFVRK-UHFFFAOYSA-N 0 0 329.371 3.018 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1cccc(CC)c1 ZINC001140198356 1378030527 /nfs/dbraw/zinc/03/05/27/1378030527.db2.gz AOPNXXYQPKUIDY-UHFFFAOYSA-N 0 0 334.412 3.136 10 10 EGCERN Cc1cccc(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001140290172 1378041522 /nfs/dbraw/zinc/04/15/22/1378041522.db2.gz KIFYYWQOLWCUPO-UHFFFAOYSA-N 0 0 342.420 3.379 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2c(Cl)cc(F)cc2C1 ZINC001141588563 1378347228 /nfs/dbraw/zinc/34/72/28/1378347228.db2.gz XGNUCOWOIDEGPB-RQOWECAXSA-N 0 0 347.773 3.488 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2ccc(F)c(C=O)c2)cc1 ZINC001141869225 1378388204 /nfs/dbraw/zinc/38/82/04/1378388204.db2.gz YNZDHKFPIMENBZ-UHFFFAOYSA-N 0 0 328.387 3.414 10 10 EGCERN O=C(/C=C/c1ccnc(Cl)c1)NCc1ccc2cccnc2c1O ZINC001142728139 1378482835 /nfs/dbraw/zinc/48/28/35/1378482835.db2.gz MPCFYYHFEAEPER-ZZXKWVIFSA-N 0 0 339.782 3.318 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)Nc2n[nH]c3ccc(F)cc32)cc1 ZINC001143905318 1378659046 /nfs/dbraw/zinc/65/90/46/1378659046.db2.gz QKXZPXDXWRTTHO-UHFFFAOYSA-N 0 0 326.291 3.117 10 10 EGCERN Cc1cnn(C)c1NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001147060883 1378965152 /nfs/dbraw/zinc/96/51/52/1378965152.db2.gz ZZFYNSLXRAUKOP-UHFFFAOYSA-N 0 0 336.395 3.201 10 10 EGCERN Cc1ccc(C(=O)N[C@H](CCc2ccccc2)C(F)F)c(O)c1O ZINC001147485472 1379031525 /nfs/dbraw/zinc/03/15/25/1379031525.db2.gz LJXIOJBTCHNBMU-CQSZACIVSA-N 0 0 335.350 3.403 10 10 EGCERN CC[C@@H](COC)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001147751575 1379072314 /nfs/dbraw/zinc/07/23/14/1379072314.db2.gz CBXVNNGUCOBCFD-INIZCTEOSA-N 0 0 328.412 3.061 10 10 EGCERN CC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2O)cc1Cl ZINC001149871915 1379458033 /nfs/dbraw/zinc/45/80/33/1379458033.db2.gz LSMPRRZCCBQPRI-UHFFFAOYSA-N 0 0 332.787 3.276 10 10 EGCERN COCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1OC ZINC001150170638 1379508962 /nfs/dbraw/zinc/50/89/62/1379508962.db2.gz MJCJKDVMARUQRK-UHFFFAOYSA-N 0 0 342.355 3.256 10 10 EGCERN COc1cccc(OC(F)(F)F)c1C(=O)NCc1ccccc1O ZINC001150536955 1379563868 /nfs/dbraw/zinc/56/38/68/1379563868.db2.gz VSRIPSOXQIKGQO-UHFFFAOYSA-N 0 0 341.285 3.229 10 10 EGCERN O=C(NCc1ccccc1O)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001150537226 1379564316 /nfs/dbraw/zinc/56/43/16/1379564316.db2.gz YQYIEOHTEHEFCL-GOSISDBHSA-N 0 0 342.414 3.202 10 10 EGCERN C[C@H](NC(=O)c1ccc(C2N=NC(=S)O2)cc1)c1ccccc1O ZINC001151892621 1379811679 /nfs/dbraw/zinc/81/16/79/1379811679.db2.gz UGXGRZHHSHRZPB-JTQLQIEISA-N 0 0 341.392 3.222 10 10 EGCERN COc1ccc(Br)c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001152566271 1379950112 /nfs/dbraw/zinc/95/01/12/1379950112.db2.gz VWXKIVYTNICSTH-UHFFFAOYSA-N 0 0 348.196 3.319 10 10 EGCERN O=C(NCc1cc(Br)ccc1O)[C@H]1CCC[C@H](F)C1 ZINC001327997004 1388641353 /nfs/dbraw/zinc/64/13/53/1388641353.db2.gz NVAKVJAHWWRLCY-CABZTGNLSA-N 0 0 330.197 3.299 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2CCCC2=O)c1 ZINC001154559401 1380305580 /nfs/dbraw/zinc/30/55/80/1380305580.db2.gz FODRZKZFEYDPGF-INIZCTEOSA-N 0 0 338.407 3.006 10 10 EGCERN CC[C@]1(CO)CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001154625432 1380319602 /nfs/dbraw/zinc/31/96/02/1380319602.db2.gz ABDOHUROXKLTLS-OAQYLSRUSA-N 0 0 340.467 3.400 10 10 EGCERN Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2O)c(C)n1-c1cccc(C)c1 ZINC001155646013 1380478399 /nfs/dbraw/zinc/47/83/99/1380478399.db2.gz ORGKLTRENWBREI-RTBURBONSA-N 0 0 326.440 3.388 10 10 EGCERN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1c(O)cccc1O ZINC001156880960 1380716330 /nfs/dbraw/zinc/71/63/30/1380716330.db2.gz JDENPVDWHVXTPJ-OAHLLOKOSA-N 0 0 335.787 3.225 10 10 EGCERN O=C(CCC(=O)c1ccc(Cl)cc1)NCc1c(O)cccc1O ZINC001156881229 1380716782 /nfs/dbraw/zinc/71/67/82/1380716782.db2.gz VFONXJZUGSYMNT-UHFFFAOYSA-N 0 0 333.771 3.031 10 10 EGCERN CC1(C)C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)O1 ZINC001156912540 1380724307 /nfs/dbraw/zinc/72/43/07/1380724307.db2.gz YONIRZCUECFTHB-GFCCVEGCSA-N 0 0 332.404 3.173 10 10 EGCERN COc1ccnc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001287661259 1381320119 /nfs/dbraw/zinc/32/01/19/1381320119.db2.gz REMFKQCMGRCFDV-UHFFFAOYSA-N 0 0 335.407 3.428 10 10 EGCERN O=C(Cc1ccc2cnccc2c1)NCc1cccc(Cl)c1O ZINC001159041421 1381536026 /nfs/dbraw/zinc/53/60/26/1381536026.db2.gz MBMNOAQMLNBYSP-UHFFFAOYSA-N 0 0 326.783 3.453 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)[C@H]1CCOc2c(F)cccc21 ZINC001159041626 1381536696 /nfs/dbraw/zinc/53/66/96/1381536696.db2.gz VDFXOZPTWIKIJB-LBPRGKRZSA-N 0 0 335.762 3.367 10 10 EGCERN CC[C@H](C)[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)OC ZINC001292190810 1382174207 /nfs/dbraw/zinc/17/42/07/1382174207.db2.gz YOHWBDAWRXJLSV-UGSOOPFHSA-N 0 0 342.439 3.412 10 10 EGCERN CNc1ncccc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001293145940 1382262574 /nfs/dbraw/zinc/26/25/74/1382262574.db2.gz RNOJORFIBACECX-UHFFFAOYSA-N 0 0 338.455 3.290 10 10 EGCERN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001293969753 1382401537 /nfs/dbraw/zinc/40/15/37/1382401537.db2.gz HEDOIHYMHLCBGR-INIZCTEOSA-N 0 0 331.387 3.163 10 10 EGCERN CCN(CC1CCC1)c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001295697859 1382781427 /nfs/dbraw/zinc/78/14/27/1382781427.db2.gz BKDGICZFCRNXJE-UHFFFAOYSA-N 0 0 345.466 3.466 10 10 EGCERN Cc1cc(NCc2cc(F)c(N(C)C)cc2F)ccc1OCCO ZINC001328687938 1388808582 /nfs/dbraw/zinc/80/85/82/1388808582.db2.gz DHYUYUQDJCNEIF-UHFFFAOYSA-N 0 0 336.382 3.322 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H](O)C1CCC1 ZINC001163507840 1383069284 /nfs/dbraw/zinc/06/92/84/1383069284.db2.gz SXEUXHYGBQKCCB-SFHVURJKSA-N 0 0 340.379 3.399 10 10 EGCERN CC(C)(C)CC[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001296990212 1383102203 /nfs/dbraw/zinc/10/22/03/1383102203.db2.gz COJYJDPTNBCUHF-NSHDSACASA-N 0 0 337.441 3.230 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1csc(-c2ccccn2)n1 ZINC001165497215 1383303242 /nfs/dbraw/zinc/30/32/42/1383303242.db2.gz BTIDVEUIKINKFM-UHFFFAOYSA-N 0 0 345.811 3.494 10 10 EGCERN O=C(Nc1ccc(SC(F)(F)F)nc1)c1cccc(O)c1O ZINC001299194776 1383482495 /nfs/dbraw/zinc/48/24/95/1383482495.db2.gz GGBZQKQVUITHQN-UHFFFAOYSA-N 0 0 330.287 3.357 10 10 EGCERN Cc1nc(-c2ccsc2)ccc1C(=O)NCc1ccc(O)cc1O ZINC001299572146 1383573253 /nfs/dbraw/zinc/57/32/53/1383573253.db2.gz CAVZINIZCDMRFN-UHFFFAOYSA-N 0 0 340.404 3.460 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ncoc1CCC(F)(F)F ZINC001300396603 1383662258 /nfs/dbraw/zinc/66/22/58/1383662258.db2.gz ZOHHFNVUWWUXBM-UHFFFAOYSA-N 0 0 348.708 3.459 10 10 EGCERN Cc1ccc2[nH]c(C(=O)NCc3cc(O)ccc3O)c(Cl)c2c1 ZINC001303223337 1383788062 /nfs/dbraw/zinc/78/80/62/1383788062.db2.gz KPYCCHQQKWJMAS-UHFFFAOYSA-N 0 0 330.771 3.471 10 10 EGCERN C[C@H]1C[C@@H]1n1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1O ZINC001304957025 1383858716 /nfs/dbraw/zinc/85/87/16/1383858716.db2.gz SCXCGGZTGOBLEU-YOEHRIQHSA-N 0 0 349.438 3.187 10 10 EGCERN C[C@@H]1C[C@H]1n1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1O ZINC001304957023 1383858730 /nfs/dbraw/zinc/85/87/30/1383858730.db2.gz SCXCGGZTGOBLEU-RHSMWYFYSA-N 0 0 349.438 3.187 10 10 EGCERN CCc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)nc1CC ZINC001306921982 1383921027 /nfs/dbraw/zinc/92/10/27/1383921027.db2.gz CHXIGOXTSHBGHJ-UHFFFAOYSA-N 0 0 325.460 3.233 10 10 EGCERN COc1cc(N(C)C[C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])cc1OC ZINC001307234275 1383962708 /nfs/dbraw/zinc/96/27/08/1383962708.db2.gz MFGGBMWGAGYPMV-IAGOWNOFSA-N 0 0 336.388 3.007 10 10 EGCERN C[C@H]1C[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001312377439 1384344191 /nfs/dbraw/zinc/34/41/91/1384344191.db2.gz JOYWFBILZWKALK-WMZOPIPTSA-N 0 0 345.487 3.243 10 10 EGCERN O=C(NCCc1c[nH]c2ccc(F)cc12)NCc1c(O)cccc1F ZINC001312589291 1384358649 /nfs/dbraw/zinc/35/86/49/1384358649.db2.gz OSIVRNIRGHIMTI-UHFFFAOYSA-N 0 0 345.349 3.194 10 10 EGCERN CCC[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001312994740 1384385179 /nfs/dbraw/zinc/38/51/79/1384385179.db2.gz MCZOBZCICLQVLU-DOTOQJQBSA-N 0 0 331.460 3.248 10 10 EGCERN CC[C@H](C)[C@@H](O)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001313132755 1384398734 /nfs/dbraw/zinc/39/87/34/1384398734.db2.gz PTMXULDYKNKRHA-LIRRHRJNSA-N 0 0 343.471 3.300 10 10 EGCERN COC[C@@H](C)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001315777278 1384452968 /nfs/dbraw/zinc/45/29/68/1384452968.db2.gz GNKLJQKVPLULQG-AWEZNQCLSA-N 0 0 344.459 3.170 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC001178910632 1386346325 /nfs/dbraw/zinc/34/63/25/1386346325.db2.gz GKQLUPNEXRYQFL-UHFFFAOYSA-N 0 0 349.799 3.133 10 10 EGCERN C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC001330663655 1389489035 /nfs/dbraw/zinc/48/90/35/1389489035.db2.gz AWPVVYPHOHXMKG-OAHLLOKOSA-N 0 0 338.455 3.067 10 10 EGCERN Cc1cc(CC(=O)N2CCCC[C@H]2CO)c(C)n1-c1ccccc1 ZINC001330725317 1389510261 /nfs/dbraw/zinc/51/02/61/1389510261.db2.gz RLPAZHHPJOKUAE-IBGZPJMESA-N 0 0 326.440 3.010 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCCC34CC4)CC2)cc1 ZINC001331503005 1389773017 /nfs/dbraw/zinc/77/30/17/1389773017.db2.gz GSKWXPPIIISDDV-SFHVURJKSA-N 0 0 328.456 3.314 10 10 EGCERN C[C@@H](COc1ccccc1F)NC(=O)N[C@@H](C)c1ccccc1O ZINC001332119305 1389996912 /nfs/dbraw/zinc/99/69/12/1389996912.db2.gz YNIYFVBDZWCWIS-STQMWFEESA-N 0 0 332.375 3.359 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001349118247 1391303774 /nfs/dbraw/zinc/30/37/74/1391303774.db2.gz OCGXINBOHQMSHQ-SFHVURJKSA-N 0 0 330.472 3.450 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)[C@H](CCCO)c1ccccc1 ZINC001349587832 1391343373 /nfs/dbraw/zinc/34/33/73/1391343373.db2.gz NAECUHILGBOUMU-OAHLLOKOSA-N 0 0 333.815 3.218 10 10 EGCERN COCC[C@@H]1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC001349869240 1391378148 /nfs/dbraw/zinc/37/81/48/1391378148.db2.gz IMFUNDIBUFUHSB-WLMCBFPDSA-N 0 0 338.407 3.357 10 10 EGCERN O=C(C[C@@H]1CC=CCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001351388088 1391635482 /nfs/dbraw/zinc/63/54/82/1391635482.db2.gz LEUMQAFUCOEIIX-OAHLLOKOSA-N 0 0 332.419 3.025 10 10 EGCERN C[C@H](CSCc1ccccc1)C(=O)NCc1cccc(O)c1O ZINC001352657525 1391829403 /nfs/dbraw/zinc/82/94/03/1391829403.db2.gz FTXIDOHNLHSDMS-CYBMUJFWSA-N 0 0 331.437 3.284 10 10 EGCERN C#C[C@@H](C)N(C)c1nnc(C(C)C)n1CCCSc1nccs1 ZINC001705474950 1417123333 /nfs/dbraw/zinc/12/33/33/1417123333.db2.gz MYHROTIBAJQMGG-CYBMUJFWSA-N 0 0 349.529 3.498 10 10 EGCERN CCc1nnc(N2CCC(F)(F)C2)n1Cc1ccc(N(C)C)cc1C ZINC001709088679 1417422910 /nfs/dbraw/zinc/42/29/10/1417422910.db2.gz HOGSWVJNDOSYPC-UHFFFAOYSA-N 0 0 349.429 3.109 10 10 EGCERN CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)cc1C ZINC001709916925 1417455545 /nfs/dbraw/zinc/45/55/45/1417455545.db2.gz FLLIHOOSVAPUPG-UHFFFAOYSA-N 0 0 338.459 3.152 10 10 EGCERN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N(C)CC1CC1 ZINC001724234156 1424746961 /nfs/dbraw/zinc/74/69/61/1424746961.db2.gz ATJHOIUVDGGHMF-UHFFFAOYSA-N 0 0 339.487 3.424 10 10 EGCERN Cc1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001726368691 1427052194 /nfs/dbraw/zinc/05/21/94/1427052194.db2.gz XMUOQZVURHVXDA-GJZGRUSLSA-N 0 0 339.487 3.109 10 10 EGCERN CN(C)c1ccc(Cn2c(C3CCC3)nnc2N(C)C2CC2)cc1F ZINC001729329161 1427163624 /nfs/dbraw/zinc/16/36/24/1427163624.db2.gz CMCJAZVCNRJISB-UHFFFAOYSA-N 0 0 343.450 3.398 10 10 EGCERN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1Cc1ccco1 ZINC001750709766 1440109259 /nfs/dbraw/zinc/10/92/59/1440109259.db2.gz JFIGZWXPUVMZCZ-UHFFFAOYSA-N 0 0 340.427 3.460 10 10 EGCERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1[C@@H]1C[C@H]1CF ZINC001751879961 1440124940 /nfs/dbraw/zinc/12/49/40/1440124940.db2.gz JDQHCNDUXAEREP-FUHWJXTLSA-N 0 0 343.450 3.354 10 10 EGCERN CCCCN(C)c1nnc(C)n1CCCSc1nccs1 ZINC001765708401 1441398007 /nfs/dbraw/zinc/39/80/07/1441398007.db2.gz AKLRANIXJOWHKB-UHFFFAOYSA-N 0 0 325.507 3.462 10 10 EGCERN CCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC001765805613 1441398867 /nfs/dbraw/zinc/39/88/67/1441398867.db2.gz RHYXLZPASYGCAD-MRXNPFEDSA-N 0 0 330.432 3.272 10 10 EGCERN O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1CCO ZINC000005042509 210372927 /nfs/dbraw/zinc/37/29/27/210372927.db2.gz YLCDTSCPMFSMLN-MDZDMXLPSA-N 0 0 331.375 3.041 10 10 EGCERN CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293663986 455793371 /nfs/dbraw/zinc/79/33/71/455793371.db2.gz PTXDRFJLMAFABZ-UHFFFAOYSA-N 0 0 325.815 3.333 10 10 EGCERN CC1(C)CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]2(CCOC2)O1 ZINC000280154261 455904643 /nfs/dbraw/zinc/90/46/43/455904643.db2.gz DVDBPRDUPHTMKN-MRXNPFEDSA-N 0 0 346.254 3.469 10 10 EGCERN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](c2ccccc2)O1 ZINC000180706398 455231371 /nfs/dbraw/zinc/23/13/71/455231371.db2.gz STHUUOCOYAICJC-RSPMLXFXSA-N 0 0 339.391 3.100 10 10 EGCERN CCc1noc(C)c1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000183266752 455265296 /nfs/dbraw/zinc/26/52/96/455265296.db2.gz ONYLHYCAIAIENE-UHFFFAOYSA-N 0 0 330.388 3.042 10 10 EGCERN Cc1csc([C@@H](C)NC(=O)NCCCSc2nccs2)n1 ZINC000089705317 454180497 /nfs/dbraw/zinc/18/04/97/454180497.db2.gz TYQZEINOJXWQOV-SNVBAGLBSA-N 0 0 342.515 3.451 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1COc2ccccc21 ZINC000058575487 454216882 /nfs/dbraw/zinc/21/68/82/454216882.db2.gz ALPSXQCPZCKCOQ-SFHVURJKSA-N 0 0 337.423 3.220 10 10 EGCERN CC[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1O ZINC000071898374 454248256 /nfs/dbraw/zinc/24/82/56/454248256.db2.gz DSYCMCSZZGGBSF-MRXNPFEDSA-N 0 0 349.390 3.146 10 10 EGCERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000046973025 454309893 /nfs/dbraw/zinc/30/98/93/454309893.db2.gz HSKPYSHSTXKAJC-QFBILLFUSA-N 0 0 345.487 3.386 10 10 EGCERN COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)c1 ZINC000170615330 454942952 /nfs/dbraw/zinc/94/29/52/454942952.db2.gz LFIDYIJIWNLVGC-SFHVURJKSA-N 0 0 340.379 3.107 10 10 EGCERN Cc1cc(C(=O)NCCCc2ccccn2)c(C)n1-c1ccccn1 ZINC000178614446 454964517 /nfs/dbraw/zinc/96/45/17/454964517.db2.gz GEFYEGCOIPUPEE-UHFFFAOYSA-N 0 0 334.423 3.247 10 10 EGCERN Cc1cccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1O ZINC000179985942 455110946 /nfs/dbraw/zinc/11/09/46/455110946.db2.gz DXTLJUFGSJJOGT-MRXNPFEDSA-N 0 0 326.444 3.356 10 10 EGCERN CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156482394 455123496 /nfs/dbraw/zinc/12/34/96/455123496.db2.gz FLQYCPPQOOLTCM-GWCFXTLKSA-N 0 0 333.259 3.070 10 10 EGCERN Cc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c(O)c1O ZINC000182453849 455517481 /nfs/dbraw/zinc/51/74/81/455517481.db2.gz MGVSLJWYDOXIRI-UHFFFAOYSA-N 0 0 345.370 3.229 10 10 EGCERN Cc1cc([C@H]2CN(Cc3cc4c(cc3O)OCO4)CCO2)ccc1F ZINC000161106506 455533986 /nfs/dbraw/zinc/53/39/86/455533986.db2.gz IFVVXTWMVGNVAE-LJQANCHMSA-N 0 0 345.370 3.142 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247282303 455582697 /nfs/dbraw/zinc/58/26/97/455582697.db2.gz HBXHOOWJZNHPFC-OTWHNJEPSA-N 0 0 343.471 3.044 10 10 EGCERN OCCSCc1ccnc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000293615059 455792690 /nfs/dbraw/zinc/79/26/90/455792690.db2.gz MCVAMIOEEWKJOU-UHFFFAOYSA-N 0 0 342.823 3.417 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000294321128 455811595 /nfs/dbraw/zinc/81/15/95/455811595.db2.gz QZKYIKJKQJBYRH-UHFFFAOYSA-N 0 0 335.810 3.470 10 10 EGCERN COc1c(O)c(CN2CCC[C@@H]2c2csc(C)n2)ccc1[N+](=O)[O-] ZINC000278435431 455836398 /nfs/dbraw/zinc/83/63/98/455836398.db2.gz USGKDTNDYJTKBL-CYBMUJFWSA-N 0 0 349.412 3.411 10 10 EGCERN COC(=O)/C=C/c1ccc(N2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301566330 456147560 /nfs/dbraw/zinc/14/75/60/456147560.db2.gz PYYBTAHEDBNKII-LADOHOGBSA-N 0 0 330.384 3.407 10 10 EGCERN COc1ccc(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302856765 456417407 /nfs/dbraw/zinc/41/74/07/456417407.db2.gz MDAIRKQNGBIGKB-UHFFFAOYSA-N 0 0 331.347 3.069 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)c1cnn2c1CCCC2 ZINC000282395288 456498977 /nfs/dbraw/zinc/49/89/77/456498977.db2.gz DTIPRFFFNAHRMH-UHFFFAOYSA-N 0 0 327.428 3.368 10 10 EGCERN CCOCc1nc([C@@H](C)NCc2ccc(N(CC)CC)cc2)no1 ZINC000291050645 456510689 /nfs/dbraw/zinc/51/06/89/456510689.db2.gz ZUUNTGWEYCXXFL-CQSZACIVSA-N 0 0 332.448 3.303 10 10 EGCERN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCCC2 ZINC000324254112 456665178 /nfs/dbraw/zinc/66/51/78/456665178.db2.gz IKYZOPIQNAFOMY-GJZGRUSLSA-N 0 0 327.476 3.482 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1nccs1 ZINC000292099361 456854882 /nfs/dbraw/zinc/85/48/82/456854882.db2.gz KYVHOVDWDNPTEQ-UHFFFAOYSA-N 0 0 346.500 3.373 10 10 EGCERN OC[C@H]1CC(F)(F)CN1Cc1ccc(OCc2ccccc2)cc1O ZINC000364843803 457703582 /nfs/dbraw/zinc/70/35/82/457703582.db2.gz METBRMBJVPVSOP-MRXNPFEDSA-N 0 0 349.377 3.173 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCOCC1 ZINC000365123924 457728215 /nfs/dbraw/zinc/72/82/15/457728215.db2.gz WAXNKPSFLKENLC-GOSISDBHSA-N 0 0 330.472 3.452 10 10 EGCERN CC(C)[C@H](NC(=O)N1CCOc2cc(N(C)C)ccc21)C(F)(F)F ZINC000417427644 458363615 /nfs/dbraw/zinc/36/36/15/458363615.db2.gz QTNMNVHAUSTUIF-AWEZNQCLSA-N 0 0 345.365 3.248 10 10 EGCERN CCOC1(C)CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000452286593 458499106 /nfs/dbraw/zinc/49/91/06/458499106.db2.gz SLIRVVJDCJQIED-UHFFFAOYSA-N 0 0 344.455 3.156 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(n1)CCCC2 ZINC000442314088 459004192 /nfs/dbraw/zinc/00/41/92/459004192.db2.gz LTMHAKWKGGHUIP-UHFFFAOYSA-N 0 0 337.423 3.066 10 10 EGCERN COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000527967281 459784191 /nfs/dbraw/zinc/78/41/91/459784191.db2.gz JBDXPMAZZUUXMX-RHSMWYFYSA-N 0 0 344.430 3.465 10 10 EGCERN C[C@]1(Br)C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000528859520 459815718 /nfs/dbraw/zinc/81/57/18/459815718.db2.gz DKXKBGSOLABACJ-CJNGLKHVSA-N 0 0 338.245 3.061 10 10 EGCERN Cc1ccc(COCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000622817264 460323015 /nfs/dbraw/zinc/32/30/15/460323015.db2.gz BPVHVXBUDAUFHK-UHFFFAOYSA-N 0 0 340.423 3.003 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000378388214 547818593 /nfs/dbraw/zinc/81/85/93/547818593.db2.gz MWZREBMVOQMDTO-HKUYNNGSSA-N 0 0 340.423 3.311 10 10 EGCERN C[C@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)n1cccc1 ZINC000729527212 574868125 /nfs/dbraw/zinc/86/81/25/574868125.db2.gz NDFBCLUPSGABJD-IAGOWNOFSA-N 0 0 341.455 3.153 10 10 EGCERN C[C@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(C)(C)O ZINC000738992015 576372724 /nfs/dbraw/zinc/37/27/24/576372724.db2.gz YBJHTNZMBAQVCD-HNNXBMFYSA-N 0 0 347.503 3.414 10 10 EGCERN CC(C)[C@H](C)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000740037781 576537071 /nfs/dbraw/zinc/53/70/71/576537071.db2.gz GLQAUEFKNRETFI-HZPDHXFCSA-N 0 0 333.476 3.176 10 10 EGCERN CC[C@H](CCO)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000741075702 576653130 /nfs/dbraw/zinc/65/31/30/576653130.db2.gz FOXLLJJEPDZOOF-GOSISDBHSA-N 0 0 343.471 3.097 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@](C)(O)CCC(C)C ZINC000741090179 576654662 /nfs/dbraw/zinc/65/46/62/576654662.db2.gz XSYIPTAPAIRKLX-LJQANCHMSA-N 0 0 335.492 3.047 10 10 EGCERN Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2O)c(C)n1-c1cccc(C)c1 ZINC000742235534 576760242 /nfs/dbraw/zinc/76/02/42/576760242.db2.gz RZNQJXOQVQBOGS-QFBILLFUSA-N 0 0 326.440 3.293 10 10 EGCERN CC[C@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCS1 ZINC000742427621 576783292 /nfs/dbraw/zinc/78/32/92/576783292.db2.gz WKUJBOGTKNUAOG-VGVVRCBHSA-N 0 0 336.413 3.113 10 10 EGCERN CCO[C@@H](C)c1nc(CN(C)C(=O)C2=CC(=O)CS2)cs1 ZINC000743726959 576815275 /nfs/dbraw/zinc/81/52/75/576815275.db2.gz PQPJFMIZHMQUFU-VIFPVBQESA-N 0 0 326.443 3.280 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[C@H](OC)C3)c2C)cc1 ZINC000189167454 1295506024 /nfs/dbraw/zinc/50/60/24/1295506024.db2.gz IAZCWYMSCZDRIL-QAPCUYQASA-N 0 0 342.439 3.400 10 10 EGCERN COc1ccc(N2CCN(Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000191883989 1295719403 /nfs/dbraw/zinc/71/94/03/1295719403.db2.gz XGBALUQBKSSZED-UHFFFAOYSA-N 0 0 325.387 3.028 10 10 EGCERN Cc1c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cccc1N(C)C ZINC000194002192 1295931962 /nfs/dbraw/zinc/93/19/62/1295931962.db2.gz ZRWCMUMLHWXWEC-LBPRGKRZSA-N 0 0 343.427 3.225 10 10 EGCERN C[C@@H](CC(=O)c1ccccc1F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202317 1296271908 /nfs/dbraw/zinc/27/19/08/1296271908.db2.gz DIWMKTCGJMIGBD-LBPRGKRZSA-N 0 0 327.355 3.283 10 10 EGCERN O=C(C[C@@H]1CSc2ccccc2O1)N1Cc2cccc(O)c2C1 ZINC000871206131 1296273470 /nfs/dbraw/zinc/27/34/70/1296273470.db2.gz SOEAEZZPHRFGME-CYBMUJFWSA-N 0 0 327.405 3.178 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)NCc3ccccc3)CC2)cc1 ZINC000244191025 1296299456 /nfs/dbraw/zinc/29/94/56/1296299456.db2.gz VNGLBOWOGIUTBE-UHFFFAOYSA-N 0 0 339.439 3.117 10 10 EGCERN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCCOC1 ZINC000708216428 1298236863 /nfs/dbraw/zinc/23/68/63/1298236863.db2.gz SHMJIZWYQSTHEZ-NSHDSACASA-N 0 0 334.641 3.419 10 10 EGCERN C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708139769 1298237784 /nfs/dbraw/zinc/23/77/84/1298237784.db2.gz IMYXMSLQJGESQP-LBPRGKRZSA-N 0 0 347.684 3.334 10 10 EGCERN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886289248 1303422832 /nfs/dbraw/zinc/42/28/32/1303422832.db2.gz QVIWCQITVKFDSZ-LBPRGKRZSA-N 0 0 326.234 3.204 10 10 EGCERN COc1cccc(CNc2cccc([C@@H]3CCCC(=O)N3)c2)c1O ZINC000886374863 1303451945 /nfs/dbraw/zinc/45/19/45/1303451945.db2.gz OZBGCEAZJLYXIF-INIZCTEOSA-N 0 0 326.396 3.354 10 10 EGCERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(F)c1[O-] ZINC000894686299 1309021108 /nfs/dbraw/zinc/02/11/08/1309021108.db2.gz IGXHCBKSXNPLIB-PHTAMDTFSA-N 0 0 333.382 3.315 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000895260362 1309262179 /nfs/dbraw/zinc/26/21/79/1309262179.db2.gz QITRKKBFZJQYCJ-HNNXBMFYSA-N 0 0 344.224 3.031 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)n2cnc(C)c2)cc1 ZINC000895493062 1309368688 /nfs/dbraw/zinc/36/86/88/1309368688.db2.gz DYOVLPLCDINHIS-UHFFFAOYSA-N 0 0 342.487 3.431 10 10 EGCERN CN(C)c1ccc(CN2CCn3cnc(C(F)(F)F)c3C2)cc1F ZINC000895561471 1309402376 /nfs/dbraw/zinc/40/23/76/1309402376.db2.gz CAMBLXIAWKSLCX-UHFFFAOYSA-N 0 0 342.340 3.123 10 10 EGCERN CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000895577047 1309409589 /nfs/dbraw/zinc/40/95/89/1309409589.db2.gz GFEOKKIVQAYDRU-GFCCVEGCSA-N 0 0 327.705 3.338 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000895901661 1309586720 /nfs/dbraw/zinc/58/67/20/1309586720.db2.gz SEWLCPPIIMLDSS-JTQLQIEISA-N 0 0 343.408 3.055 10 10 EGCERN C[C@@H]1C[C@H]1c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 ZINC000895991587 1309636025 /nfs/dbraw/zinc/63/60/25/1309636025.db2.gz WESXSUFLXAAUGW-VXNVDRBHSA-N 0 0 329.381 3.411 10 10 EGCERN CCO[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000896665351 1309966039 /nfs/dbraw/zinc/96/60/39/1309966039.db2.gz LGSADTDMNZILML-CVEARBPZSA-N 0 0 347.436 3.390 10 10 EGCERN CC1(C)C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)O1 ZINC000897331450 1310295059 /nfs/dbraw/zinc/29/50/59/1310295059.db2.gz OBMKRSOKYNWBGE-AWEZNQCLSA-N 0 0 335.425 3.388 10 10 EGCERN C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCO[C@@H]1C1CC1 ZINC000897414356 1310328242 /nfs/dbraw/zinc/32/82/42/1310328242.db2.gz YOJZDXPPRDEWGQ-AEFFLSMTSA-N 0 0 347.436 3.248 10 10 EGCERN CCn1ccnc1[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897892288 1310508230 /nfs/dbraw/zinc/50/82/30/1310508230.db2.gz JBFGNRDMIYYACU-VIFPVBQESA-N 0 0 331.397 3.020 10 10 EGCERN CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898273228 1310657123 /nfs/dbraw/zinc/65/71/23/1310657123.db2.gz UEVQGVOXICBJAT-NEPJUHHUSA-N 0 0 335.425 3.342 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]2CSC[C@H]2C1 ZINC000899179816 1310968432 /nfs/dbraw/zinc/96/84/32/1310968432.db2.gz RKJAZQAPNBLRAP-MWLCHTKSSA-N 0 0 335.450 3.138 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]2CSC[C@@H]2C1 ZINC000899179817 1310968464 /nfs/dbraw/zinc/96/84/64/1310968464.db2.gz RKJAZQAPNBLRAP-ONGXEEELSA-N 0 0 335.450 3.138 10 10 EGCERN O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899178084 1310968735 /nfs/dbraw/zinc/96/87/35/1310968735.db2.gz GKNGLGIMARFTCN-STQMWFEESA-N 0 0 347.436 3.105 10 10 EGCERN CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC(F)(F)C1 ZINC000899199730 1310976440 /nfs/dbraw/zinc/97/64/40/1310976440.db2.gz LJRCHPAVEHUEBG-UHFFFAOYSA-N 0 0 327.352 3.478 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000929539853 1328629885 /nfs/dbraw/zinc/62/98/85/1328629885.db2.gz IKDPRWHSMMLRLF-RMMWZPCPSA-N 0 0 340.467 3.059 10 10 EGCERN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000899750674 1317143892 /nfs/dbraw/zinc/14/38/92/1317143892.db2.gz LMIWQRMZOAMPJB-CQSZACIVSA-N 0 0 333.428 3.178 10 10 EGCERN COCCOCc1cccc(NC(=O)NCc2c(O)cccc2F)c1 ZINC000929786036 1328700928 /nfs/dbraw/zinc/70/09/28/1328700928.db2.gz XRFNLUNDBVTYDK-UHFFFAOYSA-N 0 0 348.374 3.016 10 10 EGCERN CN(C)c1ccc(CN(C(=O)c2ocnc2C(F)F)C2CC2)cc1 ZINC000858341611 1328740370 /nfs/dbraw/zinc/74/03/70/1328740370.db2.gz JERGRGTUVVOAQU-UHFFFAOYSA-N 0 0 335.354 3.483 10 10 EGCERN Cc1cc(CNC(=O)N[C@@H]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC000858398311 1328752806 /nfs/dbraw/zinc/75/28/06/1328752806.db2.gz UGBQTYBPINGXGD-AUUYWEPGSA-N 0 0 341.455 3.318 10 10 EGCERN CC[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858434759 1328761567 /nfs/dbraw/zinc/76/15/67/1328761567.db2.gz OREIUOAOVRDTQH-RYUDHWBXSA-N 0 0 344.242 3.207 10 10 EGCERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCS1 ZINC000914180168 1319258769 /nfs/dbraw/zinc/25/87/69/1319258769.db2.gz GXXVMMWOCKFZMX-ZBFHGGJFSA-N 0 0 333.501 3.370 10 10 EGCERN CCCSc1nsc(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000930402325 1328849077 /nfs/dbraw/zinc/84/90/77/1328849077.db2.gz OXBPHMWNTDSCAB-UHFFFAOYSA-N 0 0 336.442 3.294 10 10 EGCERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCc3ccc(F)cc32)C1 ZINC000858917519 1328889396 /nfs/dbraw/zinc/88/93/96/1328889396.db2.gz RRUSTXYXGUODDH-HNNXBMFYSA-N 0 0 346.402 3.328 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H]1CCC2(CCC2)O1 ZINC000919082081 1322025642 /nfs/dbraw/zinc/02/56/42/1322025642.db2.gz UBXCGIUTZVATRW-SFHVURJKSA-N 0 0 345.487 3.352 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]12CCO[C@@H]1CCCC2 ZINC000930905486 1329003005 /nfs/dbraw/zinc/00/30/05/1329003005.db2.gz HIEZDRVNNCOJSL-QUCCMNQESA-N 0 0 330.472 3.450 10 10 EGCERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCS1 ZINC000919918739 1322117208 /nfs/dbraw/zinc/11/72/08/1322117208.db2.gz QVQRFPIOCZRLRR-GDBMZVCRSA-N 0 0 331.485 3.146 10 10 EGCERN Cc1cc(Cn2nnc(-c3cscn3)n2)ccc1N1CCCCC1 ZINC000920345476 1322166309 /nfs/dbraw/zinc/16/63/09/1322166309.db2.gz FFWMFKBBKVIHPD-UHFFFAOYSA-N 0 0 340.456 3.144 10 10 EGCERN C[C@@H](NC(=O)NC1([C@H]2CCCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000922053948 1322446008 /nfs/dbraw/zinc/44/60/08/1322446008.db2.gz HALSQLGFSFPMNU-RHSMWYFYSA-N 0 0 331.460 3.215 10 10 EGCERN COc1cccc([C@@H]2C[C@H]2CNC(=O)NCc2c(O)cccc2F)c1 ZINC000922909565 1322646755 /nfs/dbraw/zinc/64/67/55/1322646755.db2.gz PGNSAOFVOSDOKT-ZFWWWQNUSA-N 0 0 344.386 3.143 10 10 EGCERN CN1CCCc2cc(CNC(=O)[C@@]34CCO[C@H]3CCCC4)ccc21 ZINC000931152791 1329062342 /nfs/dbraw/zinc/06/23/42/1329062342.db2.gz ZGYIXVQYSLIXRN-ICSRJNTNSA-N 0 0 328.456 3.035 10 10 EGCERN COc1ccc(N2CCN(C(=O)C[C@@H](C)C(F)(F)F)CC2)cc1F ZINC000859965769 1329120143 /nfs/dbraw/zinc/12/01/43/1329120143.db2.gz GICQUWOWUFBPNH-LLVKDONJSA-N 0 0 348.340 3.071 10 10 EGCERN C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000926963141 1327800444 /nfs/dbraw/zinc/80/04/44/1327800444.db2.gz MMPMBUNRUZBFMA-QPUJVOFHSA-N 0 0 326.309 3.204 10 10 EGCERN CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000927130239 1327882003 /nfs/dbraw/zinc/88/20/03/1327882003.db2.gz MGSNUTADSLCGIF-TZMCWYRMSA-N 0 0 344.242 3.207 10 10 EGCERN CC(C)=CC[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000927216444 1327919710 /nfs/dbraw/zinc/91/97/10/1327919710.db2.gz LUPUCIYIESAWPQ-NSHDSACASA-N 0 0 328.199 3.357 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H]2CCSC3(CCC3)C2)c1O ZINC000927263009 1327939297 /nfs/dbraw/zinc/93/92/97/1327939297.db2.gz CGDJCLCCSYNEJS-CYBMUJFWSA-N 0 0 336.457 3.018 10 10 EGCERN COc1ccccc1C[C@@H](C)CC(=O)NCc1c(O)cccc1F ZINC000928710384 1328406366 /nfs/dbraw/zinc/40/63/66/1328406366.db2.gz CQILNBWTDUDISE-CYBMUJFWSA-N 0 0 331.387 3.425 10 10 EGCERN CO[C@H]1CCC[C@H](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026098 1329455748 /nfs/dbraw/zinc/45/57/48/1329455748.db2.gz GZRWPWIAPJWZFF-BBRMVZONSA-N 0 0 328.412 3.152 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)c1 ZINC000862753849 1329506441 /nfs/dbraw/zinc/50/64/41/1329506441.db2.gz JCJTWIVJWJGVGR-MRXNPFEDSA-N 0 0 333.334 3.417 10 10 EGCERN COC(C)(C)c1nc(C)c(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862756111 1329506895 /nfs/dbraw/zinc/50/68/95/1329506895.db2.gz QKLHBOMBGICSGW-UHFFFAOYSA-N 0 0 334.441 3.277 10 10 EGCERN C/C=C\c1ccc(OCC(=O)NCc2cc(C)ccc2O)c(OC)c1 ZINC000862761051 1329507476 /nfs/dbraw/zinc/50/74/76/1329507476.db2.gz BQIAYDONQLXAMJ-PLNGDYQASA-N 0 0 341.407 3.438 10 10 EGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865780512 1329737938 /nfs/dbraw/zinc/73/79/38/1329737938.db2.gz LTETYKUMOYMMQG-ZDUSSCGKSA-N 0 0 346.254 3.374 10 10 EGCERN C[C@@H](Nc1cnn2c1CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000866461607 1330115284 /nfs/dbraw/zinc/11/52/84/1330115284.db2.gz SDKMDLVWLODUCN-CQSZACIVSA-N 0 0 344.434 3.368 10 10 EGCERN CCOC(=O)c1cc(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])on1 ZINC000866517232 1330120952 /nfs/dbraw/zinc/12/09/52/1330120952.db2.gz YSCQAFJGJUBCQW-CYBMUJFWSA-N 0 0 338.791 3.451 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000866528886 1330121922 /nfs/dbraw/zinc/12/19/22/1330121922.db2.gz JZKIXMTUKXNLMH-HIFRSBDPSA-N 0 0 333.428 3.036 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC000867301807 1330192542 /nfs/dbraw/zinc/19/25/42/1330192542.db2.gz FKBDJJMLCOSCFV-GFCCVEGCSA-N 0 0 341.407 3.172 10 10 EGCERN C[C@@H](CC1CCC1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000868117319 1330251272 /nfs/dbraw/zinc/25/12/72/1330251272.db2.gz RVBPESLAUDOLDS-AWEZNQCLSA-N 0 0 349.450 3.040 10 10 EGCERN C[C@H](NC(=O)NC[C@@H]1COC2(CCC(C)CC2)O1)c1ccccc1O ZINC000868480766 1330284809 /nfs/dbraw/zinc/28/48/09/1330284809.db2.gz GSIWXJNEXCZHGN-UARSRXHTSA-N 0 0 348.443 3.074 10 10 EGCERN COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccccc2O)OC)c1 ZINC000868798338 1330346973 /nfs/dbraw/zinc/34/69/73/1330346973.db2.gz JDKJABQVRWBICT-UGSOOPFHSA-N 0 0 344.411 3.149 10 10 EGCERN CCO[C@H](C(=O)NCc1ccc2cccnc2c1O)C1CCCC1 ZINC000868937456 1330378430 /nfs/dbraw/zinc/37/84/30/1330378430.db2.gz JMVAPOAWMLLQSG-SFHVURJKSA-N 0 0 328.412 3.152 10 10 EGCERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000869003096 1330392882 /nfs/dbraw/zinc/39/28/82/1330392882.db2.gz MOJLFBLKAVMFJV-IEBWSBKVSA-N 0 0 345.487 3.065 10 10 EGCERN Cc1ccc(O)c(CNC(=O)[C@H]2c3ccccc3C(=O)OC2(C)C)c1 ZINC000869411260 1330485889 /nfs/dbraw/zinc/48/58/89/1330485889.db2.gz SNAMSVPCFREJBO-QGZVFWFLSA-N 0 0 339.391 3.050 10 10 EGCERN C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)C(C)(C)C ZINC000869472380 1330507038 /nfs/dbraw/zinc/50/70/38/1330507038.db2.gz FSCMVAOHTVGTTE-LLVKDONJSA-N 0 0 346.452 3.477 10 10 EGCERN COC(=O)c1cc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)cs1 ZINC001195789367 1368490380 /nfs/dbraw/zinc/49/03/80/1368490380.db2.gz LYNJMAVQQLGLAR-UHFFFAOYSA-N 0 0 348.468 3.112 10 10 EGCERN CN(C)c1ccc(/C=C/CNc2ccnn2C[C@H]2CCOC2)cc1 ZINC001325575216 1388005300 /nfs/dbraw/zinc/00/53/00/1388005300.db2.gz WJYYVLQRJCXPFM-REMYHPOOSA-N 0 0 326.444 3.111 10 10 EGCERN O=C(/C=C\C=C(Cl)Cl)NCc1ccc(N2CCOCC2)cc1 ZINC001119519613 1371361043 /nfs/dbraw/zinc/36/10/43/1371361043.db2.gz QMVXFBWPDYQECX-IWQZZHSRSA-N 0 0 341.238 3.015 10 10 EGCERN CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC001124100159 1372672768 /nfs/dbraw/zinc/67/27/68/1372672768.db2.gz VPBAUPHQWPFUNT-CYBMUJFWSA-N 0 0 343.427 3.069 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCC1CCOCC1 ZINC001124549772 1372711164 /nfs/dbraw/zinc/71/11/64/1372711164.db2.gz QKZSEYZVFVPGEE-UHFFFAOYSA-N 0 0 330.472 3.452 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cc(C(F)(F)F)ccn2)cc1F ZINC001125534248 1372802690 /nfs/dbraw/zinc/80/26/90/1372802690.db2.gz FJHQGCXRYLESQZ-UHFFFAOYSA-N 0 0 341.308 3.236 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)c3c(C)cccc3F)C2)cc1 ZINC001326636032 1388264119 /nfs/dbraw/zinc/26/41/19/1388264119.db2.gz FTNHJTNFAVKHLV-HNNXBMFYSA-N 0 0 342.414 3.399 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC001130748899 1373587476 /nfs/dbraw/zinc/58/74/76/1373587476.db2.gz YYZAFTSUKZAYAV-OSYLJGHBSA-N 0 0 330.472 3.416 10 10 EGCERN COc1ccc(N2CCN(C(=O)/C=C(/C)C(C)(C)C)CC2)c(OC)c1 ZINC001131806904 1373813700 /nfs/dbraw/zinc/81/37/00/1373813700.db2.gz XJNVGDJYZLJSJW-SQFISAMPSA-N 0 0 346.471 3.345 10 10 EGCERN Cc1cccc2c1CCN2C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001132821673 1375582670 /nfs/dbraw/zinc/58/26/70/1375582670.db2.gz IYPSCRBISMFVOK-OAHLLOKOSA-N 0 0 342.439 3.498 10 10 EGCERN CC1(C)C[C@@H](OC(=O)c2csc(Cc3ccc(N)cc3)n2)CO1 ZINC001327147115 1388404445 /nfs/dbraw/zinc/40/44/45/1388404445.db2.gz SJQZTCXXPHSTAN-CYBMUJFWSA-N 0 0 332.425 3.040 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)cc1 ZINC001230823388 1376158690 /nfs/dbraw/zinc/15/86/90/1376158690.db2.gz ZKVITWFFEKAHSQ-OLMNPRSZSA-N 0 0 347.503 3.392 10 10 EGCERN COC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cccnc1C)CCC2 ZINC001133860891 1376237658 /nfs/dbraw/zinc/23/76/58/1376237658.db2.gz BSEDHQIBVRYNQW-MDZDMXLPSA-N 0 0 336.391 3.169 10 10 EGCERN COC1(C)CN(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001234327263 1376811084 /nfs/dbraw/zinc/81/10/84/1376811084.db2.gz NZMVNTDVANDGHF-UHFFFAOYSA-N 0 0 341.455 3.333 10 10 EGCERN COc1ccccc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135425447 1377089832 /nfs/dbraw/zinc/08/98/32/1377089832.db2.gz HXMWBEPUZVFHBK-UHFFFAOYSA-N 0 0 326.356 3.130 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)Cc2nc(C3CC3)cs2)cc1 ZINC001135689342 1377184376 /nfs/dbraw/zinc/18/43/76/1377184376.db2.gz CJJFKQWHQPBGBM-UHFFFAOYSA-N 0 0 329.469 3.288 10 10 EGCERN CCCC[C@@H](O)CCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001136336485 1377378774 /nfs/dbraw/zinc/37/87/74/1377378774.db2.gz SAQSFDPTYFRWTE-GOSISDBHSA-N 0 0 348.487 3.065 10 10 EGCERN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136801421 1377424796 /nfs/dbraw/zinc/42/47/96/1377424796.db2.gz SIIZOCNLKXZXGE-ZFWWWQNUSA-N 0 0 346.431 3.420 10 10 EGCERN O=C(NCc1ccccc1O)c1cnn(-c2ccccc2)c1C(F)F ZINC001137471593 1377554111 /nfs/dbraw/zinc/55/41/11/1377554111.db2.gz SBRJCMPPBGFJAN-UHFFFAOYSA-N 0 0 343.333 3.446 10 10 EGCERN O=C(Cc1nc(C2CCCCC2)cs1)NCc1ccc(O)cc1O ZINC001142533409 1378453961 /nfs/dbraw/zinc/45/39/61/1378453961.db2.gz JENFKDGRRCFMJU-UHFFFAOYSA-N 0 0 346.452 3.461 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCC(=O)c2ccccc21 ZINC001142730837 1378482681 /nfs/dbraw/zinc/48/26/81/1378482681.db2.gz FMVQPANQBAIPJK-QGZVFWFLSA-N 0 0 346.386 3.317 10 10 EGCERN CC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1C ZINC001142730906 1378482683 /nfs/dbraw/zinc/48/26/83/1378482683.db2.gz HPDOJJDGZRXCIZ-UHFFFAOYSA-N 0 0 334.375 3.381 10 10 EGCERN C[C@@]1(C(=O)NCc2ccc3cccnc3c2O)OCCc2ccccc21 ZINC001142730911 1378482741 /nfs/dbraw/zinc/48/27/41/1378482741.db2.gz HTDDVPFWJGKZAB-OAQYLSRUSA-N 0 0 348.402 3.045 10 10 EGCERN COc1ccc(OCCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001146233542 1378801010 /nfs/dbraw/zinc/80/10/10/1378801010.db2.gz VNUOLTREBXZSAD-UHFFFAOYSA-N 0 0 335.787 3.140 10 10 EGCERN O=C(CCc1ccc2ccccc2c1O)NCc1ccc(O)c(O)c1 ZINC001150377620 1379541875 /nfs/dbraw/zinc/54/18/75/1379541875.db2.gz KKXMIOIRKCLOCB-UHFFFAOYSA-N 0 0 337.375 3.206 10 10 EGCERN CCc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c(O)c1 ZINC001150378995 1379542114 /nfs/dbraw/zinc/54/21/14/1379542114.db2.gz ZOQXCPUHYJOSJW-UHFFFAOYSA-N 0 0 325.408 3.469 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001327884929 1388615120 /nfs/dbraw/zinc/61/51/20/1388615120.db2.gz SVQNLARFMBZZBB-RBVVOMGSSA-N 0 0 337.414 3.376 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc3cnccc32)c1 ZINC001150543847 1379564979 /nfs/dbraw/zinc/56/49/79/1379564979.db2.gz VPGDJHBSGCXSBF-ZDUSSCGKSA-N 0 0 336.391 3.369 10 10 EGCERN COc1ccc(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)c(OC)c1 ZINC001151777427 1379777765 /nfs/dbraw/zinc/77/77/65/1379777765.db2.gz UNIFNMJYSXJRFM-UHFFFAOYSA-N 0 0 342.355 3.143 10 10 EGCERN O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc(O)ccc1O ZINC001153884686 1380149508 /nfs/dbraw/zinc/14/95/08/1380149508.db2.gz FPDRDTDVVYUHMT-CQSZACIVSA-N 0 0 339.313 3.450 10 10 EGCERN Cc1c2cccc(Cl)c2[nH]c1C(=O)NCc1cc(O)ccc1O ZINC001153886058 1380149562 /nfs/dbraw/zinc/14/95/62/1380149562.db2.gz UVEQZRMAVPUUKF-UHFFFAOYSA-N 0 0 330.771 3.471 10 10 EGCERN Cc1cc(C(=O)N2C[C@@H]3COC[C@@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC001154064345 1380195887 /nfs/dbraw/zinc/19/58/87/1380195887.db2.gz NJVCQGPZKVIIML-GASCZTMLSA-N 0 0 344.842 3.466 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1ccc(Cl)c2ncccc12 ZINC001156885752 1380717597 /nfs/dbraw/zinc/71/75/97/1380717597.db2.gz NCEPUFQHAAZYKJ-UHFFFAOYSA-N 0 0 328.755 3.229 10 10 EGCERN CCNc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001157983060 1381093112 /nfs/dbraw/zinc/09/31/12/1381093112.db2.gz AIJLIAACENPZTR-UHFFFAOYSA-N 0 0 329.381 3.392 10 10 EGCERN Cc1cc(CNC(=O)c2c3c(nn2C)CCC3)c(C)n1-c1ccccc1 ZINC001287660093 1381318347 /nfs/dbraw/zinc/31/83/47/1381318347.db2.gz AJKDBIQKQRWHSY-UHFFFAOYSA-N 0 0 348.450 3.246 10 10 EGCERN Cn1cc(C(=O)NCc2cccc(Cl)c2O)c(-c2ccccc2)n1 ZINC001159034392 1381529088 /nfs/dbraw/zinc/52/90/88/1381529088.db2.gz UJWMWYBIKCLUNI-UHFFFAOYSA-N 0 0 341.798 3.376 10 10 EGCERN COc1ccc(-c2cnc(NC(=O)C3=CC(=O)CS3)n2C)cc1 ZINC001160023816 1381971132 /nfs/dbraw/zinc/97/11/32/1381971132.db2.gz XTQLWGLNDBAOKU-UHFFFAOYSA-N 0 0 329.381 3.115 10 10 EGCERN CCc1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001292939758 1382234586 /nfs/dbraw/zinc/23/45/86/1382234586.db2.gz IFBZZKLSORFQTD-ZIAGYGMSSA-N 0 0 345.466 3.329 10 10 EGCERN CCC(O)(CC)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001293407591 1382283660 /nfs/dbraw/zinc/28/36/60/1382283660.db2.gz CQILQHDDKWCONJ-UHFFFAOYSA-N 0 0 342.439 3.188 10 10 EGCERN O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)C1=CC(=O)CS1 ZINC001294091193 1382416935 /nfs/dbraw/zinc/41/69/35/1382416935.db2.gz ZZEGIQYKXOFOBP-UHFFFAOYSA-N 0 0 339.376 3.353 10 10 EGCERN C[C@H](C[C@H](O)c1ccco1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001294542958 1382469760 /nfs/dbraw/zinc/46/97/60/1382469760.db2.gz RTLLZZDMSPTFJB-RNCFNFMXSA-N 0 0 347.392 3.148 10 10 EGCERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)c1ccc2c(c1)OCO2 ZINC001295128803 1382546274 /nfs/dbraw/zinc/54/62/74/1382546274.db2.gz JADAQWZOAPJDQK-UHFFFAOYSA-N 0 0 343.360 3.318 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccccc1OC1CC1 ZINC001162612798 1382809606 /nfs/dbraw/zinc/80/96/06/1382809606.db2.gz QHUJTPJWKPOKJN-UHFFFAOYSA-N 0 0 334.375 3.412 10 10 EGCERN CN(Cc1ccccc1O)c1ncnc2c1cnn2-c1ccccc1F ZINC001162837534 1382891506 /nfs/dbraw/zinc/89/15/06/1382891506.db2.gz BWTBIYYELLIZGW-UHFFFAOYSA-N 0 0 349.369 3.297 10 10 EGCERN CC[C@@H](CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C)C(=O)OC ZINC001163189861 1382988500 /nfs/dbraw/zinc/98/85/00/1382988500.db2.gz QIXIWGFUQJYPLV-INIZCTEOSA-N 0 0 342.439 3.332 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)c1ccccc1NC(=O)C1CC1 ZINC001165507180 1383304698 /nfs/dbraw/zinc/30/46/98/1383304698.db2.gz BINBAELFQLACKC-UHFFFAOYSA-N 0 0 344.798 3.324 10 10 EGCERN COC(=O)c1cc(OCc2cc(-c3ccco3)on2)ccc1N(C)C ZINC001166713872 1383465244 /nfs/dbraw/zinc/46/52/44/1383465244.db2.gz LGDRTLQBCYUJJH-UHFFFAOYSA-N 0 0 342.351 3.366 10 10 EGCERN Cc1ccc(O)c(CNC(=O)CCc2nc(-c3cccs3)no2)c1 ZINC001167290981 1383586419 /nfs/dbraw/zinc/58/64/19/1383586419.db2.gz OPHZGIXERPETOO-UHFFFAOYSA-N 0 0 343.408 3.061 10 10 EGCERN O=C(CCn1cnc2ccccc21)NCc1cc(Cl)ccc1O ZINC001300402247 1383663091 /nfs/dbraw/zinc/66/30/91/1383663091.db2.gz XHTOZNZYVBFBSH-UHFFFAOYSA-N 0 0 329.787 3.102 10 10 EGCERN CC(C)c1noc(CCC(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001304089988 1383828922 /nfs/dbraw/zinc/82/89/22/1383828922.db2.gz UJLHSQLDVUSYAP-UHFFFAOYSA-N 0 0 339.395 3.301 10 10 EGCERN C[C@@H]1C[C@@H]1n1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1O ZINC001304957022 1383858376 /nfs/dbraw/zinc/85/83/76/1383858376.db2.gz SCXCGGZTGOBLEU-PBHICJAKSA-N 0 0 349.438 3.187 10 10 EGCERN CCn1cnc2c1nc(Cl)nc2NCc1ccc(N(C)C)cc1C ZINC001306963514 1383927161 /nfs/dbraw/zinc/92/71/61/1383927161.db2.gz CFFGYPHRVAUJJB-UHFFFAOYSA-N 0 0 344.850 3.486 10 10 EGCERN COc1cc2c(c(OC)c1)N(CC(=O)N(C)[C@@H](C)CC(C)C)CCC2 ZINC001307841810 1384041091 /nfs/dbraw/zinc/04/10/91/1384041091.db2.gz JXCLUMBWADDFND-HNNXBMFYSA-N 0 0 348.487 3.349 10 10 EGCERN C[C@@H]1C[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001312377435 1384344157 /nfs/dbraw/zinc/34/41/57/1384344157.db2.gz JOYWFBILZWKALK-AEFFLSMTSA-N 0 0 345.487 3.243 10 10 EGCERN C[C@@H](NC(=O)N[C@H](CO)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001312530202 1384355612 /nfs/dbraw/zinc/35/56/12/1384355612.db2.gz BAXCJHKMNWDCGZ-ZBFHGGJFSA-N 0 0 335.492 3.300 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCCC23CC3)cc1 ZINC001313120100 1384397811 /nfs/dbraw/zinc/39/78/11/1384397811.db2.gz GQVIVPWRCPCCSU-QGZVFWFLSA-N 0 0 331.460 3.106 10 10 EGCERN Cc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC001313154317 1384399753 /nfs/dbraw/zinc/39/97/53/1384399753.db2.gz CWRLWROSJCOGDJ-UHFFFAOYSA-N 0 0 349.774 3.262 10 10 EGCERN COC[C@H](C)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001315777279 1384452989 /nfs/dbraw/zinc/45/29/89/1384452989.db2.gz GNKLJQKVPLULQG-CQSZACIVSA-N 0 0 344.459 3.170 10 10 EGCERN O=C(NCc1c(O)cccc1O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001178912688 1386347181 /nfs/dbraw/zinc/34/71/81/1386347181.db2.gz WPEVDCYXQFUCAK-UHFFFAOYSA-N 0 0 347.239 3.325 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1ccc(OCC2CC2)nc1 ZINC001330072301 1389300061 /nfs/dbraw/zinc/30/00/61/1389300061.db2.gz VZIUZHYCIZIHBD-UHFFFAOYSA-N 0 0 349.390 3.054 10 10 EGCERN Cc1cc(C(=O)NC2(c3ncon3)CC2)c(C)n1-c1ccccc1C ZINC001347967998 1391152665 /nfs/dbraw/zinc/15/26/65/1391152665.db2.gz NLQRNRKZXSSZNI-UHFFFAOYSA-N 0 0 336.395 3.205 10 10 EGCERN COCC[C@@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC001349869232 1391378387 /nfs/dbraw/zinc/37/83/87/1391378387.db2.gz IMFUNDIBUFUHSB-MOEXGYKKSA-N 0 0 338.407 3.357 10 10 EGCERN Cc1csc(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001353617587 1392052433 /nfs/dbraw/zinc/05/24/33/1392052433.db2.gz QVVRDFQKMAUPLO-UHFFFAOYSA-N 0 0 348.449 3.440 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1nsc2ccccc21 ZINC001354371266 1392140805 /nfs/dbraw/zinc/14/08/05/1392140805.db2.gz MCNAPNHTEOLGCJ-UHFFFAOYSA-N 0 0 339.420 3.402 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCc1cccnc1 ZINC001503488166 1396256616 /nfs/dbraw/zinc/25/66/16/1396256616.db2.gz QUWIIGUZVFBCPX-UHFFFAOYSA-N 0 0 349.438 3.135 10 10 EGCERN COc1cccc(CNC(=O)N[C@@H](CF)c2ccc(F)cc2)c1O ZINC001687380033 1396357053 /nfs/dbraw/zinc/35/70/53/1396357053.db2.gz FNQWLMYBSBMSMS-AWEZNQCLSA-N 0 0 336.338 3.050 10 10 EGCERN Cc1nnc(N2CC[C@@H]3CCC[C@H]32)n1Cc1ccc(N(C)C)c(F)c1 ZINC001707893998 1417388523 /nfs/dbraw/zinc/38/85/23/1417388523.db2.gz PXKUBOURXSZCBR-DOTOQJQBSA-N 0 0 343.450 3.219 10 10 EGCERN C[C@@H]1C[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC001726490804 1427064275 /nfs/dbraw/zinc/06/42/75/1427064275.db2.gz LUWUOTOYJMKVJX-CJNGLKHVSA-N 0 0 326.444 3.229 10 10 EGCERN CCC(CC)(Cn1c(C)nnc1N(C)Cc1ccccc1O)OC ZINC001727141044 1427098990 /nfs/dbraw/zinc/09/89/90/1427098990.db2.gz ZMDFRTCVDAMIOJ-UHFFFAOYSA-N 0 0 332.448 3.134 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N2CCSCC2)cc1 ZINC001728382254 1427147593 /nfs/dbraw/zinc/14/75/93/1427147593.db2.gz TUMWNQKRMJWSEI-UHFFFAOYSA-N 0 0 345.516 3.034 10 10 EGCERN CC[C@@H](Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1O)OC ZINC001762368651 1441375350 /nfs/dbraw/zinc/37/53/50/1441375350.db2.gz RSERQNAJSIXQNG-INIZCTEOSA-N 0 0 346.475 3.244 10 10 EGCERN CC(=O)[C@@H](N=Nc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000100045267 219088745 /nfs/dbraw/zinc/08/87/45/219088745.db2.gz FCUWHABSNJYYDW-AMGRQBIBSA-N 0 0 326.312 3.275 10 10 EGCERN CCOc1ccccc1NC(=S)NN=c1[nH]c2ccccc2[nH]1 ZINC000003357029 210016535 /nfs/dbraw/zinc/01/65/35/210016535.db2.gz SVMTZKFPTCBYHQ-UHFFFAOYSA-N 0 0 327.413 3.275 10 10 EGCERN CN(C)c1ccc(/C=C/C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000032841687 212855300 /nfs/dbraw/zinc/85/53/00/212855300.db2.gz JDBOOFIAJSWWPF-QGFLDLQWSA-N 0 0 349.478 3.281 10 10 EGCERN C[C@H](C(=O)NC(C)(C)C)N1CCCc2cc(OC(F)F)ccc21 ZINC000055026464 132192812 /nfs/dbraw/zinc/19/28/12/132192812.db2.gz RPBFNPHFHUELCF-LLVKDONJSA-N 0 0 326.387 3.344 10 10 EGCERN CC(C)C(=O)N1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 ZINC000012941390 453429168 /nfs/dbraw/zinc/42/91/68/453429168.db2.gz DZYKVVCDTKKWJK-UHFFFAOYSA-N 0 0 346.858 3.499 10 10 EGCERN COc1ccc2c(CC(=O)NCc3ccc(N(C)C)cc3)coc2c1 ZINC000015134786 453559000 /nfs/dbraw/zinc/55/90/00/453559000.db2.gz VFFQWNVUXWBVAB-UHFFFAOYSA-N 0 0 338.407 3.366 10 10 EGCERN COC(=O)/C=C/c1ccc(N(C)Cc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000052447431 454673400 /nfs/dbraw/zinc/67/34/00/454673400.db2.gz FOQQBUGSTMJXNJ-FNORWQNLSA-N 0 0 347.396 3.182 10 10 EGCERN COc1c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)nn1C ZINC000115123057 454999588 /nfs/dbraw/zinc/99/95/88/454999588.db2.gz WIUJLJSONDTGRP-UHFFFAOYSA-N 0 0 338.411 3.397 10 10 EGCERN CSCCCN1C(=O)/C(=C\c2cnn3ccccc23)SC1=S ZINC000171770333 455093150 /nfs/dbraw/zinc/09/31/50/455093150.db2.gz GQWRBCUZPYWSBA-UKTHLTGXSA-N 0 0 349.506 3.289 10 10 EGCERN Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)c(O)c1O ZINC000182956257 455198707 /nfs/dbraw/zinc/19/87/07/455198707.db2.gz RAUAYCBYPHEVTG-INIZCTEOSA-N 0 0 345.370 3.067 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000175653491 455477302 /nfs/dbraw/zinc/47/73/02/455477302.db2.gz KISXCGQGHOEKFU-INIZCTEOSA-N 0 0 331.391 3.076 10 10 EGCERN Cc1nnc([C@H](N[C@@H](C)c2cc(F)ccc2O)c2ccccc2)[nH]1 ZINC000185324983 455539779 /nfs/dbraw/zinc/53/97/79/455539779.db2.gz LTXAFVPUWKGVRI-APPDUMDISA-N 0 0 326.375 3.398 10 10 EGCERN Cc1ccc(C(=O)N(C)Cc2nc3c(s2)CCCC3)c(O)c1O ZINC000182552124 455539901 /nfs/dbraw/zinc/53/99/01/455539901.db2.gz YHMHWDCMJBBDOO-UHFFFAOYSA-N 0 0 332.425 3.014 10 10 EGCERN Cc1ccc(C(=O)NC2(c3noc(C(C)C)n3)CCCC2)c(O)c1O ZINC000182555552 455540033 /nfs/dbraw/zinc/54/00/33/455540033.db2.gz YUGVQAHNBPMHJT-UHFFFAOYSA-N 0 0 345.399 3.112 10 10 EGCERN CN(C)c1ccc(CNCc2ccn(Cc3ccccc3)n2)cc1F ZINC000284169836 455645490 /nfs/dbraw/zinc/64/54/90/455645490.db2.gz WXNDPIYUIXZZPU-UHFFFAOYSA-N 0 0 338.430 3.426 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000294795512 455827294 /nfs/dbraw/zinc/82/72/94/455827294.db2.gz VOKDXSNKTAVBTG-ISVAXAHUSA-N 0 0 341.732 3.320 10 10 EGCERN COC1CCN(c2ccc(CN(C)Cc3cc(C)on3)cc2)CC1 ZINC000295536556 455852454 /nfs/dbraw/zinc/85/24/54/455852454.db2.gz NZTFNRBVPKWVKR-UHFFFAOYSA-N 0 0 329.444 3.230 10 10 EGCERN COc1c(O)c(CNc2ccnn2[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000278907619 455852766 /nfs/dbraw/zinc/85/27/66/455852766.db2.gz RXNKFDVHOJCBHP-SNVBAGLBSA-N 0 0 332.360 3.089 10 10 EGCERN COC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000273347893 456224049 /nfs/dbraw/zinc/22/40/49/456224049.db2.gz BAYDSGFWXFYNJK-SUMWQHHRSA-N 0 0 329.396 3.217 10 10 EGCERN COC(=O)CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275268320 456272417 /nfs/dbraw/zinc/27/24/17/456272417.db2.gz JASJQXSHDGLYMA-UHFFFAOYSA-N 0 0 334.460 3.223 10 10 EGCERN C[C@@H]1CCCN(c2ccc(CNC(=O)Cn3ccnc3)cc2Cl)C1 ZINC000281915525 456360770 /nfs/dbraw/zinc/36/07/70/456360770.db2.gz ABZDGPBSRQRQHS-CQSZACIVSA-N 0 0 346.862 3.089 10 10 EGCERN COc1ccc(N2CCN(c3ncc(C(F)(F)F)s3)CC2)cc1 ZINC000302784203 456398497 /nfs/dbraw/zinc/39/84/97/456398497.db2.gz UPUFTLMSDLFHLN-UHFFFAOYSA-N 0 0 343.374 3.497 10 10 EGCERN Cc1cc(CO)oc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000282901161 456660034 /nfs/dbraw/zinc/66/00/34/456660034.db2.gz GZWSYRYUMLPBIE-UHFFFAOYSA-N 0 0 342.439 3.343 10 10 EGCERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000277359662 456795587 /nfs/dbraw/zinc/79/55/87/456795587.db2.gz FELBQPFOGISVAQ-SWLSCSKDSA-N 0 0 338.423 3.266 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H]3CCOC3)ccc21 ZINC000344286204 456813208 /nfs/dbraw/zinc/81/32/08/456813208.db2.gz LVLZJPANOFAEQC-MRXNPFEDSA-N 0 0 344.455 3.061 10 10 EGCERN Cc1ccc(C(=O)N2CC(Cc3ccccc3Cl)C2)c(O)c1O ZINC000378561975 457410524 /nfs/dbraw/zinc/41/05/24/457410524.db2.gz JDUGWZDOTIUUKH-UHFFFAOYSA-N 0 0 331.799 3.374 10 10 EGCERN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000366152758 457796280 /nfs/dbraw/zinc/79/62/80/457796280.db2.gz YHBKNPDQYAVMIT-MJGOQNOKSA-N 0 0 340.423 3.454 10 10 EGCERN Cc1ccc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c(O)c1O ZINC000366818522 457901218 /nfs/dbraw/zinc/90/12/18/457901218.db2.gz FBXDGGVCXQZKMA-IBGZPJMESA-N 0 0 329.371 3.349 10 10 EGCERN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1nnc2n1CCCCC2 ZINC000371679849 458030746 /nfs/dbraw/zinc/03/07/46/458030746.db2.gz UBBDERVLYALJQO-CYBMUJFWSA-N 0 0 331.439 3.060 10 10 EGCERN COc1cc(CN2CCc3nc(C(C)C)ncc3C2)c(O)cc1C ZINC000527614933 459670809 /nfs/dbraw/zinc/67/08/09/459670809.db2.gz GQRIWTFGFPXXBY-UHFFFAOYSA-N 0 0 327.428 3.181 10 10 EGCERN C[C@@]1(Br)C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000528859524 459815614 /nfs/dbraw/zinc/81/56/14/459815614.db2.gz DKXKBGSOLABACJ-CZUORRHYSA-N 0 0 338.245 3.061 10 10 EGCERN C[C@]1(Br)C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000528858877 459815706 /nfs/dbraw/zinc/81/57/06/459815706.db2.gz DKXKBGSOLABACJ-BBRMVZONSA-N 0 0 338.245 3.061 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]3C(F)F)ccc21 ZINC000633243557 461018135 /nfs/dbraw/zinc/01/81/35/461018135.db2.gz CRNUSAUFNJBWSJ-INIZCTEOSA-N 0 0 336.382 3.384 10 10 EGCERN CCO[C@H]1C[C@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000617958956 461040659 /nfs/dbraw/zinc/04/06/59/461040659.db2.gz WCZIGIQKKUUMDB-QAQDUYKDSA-N 0 0 344.455 3.202 10 10 EGCERN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000028332350 546532730 /nfs/dbraw/zinc/53/27/30/546532730.db2.gz DCPTZRHGZMATKV-GOSISDBHSA-N 0 0 349.434 3.029 10 10 EGCERN C[C@H]1C(=O)N(Cc2ccc(N(C)C)cc2)C(=O)N1Cc1ccccc1 ZINC000286026858 547390819 /nfs/dbraw/zinc/39/08/19/547390819.db2.gz SGFQTPPPWFJWFV-HNNXBMFYSA-N 0 0 337.423 3.106 10 10 EGCERN Cc1cc(S(=O)(=O)N(C)Cc2ccccc2O)c(Cl)cc1F ZINC000751238775 574755857 /nfs/dbraw/zinc/75/58/57/574755857.db2.gz CSKOTBGAFCLVTI-UHFFFAOYSA-N 0 0 343.807 3.314 10 10 EGCERN CCN(CC(=O)OC)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000728703771 574767547 /nfs/dbraw/zinc/76/75/47/574767547.db2.gz PNPYPNNWVDXXAM-UHFFFAOYSA-N 0 0 348.830 3.383 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000728979256 574790709 /nfs/dbraw/zinc/79/07/09/574790709.db2.gz DIKNBCXVWGDCPX-BMLIUANNSA-N 0 0 347.798 3.235 10 10 EGCERN COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000730177523 574930574 /nfs/dbraw/zinc/93/05/74/574930574.db2.gz NHQUKIGSFOZUIE-IAGOWNOFSA-N 0 0 342.414 3.320 10 10 EGCERN CCOc1ccc([C@@H](C)NC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734064759 575428636 /nfs/dbraw/zinc/42/86/36/575428636.db2.gz KFUBOHKZKWUXNW-CYBMUJFWSA-N 0 0 344.411 3.360 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3nc(C)cn3c2)c1 ZINC000738920603 576369277 /nfs/dbraw/zinc/36/92/77/576369277.db2.gz SPHWJDXZFBUKGU-GFCCVEGCSA-N 0 0 340.383 3.240 10 10 EGCERN Cc1sc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000743718494 576815231 /nfs/dbraw/zinc/81/52/31/576815231.db2.gz DIRWCNHHNYFWOW-UHFFFAOYSA-N 0 0 346.408 3.479 10 10 EGCERN Nc1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000036288602 1291396667 /nfs/dbraw/zinc/39/66/67/1291396667.db2.gz WOQDANOKPKFAEW-UHFFFAOYSA-N 0 0 331.224 3.054 10 10 EGCERN COc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000054095471 1291742299 /nfs/dbraw/zinc/74/22/99/1291742299.db2.gz ZIQFKNMJGVQXNU-UHFFFAOYSA-N 0 0 331.460 3.250 10 10 EGCERN COC[C@@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000103615533 1293010292 /nfs/dbraw/zinc/01/02/92/1293010292.db2.gz ZWCHYBXETCJZDW-CXAGYDPISA-N 0 0 344.411 3.149 10 10 EGCERN COc1ccc(N(CC(=O)N(C)CC2CC2)Cc2ccco2)cc1F ZINC000150865849 1293897207 /nfs/dbraw/zinc/89/72/07/1293897207.db2.gz XOHGLIFCDMNHAO-UHFFFAOYSA-N 0 0 346.402 3.302 10 10 EGCERN Cc1cc(C(=O)Nc2cnn3c2CCCC3)c(C)n1-c1ccccn1 ZINC000870693813 1296023185 /nfs/dbraw/zinc/02/31/85/1296023185.db2.gz VIWFCKLGSAXTSW-UHFFFAOYSA-N 0 0 335.411 3.274 10 10 EGCERN CC(=O)N1CCCN(C(=O)/C=C\c2cncc(C)c2)c2ccccc21 ZINC000255578358 1296549818 /nfs/dbraw/zinc/54/98/18/1296549818.db2.gz VRHBSGIEDWNOQE-HJWRWDBZSA-N 0 0 335.407 3.193 10 10 EGCERN CC(=O)C1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000873044748 1297243813 /nfs/dbraw/zinc/24/38/13/1297243813.db2.gz ACWNFDYNQQZHEZ-HNNXBMFYSA-N 0 0 345.487 3.003 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1 ZINC000873861281 1297707942 /nfs/dbraw/zinc/70/79/42/1297707942.db2.gz BKRPJMSCXOTRBB-IAGOWNOFSA-N 0 0 326.444 3.018 10 10 EGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000873861247 1297708031 /nfs/dbraw/zinc/70/80/31/1297708031.db2.gz AAJBXSIUMMKZAH-QZTJIDSGSA-N 0 0 338.455 3.162 10 10 EGCERN COC[C@H]1C[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000882103785 1301829608 /nfs/dbraw/zinc/82/96/08/1301829608.db2.gz BUOXOSSJILTUEY-FZNQNYSPSA-N 0 0 330.403 3.388 10 10 EGCERN CN1CCCc2cc(CNC(=O)C[C@H]3CCC4(CCC4)O3)ccc21 ZINC000888578333 1304205044 /nfs/dbraw/zinc/20/50/44/1304205044.db2.gz MMBJIYJLUCBGIL-QGZVFWFLSA-N 0 0 328.456 3.177 10 10 EGCERN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000894088566 1306210909 /nfs/dbraw/zinc/21/09/09/1306210909.db2.gz LSUHRMCPTKDHMM-QMTHXVAHSA-N 0 0 344.224 3.295 10 10 EGCERN COC(=O)c1c(CN[C@@H](C)c2cscn2)c2cc(F)ccc2n1C ZINC000895253735 1309259284 /nfs/dbraw/zinc/25/92/84/1309259284.db2.gz IMXHRHZDTVSDCP-JTQLQIEISA-N 0 0 347.415 3.411 10 10 EGCERN C[C@@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000895275747 1309266835 /nfs/dbraw/zinc/26/68/35/1309266835.db2.gz OXRCCEBSYNDHST-QMTHXVAHSA-N 0 0 346.652 3.276 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(C(C)=O)c1 ZINC000895526243 1309385035 /nfs/dbraw/zinc/38/50/35/1309385035.db2.gz JQHVINYXEOTUBC-UHFFFAOYSA-N 0 0 325.412 3.013 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(OC)nc1 ZINC000895527152 1309385311 /nfs/dbraw/zinc/38/53/11/1309385311.db2.gz WEFOCRJKRZLLEN-UHFFFAOYSA-N 0 0 341.455 3.138 10 10 EGCERN C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)c(F)cc3[O-])O2)[C@H]1C ZINC000895821681 1309536594 /nfs/dbraw/zinc/53/65/94/1309536594.db2.gz SKJWURHLCLRMMN-BWCYYRKRSA-N 0 0 343.826 3.247 10 10 EGCERN O=C(NCCCSc1nccs1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000896333895 1309808610 /nfs/dbraw/zinc/80/86/10/1309808610.db2.gz JSRYWXIMUGBFJX-YOGCLGLASA-N 0 0 328.528 3.416 10 10 EGCERN COCCn1c(C)c(C)c2cc(-c3nc(-c4cn[nH]c4)no3)ccc21 ZINC000896541786 1309908731 /nfs/dbraw/zinc/90/87/31/1309908731.db2.gz MORSNAMXNPYSFR-UHFFFAOYSA-N 0 0 337.383 3.345 10 10 EGCERN CC(C)(C)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1O ZINC000897316022 1310286312 /nfs/dbraw/zinc/28/63/12/1310286312.db2.gz QDWXEMSYGMCLKK-SMDDNHRTSA-N 0 0 349.452 3.182 10 10 EGCERN CC1(C)C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)O1 ZINC000897331451 1310295228 /nfs/dbraw/zinc/29/52/28/1310295228.db2.gz OBMKRSOKYNWBGE-CQSZACIVSA-N 0 0 335.425 3.388 10 10 EGCERN COCC1(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897850442 1310490470 /nfs/dbraw/zinc/49/04/70/1310490470.db2.gz QWLDFMKCNGTPRM-UHFFFAOYSA-N 0 0 335.425 3.249 10 10 EGCERN O=C(NC[C@@H]1CCCC1(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000897900955 1310511609 /nfs/dbraw/zinc/51/16/09/1310511609.db2.gz MAAYDAUBRHYVKX-VIFPVBQESA-N 0 0 327.352 3.478 10 10 EGCERN O=C(Nc1cc(CC2CC2)[nH]n1)c1cc2cc(O)c(O)cc2s1 ZINC000899187092 1310971056 /nfs/dbraw/zinc/97/10/56/1310971056.db2.gz QBJAYYNJORPDCK-UHFFFAOYSA-N 0 0 329.381 3.240 10 10 EGCERN CCCc1nnc(NC(=O)NCc2cccc(Cl)c2O)s1 ZINC000929339283 1328572540 /nfs/dbraw/zinc/57/25/40/1328572540.db2.gz FVUUISIXWFRPQZ-UHFFFAOYSA-N 0 0 326.809 3.171 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2ccc(OC(F)F)nc2)cc1 ZINC000929532386 1328627974 /nfs/dbraw/zinc/62/79/74/1328627974.db2.gz MSCINMDECYYPPU-UHFFFAOYSA-N 0 0 335.354 3.021 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)c2ccc(P(C)(C)=O)cc2)cc1 ZINC000929533630 1328628375 /nfs/dbraw/zinc/62/83/75/1328628375.db2.gz UFLRZPQGYPBNQX-UHFFFAOYSA-N 0 0 344.395 3.273 10 10 EGCERN C[C@@H](NC(=O)c1cn2c(n1)CC[C@H](C)C2)c1ccc(N(C)C)cc1 ZINC000857950660 1328638410 /nfs/dbraw/zinc/63/84/10/1328638410.db2.gz JWHKZYZTEJNBKW-UONOGXRCSA-N 0 0 326.444 3.022 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1F ZINC000858206550 1328711268 /nfs/dbraw/zinc/71/12/68/1328711268.db2.gz KNLSDNMTGBQWLZ-QAPCUYQASA-N 0 0 349.450 3.039 10 10 EGCERN CN(C)c1cc(F)c(CNCc2c(C(F)(F)F)cnn2C)cc1F ZINC000858210849 1328711670 /nfs/dbraw/zinc/71/16/70/1328711670.db2.gz YUSNNUDCSGRNMR-UHFFFAOYSA-N 0 0 348.319 3.073 10 10 EGCERN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000858592548 1328803550 /nfs/dbraw/zinc/80/35/50/1328803550.db2.gz FUIXIDMPQFSHJZ-LPEHRKFASA-N 0 0 332.213 3.369 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)cc1 ZINC000858598695 1328806369 /nfs/dbraw/zinc/80/63/69/1328806369.db2.gz GVQWFAYWKCMWTH-NCOADZHNSA-N 0 0 343.471 3.009 10 10 EGCERN C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000858604029 1328807843 /nfs/dbraw/zinc/80/78/43/1328807843.db2.gz ZCNNPINZQRBBBT-YGRLFVJLSA-N 0 0 342.361 3.215 10 10 EGCERN C[C@H](NC(=O)NC[C@]12C[C@H]1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000914400446 1319318518 /nfs/dbraw/zinc/31/85/18/1319318518.db2.gz LNBSYVATNJCQEJ-VPWXQRGCSA-N 0 0 343.471 3.074 10 10 EGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000915698160 1319523644 /nfs/dbraw/zinc/52/36/44/1319523644.db2.gz APJQJNFPBHHDRV-UHFFFAOYSA-N 0 0 338.411 3.398 10 10 EGCERN C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000858787410 1328861232 /nfs/dbraw/zinc/86/12/32/1328861232.db2.gz CZZJIWZDCSZEEU-OLZOCXBDSA-N 0 0 344.377 3.289 10 10 EGCERN CCOCCC1(CNC(=O)NCc2c(O)cccc2F)CCCC1 ZINC000921457046 1322318712 /nfs/dbraw/zinc/31/87/12/1322318712.db2.gz DUVGJAOBDCBVFD-UHFFFAOYSA-N 0 0 338.423 3.318 10 10 EGCERN COc1cccc(C2(CNC(=O)NCc3c(O)cccc3F)CC2)c1 ZINC000922512992 1322545666 /nfs/dbraw/zinc/54/56/66/1322545666.db2.gz MGNALTLMCQKLFY-UHFFFAOYSA-N 0 0 344.386 3.071 10 10 EGCERN CON(Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1csc(C)n1 ZINC000931549762 1329141867 /nfs/dbraw/zinc/14/18/67/1329141867.db2.gz ZCSPHJINOPXJNS-AWEZNQCLSA-N 0 0 347.484 3.413 10 10 EGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000927127754 1327880973 /nfs/dbraw/zinc/88/09/73/1327880973.db2.gz JTHFFZYXSMIWDI-UKRRQHHQSA-N 0 0 333.428 3.321 10 10 EGCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927277329 1327949499 /nfs/dbraw/zinc/94/94/99/1327949499.db2.gz BDWGFSSYPHKSOS-XBPVQUQDSA-N 0 0 345.292 3.004 10 10 EGCERN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1c(O)cccc1F ZINC000928710517 1328406139 /nfs/dbraw/zinc/40/61/39/1328406139.db2.gz UGKMPIQPVFKNJK-UHFFFAOYSA-N 0 0 347.434 3.250 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H]3C[C@H]2CS3)c1 ZINC000861957199 1329453082 /nfs/dbraw/zinc/45/30/82/1329453082.db2.gz ABZMHLBFEAGVMX-ROUUACIJSA-N 0 0 340.448 3.237 10 10 EGCERN C[C@H]1CCC[C@H](OCC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862028056 1329456026 /nfs/dbraw/zinc/45/60/26/1329456026.db2.gz OIZBIAUKDJTZIA-BBRMVZONSA-N 0 0 328.412 3.152 10 10 EGCERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C(F)F)o3)C2)cc1 ZINC000862158467 1329463195 /nfs/dbraw/zinc/46/31/95/1329463195.db2.gz HZHUIBCMAIUJIB-NSHDSACASA-N 0 0 336.338 3.235 10 10 EGCERN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1=CC(=O)CS1 ZINC000862637802 1329500318 /nfs/dbraw/zinc/50/03/18/1329500318.db2.gz PWQTXIFQXQPHKS-ZWNOBZJWSA-N 0 0 343.326 3.118 10 10 EGCERN Cc1cc(CN2C(=O)N[C@@H](CCF)C2=O)c(C)n1-c1cccc(C)c1 ZINC000863532591 1329561299 /nfs/dbraw/zinc/56/12/99/1329561299.db2.gz JYVIPMKXSUJIML-KRWDZBQOSA-N 0 0 343.402 3.183 10 10 EGCERN COC(=O)c1cc(C(=O)CSc2ncc(Cl)s2)c(C)[nH]1 ZINC000865372265 1329689693 /nfs/dbraw/zinc/68/96/93/1329689693.db2.gz OKUDRIHBBOLJEI-UHFFFAOYSA-N 0 0 330.818 3.195 10 10 EGCERN COC(=O)c1cc(OCc2csc(Cl)n2)ccc1N(C)C ZINC000865395496 1329691360 /nfs/dbraw/zinc/69/13/60/1329691360.db2.gz SHURJGNQQZIFQK-UHFFFAOYSA-N 0 0 326.805 3.228 10 10 EGCERN C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccccc1O ZINC000866236788 1330082926 /nfs/dbraw/zinc/08/29/26/1330082926.db2.gz CSJKEBZHQRBVIV-ZETCQYMHSA-N 0 0 330.266 3.226 10 10 EGCERN Cc1cc(N(C)C)cc(C)c1CC(=O)N(C)Cc1ccccc1O ZINC000866596545 1330131469 /nfs/dbraw/zinc/13/14/69/1330131469.db2.gz HFRVXUIELVGVMZ-UHFFFAOYSA-N 0 0 326.440 3.276 10 10 EGCERN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000866633267 1330136085 /nfs/dbraw/zinc/13/60/85/1330136085.db2.gz HDRZQSIYEXWBIE-FXPVBKGRSA-N 0 0 334.229 3.494 10 10 EGCERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccncc1 ZINC000866899851 1330155862 /nfs/dbraw/zinc/15/58/62/1330155862.db2.gz OCYWXIFWTBCWPW-QAPCUYQASA-N 0 0 340.423 3.099 10 10 EGCERN O=C(NCC[C@H]1CCSC1)NCc1ccc(N2CCCC2)cc1 ZINC000868111559 1330250758 /nfs/dbraw/zinc/25/07/58/1330250758.db2.gz DQRZOESCIKGFED-INIZCTEOSA-N 0 0 333.501 3.229 10 10 EGCERN CO[C@H](C)c1nc(CNC(=O)N[C@@H](C)c2ccccc2O)cs1 ZINC000868346605 1330272737 /nfs/dbraw/zinc/27/27/37/1330272737.db2.gz FRARTQDZDAKXCS-WDEREUQCSA-N 0 0 335.429 3.117 10 10 EGCERN COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000868563924 1330294377 /nfs/dbraw/zinc/29/43/77/1330294377.db2.gz YDXBAMGLMVJPFY-AFAVFJNCSA-N 0 0 326.396 3.317 10 10 EGCERN CCO[C@@H](C(=O)NCc1ccc2cccnc2c1O)C1CCCC1 ZINC000868937455 1330378121 /nfs/dbraw/zinc/37/81/21/1330378121.db2.gz JMVAPOAWMLLQSG-GOSISDBHSA-N 0 0 328.412 3.152 10 10 EGCERN C[C@H](NC(=O)NCCSCCC(F)(F)F)c1ccccc1O ZINC000869065876 1330407135 /nfs/dbraw/zinc/40/71/35/1330407135.db2.gz BVHOJFYJJQDAJV-JTQLQIEISA-N 0 0 336.379 3.438 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2CC(=O)NCCC1CCCCC1 ZINC001192940106 1367908137 /nfs/dbraw/zinc/90/81/37/1367908137.db2.gz ZOAMFZXNZJCSEN-UHFFFAOYSA-N 0 0 345.487 3.038 10 10 EGCERN COc1ccc(N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC001195818919 1368497593 /nfs/dbraw/zinc/49/75/93/1368497593.db2.gz JOSGCCRATGUIEF-UHFFFAOYSA-N 0 0 334.803 3.432 10 10 EGCERN COc1ccc(C[C@H](C)N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001116501654 1370925078 /nfs/dbraw/zinc/92/50/78/1370925078.db2.gz FCTOTBKVBHAMSX-OIOXUXFSSA-N 0 0 341.407 3.209 10 10 EGCERN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1(C)CC1 ZINC001123663846 1372547897 /nfs/dbraw/zinc/54/78/97/1372547897.db2.gz ICYQNHDOEDTDNO-GDBMZVCRSA-N 0 0 332.444 3.271 10 10 EGCERN COc1cc(C)cnc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124549574 1372711529 /nfs/dbraw/zinc/71/15/29/1372711529.db2.gz NBTPESCCUVZFFW-UHFFFAOYSA-N 0 0 339.439 3.271 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)cc1F ZINC001125534851 1372802562 /nfs/dbraw/zinc/80/25/62/1372802562.db2.gz PCVDANFXOARWOI-UHFFFAOYSA-N 0 0 342.414 3.492 10 10 EGCERN Cc1cc(C)n2ccc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2n1 ZINC001125534149 1372802830 /nfs/dbraw/zinc/80/28/30/1372802830.db2.gz DQQQMKPXXBGASI-UHFFFAOYSA-N 0 0 340.402 3.086 10 10 EGCERN COc1cccnc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001126864127 1373043167 /nfs/dbraw/zinc/04/31/67/1373043167.db2.gz PYSXVYFCZPIAPQ-UHFFFAOYSA-N 0 0 345.362 3.052 10 10 EGCERN C[C@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)c1ccc(N(C)C)cc1 ZINC001128246687 1373240847 /nfs/dbraw/zinc/24/08/47/1373240847.db2.gz IRKRWIMQZQDZGG-KGLIPLIRSA-N 0 0 326.444 3.022 10 10 EGCERN Cc1cc(CC(=O)NC[C@@H]2CC[C@H](C)O2)c(C)n1-c1ccccc1 ZINC001129518518 1373393238 /nfs/dbraw/zinc/39/32/38/1373393238.db2.gz ADMPBFVWQXTHML-KXBFYZLASA-N 0 0 326.440 3.320 10 10 EGCERN Cc1cnc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1C ZINC001129975510 1373442094 /nfs/dbraw/zinc/44/20/94/1373442094.db2.gz ZUROFKJYOYZIGV-MRXNPFEDSA-N 0 0 325.456 3.434 10 10 EGCERN O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2cc(F)c(F)cc21 ZINC001130408123 1373523527 /nfs/dbraw/zinc/52/35/27/1373523527.db2.gz RYYJFRYYMBTHQD-RQOWECAXSA-N 0 0 336.725 3.452 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)c2c(C)cc(C)nc2C)cc1 ZINC001130548362 1373558339 /nfs/dbraw/zinc/55/83/39/1373558339.db2.gz YQLJVCMMCWYKNE-UHFFFAOYSA-N 0 0 341.455 3.224 10 10 EGCERN COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)CF)CCCC1 ZINC001132117985 1375157050 /nfs/dbraw/zinc/15/70/50/1375157050.db2.gz OTELPIYAFITGOF-UHFFFAOYSA-N 0 0 332.419 3.393 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)NCCCOCc2ccccc2)cc1 ZINC001135739082 1377197898 /nfs/dbraw/zinc/19/78/98/1377197898.db2.gz STFZEOJWYVWMST-UHFFFAOYSA-N 0 0 340.383 3.186 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc(F)c1N ZINC001136025250 1377302842 /nfs/dbraw/zinc/30/28/42/1377302842.db2.gz CDIHGJUFXBEMDG-UHFFFAOYSA-N 0 0 327.403 3.280 10 10 EGCERN CCCN(Cc1ccc(F)cc1F)C(=O)Cc1ccc(O)c(O)c1 ZINC001136175375 1377360963 /nfs/dbraw/zinc/36/09/63/1377360963.db2.gz DEYMVVCWZWLEOX-UHFFFAOYSA-N 0 0 335.350 3.357 10 10 EGCERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001136235846 1377367230 /nfs/dbraw/zinc/36/72/30/1377367230.db2.gz DPKOEFUSBWLYHL-LLVKDONJSA-N 0 0 342.420 3.470 10 10 EGCERN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2nc[nH]c(=O)c21 ZINC001136312852 1377376268 /nfs/dbraw/zinc/37/62/68/1377376268.db2.gz VBXPEPRMASIRCH-UHFFFAOYSA-N 0 0 334.379 3.188 10 10 EGCERN CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001136705347 1377416314 /nfs/dbraw/zinc/41/63/14/1377416314.db2.gz JJPJDEDNVPEBKR-UEKDZROGSA-N 0 0 330.472 3.256 10 10 EGCERN Cc1cc(Cl)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1N ZINC001136972398 1377447792 /nfs/dbraw/zinc/44/77/92/1377447792.db2.gz LCPJNZLAPQMKHY-UHFFFAOYSA-N 0 0 345.830 3.336 10 10 EGCERN Cc1cc(C(=O)NC[C@H](O)C(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001137356108 1377532082 /nfs/dbraw/zinc/53/20/82/1377532082.db2.gz WYJKSWKLGQSVAP-IBGZPJMESA-N 0 0 328.456 3.458 10 10 EGCERN COc1ccc(CNC(=O)c2nc(Cl)sc2Cl)c(O)c1 ZINC001139032554 1377820429 /nfs/dbraw/zinc/82/04/29/1377820429.db2.gz NECQSIDQDWJXAM-UHFFFAOYSA-N 0 0 333.196 3.094 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)c1cc2ccccc2c(=O)[nH]1 ZINC001142728516 1378482667 /nfs/dbraw/zinc/48/26/67/1378482667.db2.gz WJGLVHINLUWQEA-UHFFFAOYSA-N 0 0 345.358 3.124 10 10 EGCERN CC[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)OC ZINC001143215614 1378562429 /nfs/dbraw/zinc/56/24/29/1378562429.db2.gz YLSONUGQXOOZDT-HNNXBMFYSA-N 0 0 328.412 3.023 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC001143753041 1378642360 /nfs/dbraw/zinc/64/23/60/1378642360.db2.gz KFSWWZYFKUBMJW-UHFFFAOYSA-N 0 0 349.390 3.342 10 10 EGCERN COC(=O)c1cc(C)cc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001146232525 1378799806 /nfs/dbraw/zinc/79/98/06/1378799806.db2.gz MXERHWHCGBRMDK-UHFFFAOYSA-N 0 0 333.771 3.071 10 10 EGCERN Cc1cc(C(=O)NC2([C@H](C)O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001148495393 1379188731 /nfs/dbraw/zinc/18/87/31/1379188731.db2.gz MJASPZUAHAPGFQ-INIZCTEOSA-N 0 0 326.440 3.354 10 10 EGCERN COc1ccc(N2CCN(C(=O)/C(F)=C(/C)C3CC3)CC2)cc1F ZINC001150240307 1379520437 /nfs/dbraw/zinc/52/04/37/1379520437.db2.gz NKQMIWQBCGUFKJ-SFQUDFHCSA-N 0 0 336.382 3.136 10 10 EGCERN Cc1cc(CCNC(=O)Cc2cncc(O)c2)c(C)n1-c1ccccc1 ZINC001150449246 1379553782 /nfs/dbraw/zinc/55/37/82/1379553782.db2.gz FFXVCFVHPGBNIV-UHFFFAOYSA-N 0 0 349.434 3.096 10 10 EGCERN CCc1nc(C(=O)N[C@H](C)c2ccccc2O)nn1-c1ccccc1 ZINC001151885667 1379810311 /nfs/dbraw/zinc/81/03/11/1379810311.db2.gz BGXREBBAOUWCCF-CYBMUJFWSA-N 0 0 336.395 3.026 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1cnc(Cc2ccccc2)s1 ZINC001153884977 1380149543 /nfs/dbraw/zinc/14/95/43/1380149543.db2.gz IDVHGDCIXLMLEV-UHFFFAOYSA-N 0 0 340.404 3.075 10 10 EGCERN Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2O)c(C)n1-c1ccc(F)cc1 ZINC001155646059 1380478440 /nfs/dbraw/zinc/47/84/40/1380478440.db2.gz WWXOHVSSWGQOFZ-QZTJIDSGSA-N 0 0 330.403 3.219 10 10 EGCERN COc1cc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n(C)n1 ZINC001156177896 1380537124 /nfs/dbraw/zinc/53/71/24/1380537124.db2.gz RIZGUAUFOOCDIO-UHFFFAOYSA-N 0 0 338.411 3.397 10 10 EGCERN Cn1ncc(C(=O)NCc2c(O)ccc3ccccc32)c1C(F)F ZINC001157042033 1380759015 /nfs/dbraw/zinc/75/90/15/1380759015.db2.gz UQUFTSNZVQTLMD-UHFFFAOYSA-N 0 0 331.322 3.147 10 10 EGCERN C[C@H]1CCc2nc(C(=O)NCc3c(O)ccc4ccccc43)cn2C1 ZINC001157051379 1380761862 /nfs/dbraw/zinc/76/18/62/1380761862.db2.gz UWLGQHPGXLOTJL-ZDUSSCGKSA-N 0 0 335.407 3.254 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCOC23CCCCC3)cc1 ZINC001158101167 1381127947 /nfs/dbraw/zinc/12/79/47/1381127947.db2.gz BTNUDJOINGSBAN-AWEZNQCLSA-N 0 0 330.388 3.071 10 10 EGCERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(Cl)c1O ZINC001159034191 1381527121 /nfs/dbraw/zinc/52/71/21/1381527121.db2.gz SBLFFBGUGAVWGB-UHFFFAOYSA-N 0 0 349.774 3.072 10 10 EGCERN CCC[C@H](CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)OC ZINC001159294260 1381754712 /nfs/dbraw/zinc/75/47/12/1381754712.db2.gz DTBACDRPJLQBIQ-QGZVFWFLSA-N 0 0 342.439 3.452 10 10 EGCERN CCC1(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)COC1 ZINC001160758961 1382188265 /nfs/dbraw/zinc/18/82/65/1382188265.db2.gz IQSKLWMDUDTNTK-UHFFFAOYSA-N 0 0 330.472 3.356 10 10 EGCERN Cc1ccc(C(C)(C)CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001294031535 1382409488 /nfs/dbraw/zinc/40/94/88/1382409488.db2.gz OVNQHEHSHKVUII-UHFFFAOYSA-N 0 0 327.424 3.385 10 10 EGCERN O=C(NCc1ccc(O)c(O)c1)c1ncc(C(F)(F)F)cc1Cl ZINC001294869403 1382517422 /nfs/dbraw/zinc/51/74/22/1382517422.db2.gz LNGRVQRGOWQHCX-UHFFFAOYSA-N 0 0 346.692 3.095 10 10 EGCERN O=C(NCc1ccc2cccnc2c1O)C1(c2cccc(F)c2)CC1 ZINC001162607003 1382806441 /nfs/dbraw/zinc/80/64/41/1382806441.db2.gz FAGGUGSWZQDUNT-UHFFFAOYSA-N 0 0 336.366 3.428 10 10 EGCERN CN(C)c1ccc(CNC(=O)c2cccc(N=S(C)(C)=O)c2)cc1 ZINC001328702471 1388813819 /nfs/dbraw/zinc/81/38/19/1388813819.db2.gz HWWDTRFGAFLQDZ-UHFFFAOYSA-N 0 0 345.468 3.042 10 10 EGCERN COC(=O)C1(CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC001296611157 1383038927 /nfs/dbraw/zinc/03/89/27/1383038927.db2.gz MKQWAFQTRNLEPQ-UHFFFAOYSA-N 0 0 340.423 3.086 10 10 EGCERN CCN1CC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001297010658 1383104770 /nfs/dbraw/zinc/10/47/70/1383104770.db2.gz RNQGWFDPGJCCIP-KDOFPFPSSA-N 0 0 349.906 3.287 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001297562698 1383185411 /nfs/dbraw/zinc/18/54/11/1383185411.db2.gz PDULSSRVVQWSSW-ZDUSSCGKSA-N 0 0 349.427 3.380 10 10 EGCERN COC(=O)[C@H](CCF)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001164506694 1383194525 /nfs/dbraw/zinc/19/45/25/1383194525.db2.gz DXJUZNLIMDJWDP-INIZCTEOSA-N 0 0 346.402 3.034 10 10 EGCERN Cc1cc(F)cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1N ZINC001299477528 1383539173 /nfs/dbraw/zinc/53/91/73/1383539173.db2.gz AVRADTBVDKAQPK-AWEZNQCLSA-N 0 0 343.446 3.452 10 10 EGCERN CCOC(=O)C(C)(C)ONC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001300023889 1383639716 /nfs/dbraw/zinc/63/97/16/1383639716.db2.gz BVWYSNPKMSWKLC-UHFFFAOYSA-N 0 0 344.411 3.097 10 10 EGCERN O=C(NCc1cc(Cl)ccc1O)C1=NO[C@H](c2ccccc2)C1 ZINC001300401885 1383663183 /nfs/dbraw/zinc/66/31/83/1383663183.db2.gz UHBFQHQJHLHBHA-INIZCTEOSA-N 0 0 330.771 3.179 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cc(O)cc(Br)c2)c1 ZINC001301046525 1383692242 /nfs/dbraw/zinc/69/22/42/1383692242.db2.gz FAJAHJFYSNQNAD-UHFFFAOYSA-N 0 0 336.185 3.099 10 10 EGCERN CCc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1-c1ccccn1 ZINC001302530471 1383756921 /nfs/dbraw/zinc/75/69/21/1383756921.db2.gz QRKWCHZSMMFVDO-CYBMUJFWSA-N 0 0 336.395 3.026 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1cc(-c2ccccc2Cl)on1 ZINC001303223293 1383788242 /nfs/dbraw/zinc/78/82/42/1383788242.db2.gz JAJJSPPJDPUTKG-UHFFFAOYSA-N 0 0 344.754 3.336 10 10 EGCERN C[C@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307076398 1383936733 /nfs/dbraw/zinc/93/67/33/1383936733.db2.gz CAZPOKPWKXWDOP-STQMWFEESA-N 0 0 328.368 3.397 10 10 EGCERN Cc1ccc(O)c(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 ZINC001307169168 1383949621 /nfs/dbraw/zinc/94/96/21/1383949621.db2.gz IUFXKSJDBCWEFX-UHFFFAOYSA-N 0 0 327.340 3.106 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC001313149089 1384399629 /nfs/dbraw/zinc/39/96/29/1384399629.db2.gz LYZQAHLOBQMGBM-RLFYNMQTSA-N 0 0 333.476 3.240 10 10 EGCERN C[C@H](NC(=O)c1cc(F)cc2[nH]c(=S)[nH]c21)c1ccccc1O ZINC001171729786 1384616098 /nfs/dbraw/zinc/61/60/98/1384616098.db2.gz HUYNWNMABCSLTL-QMMMGPOBSA-N 0 0 331.372 3.187 10 10 EGCERN O=C(NCc1cc(O)ccc1O)c1ccnc(Oc2ccccc2)c1 ZINC001176748108 1385681270 /nfs/dbraw/zinc/68/12/70/1385681270.db2.gz KBJGLAXWCPCCHB-UHFFFAOYSA-N 0 0 336.347 3.215 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1ccn(-c2ccccc2)n1 ZINC001180409551 1386787350 /nfs/dbraw/zinc/78/73/50/1386787350.db2.gz BIWPTUAYJUSTMP-UHFFFAOYSA-N 0 0 327.771 3.161 10 10 EGCERN C[C@H](NC(=O)NCCCOCc1ccccc1)c1ccccc1O ZINC001329552008 1389154190 /nfs/dbraw/zinc/15/41/90/1389154190.db2.gz MYSHJEPLIAWLGY-HNNXBMFYSA-N 0 0 328.412 3.359 10 10 EGCERN CCOC(=O)c1c(C)onc1CN1CCCc2cc(OC)ccc21 ZINC001329941403 1389269773 /nfs/dbraw/zinc/26/97/73/1389269773.db2.gz DSBPMUXQTQUGGK-UHFFFAOYSA-N 0 0 330.384 3.121 10 10 EGCERN CN(C)c1ccc(/C=C/C[NH2+]C[C@H](CC(=O)[O-])C(F)(F)F)cc1 ZINC001339241162 1389955273 /nfs/dbraw/zinc/95/52/73/1389955273.db2.gz OLVGPXLGIRVFAP-OOPCZODUSA-N 0 0 330.350 3.009 10 10 EGCERN O=C(NCC1(O)CCCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001333737041 1390388399 /nfs/dbraw/zinc/38/83/99/1390388399.db2.gz XQPIJPAULZEANP-UHFFFAOYSA-N 0 0 335.425 3.128 10 10 EGCERN Oc1ccccc1CN(Cc1cn(CC2CC2)nn1)Cc1ccco1 ZINC001344125048 1390757379 /nfs/dbraw/zinc/75/73/79/1390757379.db2.gz QQPMBIGNJHNFRK-UHFFFAOYSA-N 0 0 338.411 3.189 10 10 EGCERN COc1cccc(CNC(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)c1O ZINC001349743341 1391361677 /nfs/dbraw/zinc/36/16/77/1391361677.db2.gz HNJLVUGJILYJEU-SJORKVTESA-N 0 0 340.423 3.079 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001350777031 1391529422 /nfs/dbraw/zinc/52/94/22/1391529422.db2.gz TUPSTRJGYQILAV-HXUWFJFHSA-N 0 0 346.471 3.127 10 10 EGCERN CN(C)c1ccc(CNC(=O)[C@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001350777030 1391529505 /nfs/dbraw/zinc/52/95/05/1391529505.db2.gz TUPSTRJGYQILAV-FQEVSTJZSA-N 0 0 346.471 3.127 10 10 EGCERN CCOC(=O)c1c(NC(=O)CO)sc(C)c1-c1ccc(C)cc1 ZINC001350799094 1391533876 /nfs/dbraw/zinc/53/38/76/1391533876.db2.gz ONYJHTGSCMGJSW-UHFFFAOYSA-N 0 0 333.409 3.139 10 10 EGCERN CC(C)(C)c1ncc(/C=C\C(=O)NCc2cccc(O)c2O)s1 ZINC001352658584 1391829894 /nfs/dbraw/zinc/82/98/94/1391829894.db2.gz WDDSENWUNGWACG-FPLPWBNLSA-N 0 0 332.425 3.181 10 10 EGCERN COC(=O)CCN(C(=O)/C=C/c1cccnc1C)c1cccc(F)c1 ZINC001354309430 1392137241 /nfs/dbraw/zinc/13/72/41/1392137241.db2.gz XSZUPBRURTXVPO-CMDGGOBGSA-N 0 0 342.370 3.139 10 10 EGCERN CN(C)c1ccc(CN(C(=O)NC[C@]2(C)CCCCO2)C2CC2)cc1 ZINC001479466458 1392249749 /nfs/dbraw/zinc/24/97/49/1392249749.db2.gz ZXKRZIJYQBDATH-FQEVSTJZSA-N 0 0 345.487 3.386 10 10 EGCERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1[C@@H]1C[C@H]1C ZINC001726354554 1427048014 /nfs/dbraw/zinc/04/80/14/1427048014.db2.gz JZXJYLBCKKMUIB-RDTXWAMCSA-N 0 0 325.460 3.404 10 10 EGCERN COC[C@H](C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001730441636 1427178807 /nfs/dbraw/zinc/17/88/07/1427178807.db2.gz FHSSOWSALROGBM-CQSZACIVSA-N 0 0 332.448 3.026 10 10 EGCERN CSC1(Cn2c(C3CC3)nnc2N(C)Cc2ccccc2O)CC1 ZINC001731064090 1427187896 /nfs/dbraw/zinc/18/78/96/1427187896.db2.gz MOMKKGGGGDIDQQ-UHFFFAOYSA-N 0 0 344.484 3.393 10 10 EGCERN Cc1nnc(N2CC[C@@H](C3CC3)C2)n1Cc1ccc(N(C)C)cc1C ZINC001742139758 1439508850 /nfs/dbraw/zinc/50/88/50/1439508850.db2.gz UEQKDZCDCIPOPA-GOSISDBHSA-N 0 0 339.487 3.246 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CCC(C)(C)O ZINC001768682541 1441408209 /nfs/dbraw/zinc/40/82/09/1441408209.db2.gz XVXMTLRGIFQSJD-UHFFFAOYSA-N 0 0 346.475 3.079 10 10 EGCERN COC1CCN(C(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000056294506 214368637 /nfs/dbraw/zinc/36/86/37/214368637.db2.gz JCYFYQYWHILLBO-UHFFFAOYSA-N 0 0 330.403 3.484 10 10 EGCERN Cc1cc(CNC(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC000021881180 212258729 /nfs/dbraw/zinc/25/87/29/212258729.db2.gz PLJGQVKTWVSSCK-SFHVURJKSA-N 0 0 345.418 3.211 10 10 EGCERN O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)Nc1ccccc1Cl ZINC000028225647 283914373 /nfs/dbraw/zinc/91/43/73/283914373.db2.gz GQCMWSDMMYFHGL-UHFFFAOYSA-N 0 0 328.759 3.212 10 10 EGCERN CCC(=O)N1N=C(c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1c1cccs1 ZINC000328598551 258042112 /nfs/dbraw/zinc/04/21/12/258042112.db2.gz MZGPMJXZANXHRS-CYBMUJFWSA-N 0 0 345.380 3.450 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000293841928 455797651 /nfs/dbraw/zinc/79/76/51/455797651.db2.gz HEJBEYWHIJYUNH-NSHDSACASA-N 0 0 330.190 3.482 10 10 EGCERN Cc1nc([C@H](NCc2cc(F)ccc2O)c2ccccc2F)no1 ZINC000180762543 455240963 /nfs/dbraw/zinc/24/09/63/455240963.db2.gz DSDFZHYBRFSXHL-MRXNPFEDSA-N 0 0 331.322 3.241 10 10 EGCERN CN(C)c1cccc2c1C(=O)c1c(O)c3ccccc3c(O)c1C2=O ZINC000005423034 452871355 /nfs/dbraw/zinc/87/13/55/452871355.db2.gz NKDNNGOGUCUKEI-UHFFFAOYSA-N 0 0 333.343 3.092 10 10 EGCERN COc1ccc(C(=O)c2ccc([O-])c(C[NH3+])c2)c(Cl)c1Cl ZINC000029341419 453828501 /nfs/dbraw/zinc/82/85/01/453828501.db2.gz ZGTYWXSBRIBLNH-UHFFFAOYSA-N 0 0 326.179 3.397 10 10 EGCERN Cc1cc(CN(Cc2cc(C)on2)c2ccc3c(c2)CCO3)no1 ZINC000031466301 453847703 /nfs/dbraw/zinc/84/77/03/453847703.db2.gz NXMOZZFRGLDRGE-UHFFFAOYSA-N 0 0 325.368 3.421 10 10 EGCERN CN(C)c1ccc(CNC(=O)N(C)CCc2ccc(F)cc2)cc1 ZINC000056502502 454062637 /nfs/dbraw/zinc/06/26/37/454062637.db2.gz IMMGCSLWSZQZFO-UHFFFAOYSA-N 0 0 329.419 3.276 10 10 EGCERN Cc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)CC2CC2)cn1 ZINC000069807861 454146622 /nfs/dbraw/zinc/14/66/22/454146622.db2.gz RTTXNSWPRRGCAN-UHFFFAOYSA-N 0 0 337.467 3.437 10 10 EGCERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000104853230 454608287 /nfs/dbraw/zinc/60/82/87/454608287.db2.gz LYBZXVNRYHYLGI-AWEZNQCLSA-N 0 0 336.432 3.044 10 10 EGCERN c1cc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)cs1 ZINC000093768337 454734350 /nfs/dbraw/zinc/73/43/50/454734350.db2.gz XEFMUIJXCONEDX-IBGZPJMESA-N 0 0 344.480 3.158 10 10 EGCERN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000191211341 455464885 /nfs/dbraw/zinc/46/48/85/455464885.db2.gz FKWXUJJBPGBFSR-NSHDSACASA-N 0 0 344.365 3.410 10 10 EGCERN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000177677333 454891180 /nfs/dbraw/zinc/89/11/80/454891180.db2.gz JGBTWIVBCNWKJE-OAHLLOKOSA-N 0 0 341.407 3.262 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccsc3)C2)c1O ZINC000126458773 454895915 /nfs/dbraw/zinc/89/59/15/454895915.db2.gz QEBZULXCKBVMGR-INIZCTEOSA-N 0 0 335.400 3.369 10 10 EGCERN Cc1cc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c(C)n1-c1ccccc1 ZINC000114153905 454945735 /nfs/dbraw/zinc/94/57/35/454945735.db2.gz QSQDACOFPBPCDU-MRXNPFEDSA-N 0 0 334.423 3.105 10 10 EGCERN Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000127508597 454971270 /nfs/dbraw/zinc/97/12/70/454971270.db2.gz GCRZTZVWCPXVLW-RHSMWYFYSA-N 0 0 340.471 3.044 10 10 EGCERN Cc1noc(C)c1CN1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179759941 455074885 /nfs/dbraw/zinc/07/48/85/455074885.db2.gz JKAVVJPDBYPIQK-UHFFFAOYSA-N 0 0 349.862 3.277 10 10 EGCERN Cc1nc(CN2CCN(Cc3cc(Cl)cc(C)c3O)CC2)oc1C ZINC000180043800 455121837 /nfs/dbraw/zinc/12/18/37/455121837.db2.gz SOEMNQIUQPVWRT-UHFFFAOYSA-N 0 0 349.862 3.277 10 10 EGCERN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1C[C@@H]1C ZINC000266743645 455446148 /nfs/dbraw/zinc/44/61/48/455446148.db2.gz MWGONOZJUYVYGY-QWRGUYRKSA-N 0 0 341.249 3.342 10 10 EGCERN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](c2ccc(F)cc2)O1 ZINC000246811255 455526611 /nfs/dbraw/zinc/52/66/11/455526611.db2.gz BSOOYXFKCRQALF-BLVKFPJESA-N 0 0 345.370 3.222 10 10 EGCERN COc1ccc(O)c([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000185324446 455540562 /nfs/dbraw/zinc/54/05/62/455540562.db2.gz WYNRMQVZSBUJLS-SGTLLEGYSA-N 0 0 338.411 3.268 10 10 EGCERN COc1cc(Cl)cc(CNc2cccc3c2OCC[C@@H]3O)c1O ZINC000185578444 455580550 /nfs/dbraw/zinc/58/05/50/455580550.db2.gz VCJPYGXQOPPIJM-AWEZNQCLSA-N 0 0 335.787 3.482 10 10 EGCERN Cc1scc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000271344569 455605114 /nfs/dbraw/zinc/60/51/14/455605114.db2.gz DFMLJQJNMKTQQW-UHFFFAOYSA-N 0 0 330.453 3.132 10 10 EGCERN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](c2ccccc2)CO1 ZINC000247504078 455614440 /nfs/dbraw/zinc/61/44/40/455614440.db2.gz XSNAIEWSBTXUQT-CZUORRHYSA-N 0 0 327.380 3.083 10 10 EGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000186439673 455769476 /nfs/dbraw/zinc/76/94/76/455769476.db2.gz BGODIXXQKCDJEX-LERXQTSPSA-N 0 0 347.361 3.227 10 10 EGCERN CC(C)CC(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294469759 455817307 /nfs/dbraw/zinc/81/73/07/455817307.db2.gz ZJRZFGXNBPLDQI-UHFFFAOYSA-N 0 0 342.842 3.311 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000294795510 455827071 /nfs/dbraw/zinc/82/70/71/455827071.db2.gz VOKDXSNKTAVBTG-AMIZOPFISA-N 0 0 341.732 3.320 10 10 EGCERN CC1(CCCC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)OCCO1 ZINC000278567838 455840343 /nfs/dbraw/zinc/84/03/43/455840343.db2.gz IYAMLOUJNSAXSU-SFHVURJKSA-N 0 0 349.471 3.307 10 10 EGCERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000295469359 455850007 /nfs/dbraw/zinc/85/00/07/455850007.db2.gz WMAVLILMLJWSAG-UHFFFAOYSA-N 0 0 341.839 3.354 10 10 EGCERN CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1[O-] ZINC000285494278 455856565 /nfs/dbraw/zinc/85/65/65/455856565.db2.gz CFMWDKZBGLKVOK-GDBMZVCRSA-N 0 0 330.407 3.031 10 10 EGCERN CC1(C)CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000279113311 455858357 /nfs/dbraw/zinc/85/83/57/455858357.db2.gz XCXZBSNVXSOSOZ-GOSISDBHSA-N 0 0 330.472 3.356 10 10 EGCERN Cc1nc(Cl)ccc1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000270838542 456050483 /nfs/dbraw/zinc/05/04/83/456050483.db2.gz UQAZKMKXCQKXTI-UHFFFAOYSA-N 0 0 344.842 3.487 10 10 EGCERN CCOc1cccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1O ZINC000188474877 456069971 /nfs/dbraw/zinc/06/99/71/456069971.db2.gz WGRYQKJTTHFDSS-ZDUSSCGKSA-N 0 0 330.432 3.083 10 10 EGCERN CN(Cc1ccccc1O)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000297141954 456130865 /nfs/dbraw/zinc/13/08/65/456130865.db2.gz ZKCMXTQRQJRINR-NSHDSACASA-N 0 0 345.346 3.294 10 10 EGCERN COC(=O)c1cc(NCc2ccc(N(C)C)cc2)cc(C)c1[N+](=O)[O-] ZINC000301566656 456149621 /nfs/dbraw/zinc/14/96/21/456149621.db2.gz MHGNLVZJZNNNSZ-UHFFFAOYSA-N 0 0 343.383 3.368 10 10 EGCERN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1[O-] ZINC000271193343 456164886 /nfs/dbraw/zinc/16/48/86/456164886.db2.gz NNGQBTBYOKQZER-UHFFFAOYSA-N 0 0 336.779 3.057 10 10 EGCERN CC(C)(C)OC(=O)Nc1ccncc1C(=O)NCc1ccccc1O ZINC000276005300 456368608 /nfs/dbraw/zinc/36/86/08/456368608.db2.gz SLMZCPHSPJPISM-UHFFFAOYSA-N 0 0 343.383 3.064 10 10 EGCERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000277359656 456795191 /nfs/dbraw/zinc/79/51/91/456795191.db2.gz FELBQPFOGISVAQ-IUODEOHRSA-N 0 0 338.423 3.266 10 10 EGCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H]3c3cccs3)cc2N1 ZINC000361809821 457877995 /nfs/dbraw/zinc/87/79/95/457877995.db2.gz ABCVRMWGNDDCPT-LLVKDONJSA-N 0 0 345.380 3.329 10 10 EGCERN CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(Cl)c1[O-] ZINC000367547749 457963202 /nfs/dbraw/zinc/96/32/02/457963202.db2.gz ACEHNXOPEAVWRP-CXAGYDPISA-N 0 0 348.878 3.489 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)ccc21 ZINC000428099211 458080224 /nfs/dbraw/zinc/08/02/24/458080224.db2.gz LVEMQZBIBCLUTL-HGKCTWBKSA-N 0 0 326.440 3.433 10 10 EGCERN CC[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(F)cc1[O-] ZINC000527998833 459791367 /nfs/dbraw/zinc/79/13/67/459791367.db2.gz COOBYEPTYQKPEW-IAGOWNOFSA-N 0 0 328.387 3.399 10 10 EGCERN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(C)(F)F)C1 ZINC000647261680 461597261 /nfs/dbraw/zinc/59/72/61/461597261.db2.gz CYGYRWQIRJGJJA-UHFFFAOYSA-N 0 0 349.425 3.179 10 10 EGCERN COc1cccc(CNC(=O)Nc2nc(C(F)(F)F)cs2)c1O ZINC000727839735 574694110 /nfs/dbraw/zinc/69/41/10/574694110.db2.gz BKVMUZBTEWLISF-UHFFFAOYSA-N 0 0 347.318 3.198 10 10 EGCERN CCc1ccc(N(CC)C(=O)/C=C\c2cncc(C(=O)NC)c2)cc1 ZINC000731968243 575227701 /nfs/dbraw/zinc/22/77/01/575227701.db2.gz PNJKBNOKRDMCGN-FLIBITNWSA-N 0 0 337.423 3.070 10 10 EGCERN CCCN(CC(F)F)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000733188859 575318753 /nfs/dbraw/zinc/31/87/53/575318753.db2.gz OZKYKMJMUIYMHQ-ALCCZGGFSA-N 0 0 328.315 3.263 10 10 EGCERN Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c(C)s1 ZINC000734501447 575502513 /nfs/dbraw/zinc/50/25/13/575502513.db2.gz XSIGJSQDURUPKG-UHFFFAOYSA-N 0 0 338.498 3.218 10 10 EGCERN C[C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)n1cccc1 ZINC000735519381 575677934 /nfs/dbraw/zinc/67/79/34/575677934.db2.gz QUGYJASXAKTEJI-AEFFLSMTSA-N 0 0 342.439 3.353 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCc2ccccc2C1 ZINC000741081939 576653749 /nfs/dbraw/zinc/65/37/49/576653749.db2.gz AWQZIJLNSCHZCC-FQEVSTJZSA-N 0 0 347.462 3.420 10 10 EGCERN Cc1c(C(=O)N2Cc3cccc(O)c3C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000871198621 1296268534 /nfs/dbraw/zinc/26/85/34/1296268534.db2.gz KVQJUMGOBMPYKO-UHFFFAOYSA-N 0 0 338.407 3.340 10 10 EGCERN O=C(Cc1cc(Cl)cc2c1OCC2)N1Cc2cccc(O)c2C1 ZINC000871205039 1296270872 /nfs/dbraw/zinc/27/08/72/1296270872.db2.gz UDTKXHCIVGQFBO-UHFFFAOYSA-N 0 0 329.783 3.065 10 10 EGCERN CSc1ccc(O[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871203387 1296271316 /nfs/dbraw/zinc/27/13/16/1296271316.db2.gz ZNMVQMRUVBTUNC-LBPRGKRZSA-N 0 0 329.421 3.424 10 10 EGCERN COC(=O)c1ccc(NC(=S)Nc2cccc(N(C)C)c2)cc1 ZINC000243807106 1296294279 /nfs/dbraw/zinc/29/42/79/1296294279.db2.gz QOGIFNNMPJGVEP-UHFFFAOYSA-N 0 0 329.425 3.348 10 10 EGCERN Cc1c(C)n(C)c2ccc(OCc3cn(C[C@H]4CCOC4)nn3)cc12 ZINC000871757339 1296521787 /nfs/dbraw/zinc/52/17/87/1296521787.db2.gz XWBKMYFGHUSRAM-OAHLLOKOSA-N 0 0 340.427 3.002 10 10 EGCERN COC(=O)c1cccc2c1CCCN2C(=O)/C=C\c1cncc(C)c1 ZINC000255753710 1296565860 /nfs/dbraw/zinc/56/58/60/1296565860.db2.gz IIVKQRMYBGXHNY-HJWRWDBZSA-N 0 0 336.391 3.169 10 10 EGCERN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000708076626 1298232648 /nfs/dbraw/zinc/23/26/48/1298232648.db2.gz YDKSGAJGWCYPEJ-KOLCDFICSA-N 0 0 346.652 3.276 10 10 EGCERN CC[N@H+](Cc1cc(Br)cc(F)c1[O-])C1CCOCC1 ZINC000715784524 1298289017 /nfs/dbraw/zinc/28/90/17/1298289017.db2.gz JCDUWEHBIDFVQI-UHFFFAOYSA-N 0 0 332.213 3.295 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886297298 1303425421 /nfs/dbraw/zinc/42/54/21/1303425421.db2.gz NCCMHCHGPVQUIQ-HNNXBMFYSA-N 0 0 341.398 3.126 10 10 EGCERN COc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(Cl)c2O)cc1 ZINC000890760852 1304872626 /nfs/dbraw/zinc/87/26/26/1304872626.db2.gz BCMQBJBMYZPCPK-LSDHHAIUSA-N 0 0 331.799 3.474 10 10 EGCERN C[C@H](NC(=O)NC[C@]12C[C@H]1COC21CCC1)c1ccc(N(C)C)cc1 ZINC000894288068 1306322160 /nfs/dbraw/zinc/32/21/60/1306322160.db2.gz ZXANPGPEHIJIMS-URLQWDBASA-N 0 0 343.471 3.072 10 10 EGCERN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])CC1(CO)CC1 ZINC000894532138 1308942016 /nfs/dbraw/zinc/94/20/16/1308942016.db2.gz ANEJJLDECHCDDX-UHFFFAOYSA-N 0 0 334.641 3.012 10 10 EGCERN COc1ccc(N2CCCN(C(=O)c3ccn4ccccc34)CC2)cc1 ZINC000895809295 1309530800 /nfs/dbraw/zinc/53/08/00/1309530800.db2.gz HXTJBGOOGKZMBD-UHFFFAOYSA-N 0 0 349.434 3.300 10 10 EGCERN CC(C)Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n(C)n1 ZINC000895995785 1309637342 /nfs/dbraw/zinc/63/73/42/1309637342.db2.gz ZMWFOTRHBNEWNS-UHFFFAOYSA-N 0 0 345.424 3.497 10 10 EGCERN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCC3(CCC3)CO2)c1 ZINC000896162713 1309725073 /nfs/dbraw/zinc/72/50/73/1309725073.db2.gz GUCWKTLCFJLWPH-UKRRQHHQSA-N 0 0 333.428 3.317 10 10 EGCERN CCc1noc(CC)c1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896941604 1310095809 /nfs/dbraw/zinc/09/58/09/1310095809.db2.gz QNQIAKCAYNABOV-UHFFFAOYSA-N 0 0 346.408 3.355 10 10 EGCERN CC(C)[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897303292 1310280588 /nfs/dbraw/zinc/28/05/88/1310280588.db2.gz JGBGULHDLAFMRZ-RISCZKNCSA-N 0 0 335.425 3.246 10 10 EGCERN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1[C@@H]1CCCO1 ZINC000897791757 1310469253 /nfs/dbraw/zinc/46/92/53/1310469253.db2.gz WHAWXPHMSHMCDJ-BBRMVZONSA-N 0 0 347.436 3.342 10 10 EGCERN O=C(NCCCC1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897870467 1310500815 /nfs/dbraw/zinc/50/08/15/1310500815.db2.gz RAYULPJNXSUJOO-UHFFFAOYSA-N 0 0 335.425 3.249 10 10 EGCERN C[C@H]1COC2(CCCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898977516 1310896284 /nfs/dbraw/zinc/89/62/84/1310896284.db2.gz JKYIFPVLMBIAJM-NSHDSACASA-N 0 0 347.436 3.486 10 10 EGCERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCOC1 ZINC000899222801 1310985524 /nfs/dbraw/zinc/98/55/24/1310985524.db2.gz NTNNUORQDYVURJ-CMPLNLGQSA-N 0 0 335.425 3.248 10 10 EGCERN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000929527044 1328626905 /nfs/dbraw/zinc/62/69/05/1328626905.db2.gz BGTXWNIPQBQAND-GJZGRUSLSA-N 0 0 344.377 3.211 10 10 EGCERN CN(C)c1cc(F)c(CNc2cccc([C@H]3CNC(=O)C3)c2)cc1F ZINC000858152781 1328696969 /nfs/dbraw/zinc/69/69/69/1328696969.db2.gz CNUALCWPOYYNIU-CYBMUJFWSA-N 0 0 345.393 3.246 10 10 EGCERN COc1ccc(N2CCN([C@@H](C)c3ccc(F)nc3)CC2)cc1F ZINC000929824599 1328711909 /nfs/dbraw/zinc/71/19/09/1328711909.db2.gz XFTVNWSFOZYTLS-ZDUSSCGKSA-N 0 0 333.382 3.252 10 10 EGCERN Cc1nnc(CCN2CCCc3cc(OC(F)(F)F)ccc32)o1 ZINC000929876270 1328728040 /nfs/dbraw/zinc/72/80/40/1328728040.db2.gz CUTRTSWKJZNXNI-UHFFFAOYSA-N 0 0 327.306 3.272 10 10 EGCERN CC[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000858435398 1328762081 /nfs/dbraw/zinc/76/20/81/1328762081.db2.gz HJOCPSFPLXJKPR-OLZOCXBDSA-N 0 0 344.242 3.207 10 10 EGCERN COc1ccc(N(Cc2ccco2)C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1F ZINC000929990081 1328758483 /nfs/dbraw/zinc/75/84/83/1328758483.db2.gz BHWUPVVFWIKQCF-AZOIQLNYSA-N 0 0 347.386 3.238 10 10 EGCERN COCCN(C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(OC)c(OC)c1 ZINC000929996543 1328760430 /nfs/dbraw/zinc/76/04/30/1328760430.db2.gz UWBWPZQOIIARKY-YOWGUQMCSA-N 0 0 341.398 3.448 10 10 EGCERN Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000858578686 1328798125 /nfs/dbraw/zinc/79/81/25/1328798125.db2.gz XNMOEBGANHVNQZ-DZGCQCFKSA-N 0 0 348.443 3.010 10 10 EGCERN CC[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccc(OC)cc1 ZINC000913909769 1319173117 /nfs/dbraw/zinc/17/31/17/1319173117.db2.gz KGOUMZKNUQXVJW-MRXNPFEDSA-N 0 0 332.375 3.490 10 10 EGCERN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@]12C[C@H]1CCC2 ZINC000914200181 1319263750 /nfs/dbraw/zinc/26/37/50/1319263750.db2.gz BGUIWIUVEPLROQ-APWZRJJASA-N 0 0 345.512 3.229 10 10 EGCERN Cc1cc(CNC(=O)N2CC[C@@H](O)C2(C)C)c(C)n1-c1ccccc1 ZINC000858906604 1328887585 /nfs/dbraw/zinc/88/75/85/1328887585.db2.gz OKFJFCNTYCCVCR-GOSISDBHSA-N 0 0 341.455 3.149 10 10 EGCERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000921823480 1322405883 /nfs/dbraw/zinc/40/58/83/1322405883.db2.gz DNSWVVPPLHIWAR-OAHLLOKOSA-N 0 0 348.349 3.384 10 10 EGCERN COCCCOc1ccccc1NCc1nc(Br)c[nH]1 ZINC000921879936 1322417399 /nfs/dbraw/zinc/41/73/99/1322417399.db2.gz GBHWMZSRPNXZRQ-UHFFFAOYSA-N 0 0 340.221 3.200 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922673862 1322585241 /nfs/dbraw/zinc/58/52/41/1322585241.db2.gz VENWVEKIIYQMOA-PWSUYJOCSA-N 0 0 325.277 3.260 10 10 EGCERN O=C(COC(=O)c1cccc(O)c1O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000859641670 1329042928 /nfs/dbraw/zinc/04/29/28/1329042928.db2.gz AKJKDDNWHYEZLG-ZJUUUORDSA-N 0 0 346.301 3.192 10 10 EGCERN COc1ccc2c(c1)CC[C@@H]2C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000860240712 1329181677 /nfs/dbraw/zinc/18/16/77/1329181677.db2.gz CMMPPFNVOGEFKH-SJCJKPOMSA-N 0 0 341.407 3.317 10 10 EGCERN C[C@H](NC(=O)N[C@H]1c2ccccc2OC[C@@H]1F)c1ccccc1O ZINC000925133812 1325058638 /nfs/dbraw/zinc/05/86/38/1325058638.db2.gz DUHDZDRMNAROQQ-YLVFBTJISA-N 0 0 330.359 3.224 10 10 EGCERN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(OC)c(C)c2)c(O)c1 ZINC000926267468 1325497395 /nfs/dbraw/zinc/49/73/95/1325497395.db2.gz XWCVQXLEALZYGR-ZDUSSCGKSA-N 0 0 344.411 3.278 10 10 EGCERN CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000927131742 1327883638 /nfs/dbraw/zinc/88/36/38/1327883638.db2.gz QPNPDMKAARWPLW-DGCLKSJQSA-N 0 0 344.242 3.207 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc(OC2CCOCC2)cc1 ZINC000928705863 1328403522 /nfs/dbraw/zinc/40/35/22/1328403522.db2.gz OILGEMUTHUHXHQ-UHFFFAOYSA-N 0 0 345.370 3.019 10 10 EGCERN CC(C)(COCc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC000928709222 1328405153 /nfs/dbraw/zinc/40/51/53/1328405153.db2.gz ZCDFCFAQKXINTA-UHFFFAOYSA-N 0 0 331.387 3.391 10 10 EGCERN O=C(NCc1c(O)cccc1F)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000928710550 1328406024 /nfs/dbraw/zinc/40/60/24/1328406024.db2.gz UTIULUGBCRRRBV-OAHLLOKOSA-N 0 0 345.370 3.019 10 10 EGCERN COCc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1OC ZINC000861634203 1329433505 /nfs/dbraw/zinc/43/35/05/1329433505.db2.gz ZUETXSCWQLVMLF-UHFFFAOYSA-N 0 0 330.384 3.211 10 10 EGCERN Cc1nc(C)c(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 ZINC000862272836 1329472886 /nfs/dbraw/zinc/47/28/86/1329472886.db2.gz UHXGOOSWQYNDHW-CHWSQXEVSA-N 0 0 347.434 3.334 10 10 EGCERN COc1ccc(N(C)Cc2cn(C)nc2Br)cc1Cl ZINC000862307574 1329475079 /nfs/dbraw/zinc/47/50/79/1329475079.db2.gz YNDBJCCXJAJIPC-UHFFFAOYSA-N 0 0 344.640 3.481 10 10 EGCERN Cc1ccc(CN(CCO)Cc2c(O)cccc2Br)o1 ZINC000862350903 1329477002 /nfs/dbraw/zinc/47/70/02/1329477002.db2.gz IUJHNKAWKQFXIA-UHFFFAOYSA-N 0 0 340.217 3.051 10 10 EGCERN Cc1cc(C(=O)NCC[C@H]2CCCOC2)c(C)n1-c1ccccn1 ZINC000862389792 1329481716 /nfs/dbraw/zinc/48/17/16/1329481716.db2.gz WIOKDIAXNWSKOC-MRXNPFEDSA-N 0 0 327.428 3.036 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2ccc(OCC(F)(F)F)o2)c1 ZINC000862755677 1329506834 /nfs/dbraw/zinc/50/68/34/1329506834.db2.gz WDOBRFBKRZZIPQ-UHFFFAOYSA-N 0 0 329.274 3.165 10 10 EGCERN Cc1cc(CC(=O)Nc2cnn(CCF)c2)c(C)n1-c1ccccc1 ZINC000862811886 1329512613 /nfs/dbraw/zinc/51/26/13/1329512613.db2.gz ZUCDZODRRLIALZ-UHFFFAOYSA-N 0 0 340.402 3.441 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CCCC12CC2 ZINC000863536609 1329561482 /nfs/dbraw/zinc/56/14/82/1329561482.db2.gz MWBOSUYLFLNGDB-CYBMUJFWSA-N 0 0 348.830 3.390 10 10 EGCERN Cc1cc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(C)n1-c1ccc(F)cc1 ZINC000863731680 1329578432 /nfs/dbraw/zinc/57/84/32/1329578432.db2.gz XXDMYGGAEOHJRK-GDIGMMSISA-N 0 0 342.414 3.219 10 10 EGCERN CCOC1CC2(C[C@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000864786853 1329642667 /nfs/dbraw/zinc/64/26/67/1329642667.db2.gz ZXOVIOMTOOCYMM-SCCNAQOGSA-N 0 0 342.483 3.449 10 10 EGCERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000864918879 1329651638 /nfs/dbraw/zinc/65/16/38/1329651638.db2.gz MWQYXYHGMTXKHN-XFKAJCMBSA-N 0 0 330.497 3.148 10 10 EGCERN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)CC2)cc1 ZINC000864949199 1329654764 /nfs/dbraw/zinc/65/47/64/1329654764.db2.gz GZMAWFBKHRXEMQ-ZWQIFLOQSA-N 0 0 328.456 3.026 10 10 EGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1conc1C1CCCC1 ZINC000866206379 1330078706 /nfs/dbraw/zinc/07/87/06/1330078706.db2.gz KPWGNCIBMRHSHC-UHFFFAOYSA-N 0 0 341.411 3.437 10 10 EGCERN C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])c1ccnn1C ZINC000866613377 1330133477 /nfs/dbraw/zinc/13/34/77/1330133477.db2.gz HSMMGWZVTCYSSY-RKDXNWHRSA-N 0 0 342.212 3.439 10 10 EGCERN C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Br)cc(F)c1[O-] ZINC000866615544 1330133485 /nfs/dbraw/zinc/13/34/85/1330133485.db2.gz VITAWABOHVRQEY-BDAKNGLRSA-N 0 0 342.212 3.439 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H](C)CC(=O)c2ccc(F)cc2)c1 ZINC000866767089 1330147662 /nfs/dbraw/zinc/14/76/62/1330147662.db2.gz JCUYYYKVWNJMQI-GFCCVEGCSA-N 0 0 345.370 3.065 10 10 EGCERN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)Oc1cccc(F)c1 ZINC000868317715 1330270073 /nfs/dbraw/zinc/27/00/73/1330270073.db2.gz PQCVKRODVFGELP-OLZOCXBDSA-N 0 0 332.375 3.359 10 10 EGCERN COc1ccc(O[C@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000868321805 1330270578 /nfs/dbraw/zinc/27/05/78/1330270578.db2.gz SLUVWEQUKHBAOH-KGLIPLIRSA-N 0 0 344.411 3.229 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H]2C(F)F)cc1 ZINC000868609753 1330299628 /nfs/dbraw/zinc/29/96/28/1330299628.db2.gz OPJRLGVXAYHTRF-KRWDZBQOSA-N 0 0 346.377 3.315 10 10 EGCERN CCOC1CC2(C[C@H]2C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000868890352 1330368188 /nfs/dbraw/zinc/36/81/88/1330368188.db2.gz RKNWXZMPAPYGIG-PJABQADQSA-N 0 0 344.499 3.313 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)[C@@H](CC)CC(F)F)CC2)cc1 ZINC001325445089 1387973656 /nfs/dbraw/zinc/97/36/56/1387973656.db2.gz GZZAEWWQALGGMQ-AWEZNQCLSA-N 0 0 340.414 3.415 10 10 EGCERN O=C(NCc1cccc(Br)c1O)[C@H]1CCC[C@H](F)C1 ZINC001118093125 1371131102 /nfs/dbraw/zinc/13/11/02/1371131102.db2.gz MUAJGMOABAUQLQ-ONGXEEELSA-N 0 0 330.197 3.299 10 10 EGCERN CCOc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC001129814420 1373425910 /nfs/dbraw/zinc/42/59/10/1373425910.db2.gz GGHOSTMCEXPGSZ-OAHLLOKOSA-N 0 0 341.455 3.216 10 10 EGCERN COc1ccc(N2CCN(C(=O)[C@@H](C)CC(C)C)CC2)c(OC)c1 ZINC001132031908 1375107937 /nfs/dbraw/zinc/10/79/37/1375107937.db2.gz BOBPDXNTQGITLP-HNNXBMFYSA-N 0 0 334.460 3.035 10 10 EGCERN CO[C@@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)C1CC1 ZINC001132263562 1375253534 /nfs/dbraw/zinc/25/35/34/1375253534.db2.gz FPDQYLRDYOXBEH-LJQANCHMSA-N 0 0 326.440 3.444 10 10 EGCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001136348282 1377380594 /nfs/dbraw/zinc/38/05/94/1377380594.db2.gz DLHFHLLXWDBNSI-MRXNPFEDSA-N 0 0 329.371 3.013 10 10 EGCERN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001137070312 1377472262 /nfs/dbraw/zinc/47/22/62/1377472262.db2.gz AMQMKXPEDFDCJL-WBMJQRKESA-N 0 0 329.371 3.389 10 10 EGCERN CCO[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001139563015 1377908315 /nfs/dbraw/zinc/90/83/15/1377908315.db2.gz GDCFFUAOIMQPOJ-INIZCTEOSA-N 0 0 340.383 3.357 10 10 EGCERN CN(C)c1ccc(NC(=O)c2cccc(O)c2O)c(C(F)(F)F)c1 ZINC001141969905 1378399627 /nfs/dbraw/zinc/39/96/27/1378399627.db2.gz DRIXKUMFWVIVQB-UHFFFAOYSA-N 0 0 340.301 3.435 10 10 EGCERN CC(C)Oc1cncc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142728409 1378482797 /nfs/dbraw/zinc/48/27/97/1378482797.db2.gz SFFVNANNZPTFQX-UHFFFAOYSA-N 0 0 337.379 3.053 10 10 EGCERN CC1(C)OC[C@H](/C=C/C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC001142844074 1378494138 /nfs/dbraw/zinc/49/41/38/1378494138.db2.gz KJTHBBXOQBSACL-ZGKFYVQTSA-N 0 0 344.455 3.001 10 10 EGCERN CC[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)OC ZINC001143215615 1378561977 /nfs/dbraw/zinc/56/19/77/1378561977.db2.gz YLSONUGQXOOZDT-OAHLLOKOSA-N 0 0 328.412 3.023 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H]2C(F)(F)F)cc1 ZINC001143772623 1378644509 /nfs/dbraw/zinc/64/45/09/1378644509.db2.gz OEGRVGQIRAUEMW-INIZCTEOSA-N 0 0 338.329 3.455 10 10 EGCERN CC(C)n1ncc2cc(C=CC(=O)N(C)c3ccsc3)c(=O)[nH]c21 ZINC001143920706 1378660758 /nfs/dbraw/zinc/66/07/58/1378660758.db2.gz OJJAEXRFJOEEJJ-PLNGDYQASA-N 0 0 342.424 3.043 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NCCO[C@@H]1CC1(F)F ZINC001146418024 1378837581 /nfs/dbraw/zinc/83/75/81/1378837581.db2.gz YAWRHYOIPAKPMD-CYBMUJFWSA-N 0 0 340.395 3.310 10 10 EGCERN COc1ccccc1-c1cc(CNC(=O)C2=CC(=O)CS2)on1 ZINC001148936613 1379300528 /nfs/dbraw/zinc/30/05/28/1379300528.db2.gz CRFUBESQJHZAKS-UHFFFAOYSA-N 0 0 330.365 3.047 10 10 EGCERN COc1nc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)co1 ZINC001150449228 1379553576 /nfs/dbraw/zinc/55/35/76/1379553576.db2.gz FADYKWZHQZCURQ-UHFFFAOYSA-N 0 0 339.395 3.063 10 10 EGCERN Cc1cc(CNC(=O)c2cccc(=O)[nH]2)c(C)n1-c1cccc(C)c1 ZINC001151153318 1379668641 /nfs/dbraw/zinc/66/86/41/1379668641.db2.gz KVCAKZDCUWLCMC-UHFFFAOYSA-N 0 0 335.407 3.433 10 10 EGCERN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccc([N+](=O)[O-])cc1F ZINC001151892055 1379811704 /nfs/dbraw/zinc/81/17/04/1379811704.db2.gz GQRZCPGMDKDGGJ-MNOVXSKESA-N 0 0 332.331 3.420 10 10 EGCERN C[C@H](NC(=O)CSCC(=O)c1ccccc1)c1ccccc1O ZINC001151892363 1379811788 /nfs/dbraw/zinc/81/17/88/1379811788.db2.gz PBWNKEAWYQGLOH-ZDUSSCGKSA-N 0 0 329.421 3.186 10 10 EGCERN O=C(NCc1cc(O)ccc1O)C1(CCOCc2ccccc2)CC1 ZINC001153884978 1380149551 /nfs/dbraw/zinc/14/95/51/1380149551.db2.gz IEKYHBBNBJRYCX-UHFFFAOYSA-N 0 0 341.407 3.101 10 10 EGCERN C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cn1)c1ccc(N(C)C)cc1 ZINC001154668264 1380328087 /nfs/dbraw/zinc/32/80/87/1380328087.db2.gz FAYRBWMIYNYHIO-CYBMUJFWSA-N 0 0 335.411 3.029 10 10 EGCERN CCCCN(Cc1ccccc1O)C(=O)/C=C/[C@H]1COC(C)(C)O1 ZINC001155704890 1380485078 /nfs/dbraw/zinc/48/50/78/1380485078.db2.gz RYHRBPWZWPCXEY-OFAQMXQXSA-N 0 0 333.428 3.229 10 10 EGCERN COCOc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001156265019 1380549824 /nfs/dbraw/zinc/54/98/24/1380549824.db2.gz GNVUCQOFQXHSGP-UHFFFAOYSA-N 0 0 328.328 3.084 10 10 EGCERN CCC[C@@H](CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)OC ZINC001159294259 1381754324 /nfs/dbraw/zinc/75/43/24/1381754324.db2.gz DTBACDRPJLQBIQ-KRWDZBQOSA-N 0 0 342.439 3.452 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)c2nc3cnccc3s2)cc1 ZINC001291709252 1382150865 /nfs/dbraw/zinc/15/08/65/1382150865.db2.gz FBKMFRCIXRDVFS-UHFFFAOYSA-N 0 0 340.452 3.468 10 10 EGCERN O=C(NCc1ccc(O)cc1O)c1cc(-c2ccc(Cl)cc2)on1 ZINC001299569749 1383572309 /nfs/dbraw/zinc/57/23/09/1383572309.db2.gz GSCSGKRGAFQRNL-UHFFFAOYSA-N 0 0 344.754 3.336 10 10 EGCERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001299700096 1383617430 /nfs/dbraw/zinc/61/74/30/1383617430.db2.gz XOPDOMPQCJKHGE-MUJYYYPQSA-N 0 0 345.439 3.110 10 10 EGCERN CN1CC[C@@H](C(=O)NCc2ccc3cccnc3c2O)c2ccccc21 ZINC001299724102 1383624011 /nfs/dbraw/zinc/62/40/11/1383624011.db2.gz BOUWMRKJRKBKSG-QGZVFWFLSA-N 0 0 347.418 3.180 10 10 EGCERN Cn1cc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc21 ZINC001300947753 1383686813 /nfs/dbraw/zinc/68/68/13/1383686813.db2.gz NTVWMYOTOJFMGR-UHFFFAOYSA-N 0 0 349.394 3.313 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCN(C)c3cc(F)ccc32)c1O ZINC001167942868 1383774852 /nfs/dbraw/zinc/77/48/52/1383774852.db2.gz KBPFSNWPGSSRLD-UHFFFAOYSA-N 0 0 332.350 3.329 10 10 EGCERN O=C(COc1cc(Cl)cc(Cl)c1)NCc1c(O)cccc1O ZINC001304050024 1383825499 /nfs/dbraw/zinc/82/54/99/1383825499.db2.gz GVFDLKZQGRWQPW-UHFFFAOYSA-N 0 0 342.178 3.100 10 10 EGCERN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(F)cc21)c1ccccc1O ZINC001171723659 1384613838 /nfs/dbraw/zinc/61/38/38/1384613838.db2.gz WJLSTZXGVMHTIZ-SNVBAGLBSA-N 0 0 326.327 3.276 10 10 EGCERN C[C@@H](NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC001171723533 1384614029 /nfs/dbraw/zinc/61/40/29/1384614029.db2.gz SYIQOPMZBWVUFZ-BMIGLBTASA-N 0 0 339.313 3.322 10 10 EGCERN O=C(Cc1ccc(Cl)cc1Cl)NCc1cc(O)ccc1O ZINC001176748310 1385681499 /nfs/dbraw/zinc/68/14/99/1385681499.db2.gz OFUAMUPYMMORBS-UHFFFAOYSA-N 0 0 326.179 3.264 10 10 EGCERN Cc1cc(C(=O)N2CCO[C@@H](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC001178406294 1386208051 /nfs/dbraw/zinc/20/80/51/1386208051.db2.gz MXFRMWHPRRYLDX-AWEZNQCLSA-N 0 0 330.403 3.484 10 10 EGCERN [O-]c1c(Br)cccc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001338291083 1389619946 /nfs/dbraw/zinc/61/99/46/1389619946.db2.gz YFJWMASQIONONN-UHFFFAOYSA-N 0 0 340.261 3.403 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCOC[C@@H]2C)c1 ZINC001331542530 1389791061 /nfs/dbraw/zinc/79/10/61/1389791061.db2.gz PWEJNECWOSNTJF-ORAYPTAESA-N 0 0 340.423 3.061 10 10 EGCERN CN1CCCc2cc(CNC(=O)[C@H]3CC(C)(C)OC3(C)C)ccc21 ZINC001331552529 1389797245 /nfs/dbraw/zinc/79/72/45/1389797245.db2.gz GVAGKMORCZHSIN-MRXNPFEDSA-N 0 0 330.472 3.279 10 10 EGCERN C[C@H](NC(=O)NCc1cc(C(F)F)on1)c1ccc(N(C)C)cc1 ZINC001346876438 1390984091 /nfs/dbraw/zinc/98/40/91/1390984091.db2.gz XXLSQTOIGQXYPR-JTQLQIEISA-N 0 0 338.358 3.239 10 10 EGCERN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001347621140 1391101355 /nfs/dbraw/zinc/10/13/55/1391101355.db2.gz XCNUYRQTHMYGJH-HUUCEWRRSA-N 0 0 330.388 3.023 10 10 EGCERN Cc1cc(C(=O)N2CC[C@H]2[C@H]2CCCOC2)c(C)n1-c1ccccn1 ZINC001347627138 1391102202 /nfs/dbraw/zinc/10/22/02/1391102202.db2.gz CDUZIKZNUZZIGM-WMZOPIPTSA-N 0 0 339.439 3.130 10 10 EGCERN CC[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001352616079 1391823351 /nfs/dbraw/zinc/82/33/51/1391823351.db2.gz WSLNAESQWQNLGY-PKOBYXMFSA-N 0 0 330.472 3.450 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc(C2CC2)n1 ZINC001353912444 1392107844 /nfs/dbraw/zinc/10/78/44/1392107844.db2.gz ZQVHEUDAXKCHHS-UHFFFAOYSA-N 0 0 336.439 3.226 10 10 EGCERN CC(C)(CNC(=O)NCc1cccc(Br)c1O)C1CC1 ZINC001687729573 1396473505 /nfs/dbraw/zinc/47/35/05/1396473505.db2.gz JTNFYSYCFKTLAR-UHFFFAOYSA-N 0 0 341.249 3.390 10 10 EGCERN CC[C@@]1(C)CC[C@H](Cn2c(C)nnc2N(C)Cc2ccccc2O)O1 ZINC001497480728 1396763896 /nfs/dbraw/zinc/76/38/96/1396763896.db2.gz KSSJGJDIMZAKFB-APWZRJJASA-N 0 0 344.459 3.276 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(C)CCCS1 ZINC001693458488 1406016259 /nfs/dbraw/zinc/01/62/59/1406016259.db2.gz NWKURKBRBADPDA-KRWDZBQOSA-N 0 0 332.473 3.214 10 10 EGCERN CCc1nnc(N(CC)CC2CC2)n1Cc1ccc(N(C)C)cc1C ZINC001694647658 1406058567 /nfs/dbraw/zinc/05/85/67/1406058567.db2.gz LJXGJDDALRZSEU-UHFFFAOYSA-N 0 0 341.503 3.500 10 10 EGCERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001707861347 1417384356 /nfs/dbraw/zinc/38/43/56/1417384356.db2.gz FLBGKOWSSVXYEY-HNNXBMFYSA-N 0 0 348.397 3.364 10 10 EGCERN CCCN(CC)c1nnc(CC)n1Cc1ccc(N(C)C)cc1C ZINC001745599175 1439795447 /nfs/dbraw/zinc/79/54/47/1439795447.db2.gz MFUQISFGVPBCKT-UHFFFAOYSA-N 0 0 329.492 3.500 10 10 EGCERN CCN(CC)c1ccc(Cn2c(C)nnc2N(C)CC2CC2)cc1 ZINC001764931627 1441393845 /nfs/dbraw/zinc/39/38/45/1441393845.db2.gz UVSGKHBCRYVJFX-UHFFFAOYSA-N 0 0 327.476 3.327 10 10 EGCERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCOC(C)(C)C ZINC001767112224 1441404420 /nfs/dbraw/zinc/40/44/20/1441404420.db2.gz USALNQRSICGQRA-UHFFFAOYSA-N 0 0 344.459 3.313 10 10 EGCERN COc1ccc(CNC(=O)/C=C\c2ccc(N(C)C)cc2)c(OC)c1 ZINC000098054573 219074320 /nfs/dbraw/zinc/07/43/20/219074320.db2.gz ZRKCKDVACRJLIR-GHXNOFRVSA-N 0 0 340.423 3.099 10 10 EGCERN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000065606797 214976408 /nfs/dbraw/zinc/97/64/08/214976408.db2.gz UYQQXWVMVYWDFN-TYNCELHUSA-N 0 0 342.361 3.184 10 10 EGCERN COc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3C[C@H]3C)c2C)cc1 ZINC000002642873 209882089 /nfs/dbraw/zinc/88/20/89/209882089.db2.gz OWDRZYOENKSCLB-PXAZEXFGSA-N 0 0 341.407 3.485 10 10 EGCERN COCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000040570558 213352581 /nfs/dbraw/zinc/35/25/81/213352581.db2.gz NUNRNXMVGVJMPV-ZROIWOOFSA-N 0 0 332.450 3.406 10 10 EGCERN Cc1cc(C(=O)N(C)Cc2noc(C)n2)c(C)n1-c1cccc(C)c1 ZINC000181016745 455276266 /nfs/dbraw/zinc/27/62/66/455276266.db2.gz BSLFNPYVTRNOTN-UHFFFAOYSA-N 0 0 338.411 3.366 10 10 EGCERN COc1ccc(N2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000054271883 453919763 /nfs/dbraw/zinc/91/97/63/453919763.db2.gz OVXYKQJEHMOOFL-UHFFFAOYSA-N 0 0 347.440 3.377 10 10 EGCERN CCOc1cccc(CN[C@H](c2nccn2C)c2ccccc2)c1O ZINC000071792510 454217781 /nfs/dbraw/zinc/21/77/81/454217781.db2.gz LNNPDHALDGLKMA-SFHVURJKSA-N 0 0 337.423 3.404 10 10 EGCERN CCOc1c(F)cccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000072540688 454305898 /nfs/dbraw/zinc/30/58/98/454305898.db2.gz WDDXFFKYDMQILX-UHFFFAOYSA-N 0 0 344.386 3.330 10 10 EGCERN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000133817998 454471462 /nfs/dbraw/zinc/47/14/62/454471462.db2.gz XOHISMDHJCLOSI-QGZVFWFLSA-N 0 0 345.468 3.097 10 10 EGCERN Cc1ccc(O)c(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000092812227 454637656 /nfs/dbraw/zinc/63/76/56/454637656.db2.gz PSGSZRIKJIFBOR-MRXNPFEDSA-N 0 0 326.444 3.356 10 10 EGCERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000137309293 454776678 /nfs/dbraw/zinc/77/66/78/454776678.db2.gz DOPMJIRTTIPCNE-YPUOHESYSA-N 0 0 343.427 3.248 10 10 EGCERN CC1CCN(c2ccc(CNC(=O)Cc3cccc(O)c3)cc2)CC1 ZINC000108453753 454797581 /nfs/dbraw/zinc/79/75/81/454797581.db2.gz VJSCPJXWRSFNKW-UHFFFAOYSA-N 0 0 338.451 3.487 10 10 EGCERN Nc1c(OCc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O ZINC000164048475 454873070 /nfs/dbraw/zinc/87/30/70/454873070.db2.gz UZHMMSBDIXSBOW-UHFFFAOYSA-N 0 0 345.354 3.329 10 10 EGCERN CC/C(=C\C(=O)NCCc1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000179685184 455067148 /nfs/dbraw/zinc/06/71/48/455067148.db2.gz VLRLCWLUBZMDME-FYWRMAATSA-N 0 0 341.407 3.259 10 10 EGCERN COc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1OC ZINC000159931936 455416529 /nfs/dbraw/zinc/41/65/29/455416529.db2.gz AHFFZMCXDPDGFE-JLTOFOAXSA-N 0 0 343.423 3.371 10 10 EGCERN COC(=O)c1cccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000265974964 455417941 /nfs/dbraw/zinc/41/79/41/455417941.db2.gz BDSCSWXNSZOZDN-UHFFFAOYSA-N 0 0 345.395 3.135 10 10 EGCERN COc1ccc(N2CCN(c3ncnc4ccccc43)CC2)cc1F ZINC000267855188 455557441 /nfs/dbraw/zinc/55/74/41/455557441.db2.gz GZBNWQRCGSUKBF-UHFFFAOYSA-N 0 0 338.386 3.104 10 10 EGCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1 ZINC000292868104 455764153 /nfs/dbraw/zinc/76/41/53/455764153.db2.gz CXKLEETZZONRPS-UHFFFAOYSA-N 0 0 341.289 3.047 10 10 EGCERN CO[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000293481661 455787846 /nfs/dbraw/zinc/78/78/46/455787846.db2.gz VPFAISOCPGPDEG-ZIFCJYIRSA-N 0 0 347.455 3.105 10 10 EGCERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@]12CCCO2 ZINC000293706600 455795088 /nfs/dbraw/zinc/79/50/88/455795088.db2.gz UHSYBHGVZHHQPJ-BZUAXINKSA-N 0 0 329.799 3.001 10 10 EGCERN Cn1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c(C(F)(F)F)n1 ZINC000293675033 455795255 /nfs/dbraw/zinc/79/52/55/455795255.db2.gz QZBRYHWDFXLYMI-UHFFFAOYSA-N 0 0 337.704 3.227 10 10 EGCERN Nc1c(Cl)cc(N2C(=O)[C@@H]3[C@@H]4CCC[C@@H]4CN3C2=O)cc1Cl ZINC000278274022 455802948 /nfs/dbraw/zinc/80/29/48/455802948.db2.gz YRTDOCCNGIODEQ-JPVBRFOXSA-N 0 0 340.210 3.143 10 10 EGCERN Cc1ccc([C@@H](C)Nc2cccc3c2CCN3S(C)(=O)=O)c(O)c1 ZINC000186666581 455814977 /nfs/dbraw/zinc/81/49/77/455814977.db2.gz RRMHRFBTPZGMNB-CYBMUJFWSA-N 0 0 346.452 3.196 10 10 EGCERN COc1nccnc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000295270875 455844683 /nfs/dbraw/zinc/84/46/83/455844683.db2.gz VOVQTZDVGXDOEY-UHFFFAOYSA-N 0 0 326.444 3.011 10 10 EGCERN CCOc1ccc(O)c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000188487740 456072183 /nfs/dbraw/zinc/07/21/83/456072183.db2.gz SRLRATSKCUZXQI-ZDUSSCGKSA-N 0 0 330.432 3.083 10 10 EGCERN COCCn1c(C)c(C)c2cc(-c3nc(-c4ccncn4)no3)ccc21 ZINC000281464415 456241307 /nfs/dbraw/zinc/24/13/07/456241307.db2.gz RKXAARJTFCMRBE-UHFFFAOYSA-N 0 0 349.394 3.412 10 10 EGCERN COCCn1c(C)c(C)c2cc(C(=O)N3CCOCC[C@H]3C)ccc21 ZINC000367637460 457969592 /nfs/dbraw/zinc/96/95/92/457969592.db2.gz XWLLJMLFDFEJQR-CQSZACIVSA-N 0 0 344.455 3.156 10 10 EGCERN NC(=O)Cc1occc1C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000376065097 458182999 /nfs/dbraw/zinc/18/29/99/458182999.db2.gz FXFVPQUPYKZWNX-UHFFFAOYSA-N 0 0 346.386 3.177 10 10 EGCERN CC1(C)CCC[C@H]1CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000530200846 458714086 /nfs/dbraw/zinc/71/40/86/458714086.db2.gz XXONWCYLGJYQAU-HNNXBMFYSA-N 0 0 330.428 3.373 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528822598 459814689 /nfs/dbraw/zinc/81/46/89/459814689.db2.gz CVMMEFXZTDAMQO-WFASDCNBSA-N 0 0 326.234 3.304 10 10 EGCERN COc1ccc(O)c(CNC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c1 ZINC000528864709 459815435 /nfs/dbraw/zinc/81/54/35/459815435.db2.gz QYSSSTSGFLQRHP-BMGDILEWSA-N 0 0 343.810 3.256 10 10 EGCERN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000731867697 575216141 /nfs/dbraw/zinc/21/61/41/575216141.db2.gz QBZQHMAMLXCJLE-CQSZACIVSA-N 0 0 333.409 3.448 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)cc1 ZINC000740850491 576629243 /nfs/dbraw/zinc/62/92/43/576629243.db2.gz MQIBIRYLNXLPON-MJGOQNOKSA-N 0 0 326.440 3.375 10 10 EGCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1C[C@H]1c1ccccc1 ZINC000740909332 576636179 /nfs/dbraw/zinc/63/61/79/576636179.db2.gz KTAHYZBLTCTOAQ-PMACEKPBSA-N 0 0 333.435 3.418 10 10 EGCERN COc1cc(/C=C2/c3ccccc3N(C)C2=O)c([N+](=O)[O-])cc1OC ZINC000033474330 1291385867 /nfs/dbraw/zinc/38/58/67/1291385867.db2.gz UXXCMOFFUDSKCX-JYRVWZFOSA-N 0 0 340.335 3.129 10 10 EGCERN CC(=O)c1cc(F)cc(CN2CCN(c3ccccc3)CC2)c1O ZINC000079220222 1292548792 /nfs/dbraw/zinc/54/87/92/1292548792.db2.gz HAQPHCWIOZVZPN-UHFFFAOYSA-N 0 0 328.387 3.056 10 10 EGCERN COc1cc(N(C)CCc2ccc3c(c2)CCO3)cc(OC)c1OC ZINC000173797852 1294471325 /nfs/dbraw/zinc/47/13/25/1294471325.db2.gz BXBJUFLDTGYNFB-UHFFFAOYSA-N 0 0 343.423 3.326 10 10 EGCERN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000189421600 1295520659 /nfs/dbraw/zinc/52/06/59/1295520659.db2.gz DMKZILIXRVXFEW-UHFFFAOYSA-N 0 0 325.361 3.039 10 10 EGCERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3Cc4cccc(O)c4C3)c12 ZINC000871198725 1296268753 /nfs/dbraw/zinc/26/87/53/1296268753.db2.gz NUCABLWPVNBOPE-UHFFFAOYSA-N 0 0 348.406 3.016 10 10 EGCERN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1Cc2cccc(O)c2C1 ZINC000871197645 1296269008 /nfs/dbraw/zinc/26/90/08/1296269008.db2.gz CMLDUUMOALWTBB-QGZVFWFLSA-N 0 0 339.391 3.106 10 10 EGCERN CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C(F)F)CC2)c1O ZINC000872269955 1296873836 /nfs/dbraw/zinc/87/38/36/1296873836.db2.gz UVQRGUKZEBTAJR-ZDUSSCGKSA-N 0 0 333.762 3.104 10 10 EGCERN CC(=O)N1CCc2cc(NC(=O)N[C@@H](C)c3ccccc3O)ccc21 ZINC000878082370 1299736656 /nfs/dbraw/zinc/73/66/56/1299736656.db2.gz RLTVLEGLMJNUTK-LBPRGKRZSA-N 0 0 339.395 3.184 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000894677357 1309018361 /nfs/dbraw/zinc/01/83/61/1309018361.db2.gz ZMUJRCGZNZMVFK-LJQANCHMSA-N 0 0 333.378 3.197 10 10 EGCERN Oc1ccc(Cl)cc1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895562633 1309402407 /nfs/dbraw/zinc/40/24/07/1309402407.db2.gz RSIZOIHYRRDFOJ-UHFFFAOYSA-N 0 0 331.725 3.277 10 10 EGCERN COC[C@H](OC)c1noc(Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000896658072 1309962037 /nfs/dbraw/zinc/96/20/37/1309962037.db2.gz SYVHAYGSHFFTGZ-KRWDZBQOSA-N 0 0 341.411 3.402 10 10 EGCERN CCOCCC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897167213 1310205497 /nfs/dbraw/zinc/20/54/97/1310205497.db2.gz VUHQAVDMPUQHIP-UHFFFAOYSA-N 0 0 335.425 3.249 10 10 EGCERN CC(C)CSCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897217505 1310226374 /nfs/dbraw/zinc/22/63/74/1310226374.db2.gz DHTJBWHFACGADO-UHFFFAOYSA-N 0 0 325.455 3.432 10 10 EGCERN COC[C@@H]1CCCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897414256 1310328248 /nfs/dbraw/zinc/32/82/48/1310328248.db2.gz VTVUORUZLQJGTP-LLVKDONJSA-N 0 0 335.425 3.201 10 10 EGCERN CO[C@H]1C[C@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000897920051 1310515819 /nfs/dbraw/zinc/51/58/19/1310515819.db2.gz UOXBVFINHJMTGZ-HOTGVXAUSA-N 0 0 347.436 3.342 10 10 EGCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000899172613 1310965656 /nfs/dbraw/zinc/96/56/56/1310965656.db2.gz DGHCQQQDJFJOHG-AVGNSLFASA-N 0 0 347.436 3.078 10 10 EGCERN CO[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000857578785 1328552522 /nfs/dbraw/zinc/55/25/22/1328552522.db2.gz PXMJBBTXCCYONO-JSGCOSHPSA-N 0 0 349.386 3.216 10 10 EGCERN O=C(NCC1(C2(O)CCC2)CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899679923 1317132632 /nfs/dbraw/zinc/13/26/32/1317132632.db2.gz HJPOXNYQFCMAMC-UHFFFAOYSA-N 0 0 347.436 3.128 10 10 EGCERN CC[C@H](NC(=O)NCc1cc(C)ccc1O)c1c(C)nn(C)c1C ZINC000858258588 1328724884 /nfs/dbraw/zinc/72/48/84/1328724884.db2.gz KOKXQGGUMFOHBZ-HNNXBMFYSA-N 0 0 330.432 3.001 10 10 EGCERN C[C@@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858447540 1328764581 /nfs/dbraw/zinc/76/45/81/1328764581.db2.gz VVMFWQPVFDRLBW-KZULUSFZSA-N 0 0 344.367 3.181 10 10 EGCERN CCc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858453345 1328765839 /nfs/dbraw/zinc/76/58/39/1328765839.db2.gz VODVTLBXOMMDTM-UHFFFAOYSA-N 0 0 332.835 3.156 10 10 EGCERN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@]2(C)Br)cc1 ZINC000858604297 1328807879 /nfs/dbraw/zinc/80/78/79/1328807879.db2.gz GFNGPMOBYOOQPN-GDBMZVCRSA-N 0 0 339.277 3.323 10 10 EGCERN Cc1ccc(C)c(C2=NO[C@@H](C(=O)N3Cc4cccc(O)c4C3)C2)c1 ZINC000913726753 1319108975 /nfs/dbraw/zinc/10/89/75/1319108975.db2.gz WGTUJEFHMWDETA-LJQANCHMSA-N 0 0 336.391 3.044 10 10 EGCERN C/C=C\C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000858864417 1328879523 /nfs/dbraw/zinc/87/95/23/1328879523.db2.gz YPFHRFCQWFSWIK-ZZKXABKFSA-N 0 0 331.372 3.108 10 10 EGCERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C23CC(C2)C3)cc1 ZINC000858928956 1328892733 /nfs/dbraw/zinc/89/27/33/1328892733.db2.gz ZNQYIVWYZVKBCW-IPCDKGFNSA-N 0 0 328.456 3.060 10 10 EGCERN Cc1nc2sccn2c1C(=O)NCCCSc1nccs1 ZINC000859352544 1328974195 /nfs/dbraw/zinc/97/41/95/1328974195.db2.gz UXQKLLRFBQAZMK-UHFFFAOYSA-N 0 0 338.483 3.073 10 10 EGCERN COc1ccc(O)c(CNC(=O)N[C@@H]2CCSC3(CCC3)C2)c1 ZINC000918745069 1321989967 /nfs/dbraw/zinc/98/99/67/1321989967.db2.gz BMAPQOSASYWEDA-CYBMUJFWSA-N 0 0 336.457 3.018 10 10 EGCERN C[C@@H](NC(=O)N1CCOC[C@H]1CC1CC1)c1ccc(N(C)C)cc1 ZINC000922055654 1322445905 /nfs/dbraw/zinc/44/59/05/1322445905.db2.gz RSJIEDUBFVMBBX-RDTXWAMCSA-N 0 0 331.460 3.024 10 10 EGCERN COc1ccc(N2CC[C@@H](NCc3nc(C(C)(C)C)co3)C2)cc1 ZINC000922237574 1322485138 /nfs/dbraw/zinc/48/51/38/1322485138.db2.gz KSIKNCWCYLJFAT-CQSZACIVSA-N 0 0 329.444 3.349 10 10 EGCERN CC(C)O[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000922611282 1322570507 /nfs/dbraw/zinc/57/05/07/1322570507.db2.gz JZFAMHXLFZKWNX-HNNXBMFYSA-N 0 0 334.243 3.373 10 10 EGCERN C[NH+](C)CC[C@H](NCc1c([O-])ccc(Cl)c1F)c1cccnc1 ZINC000922628770 1322575088 /nfs/dbraw/zinc/57/50/88/1322575088.db2.gz RLKQDIBMSBECHQ-HNNXBMFYSA-N 0 0 337.826 3.362 10 10 EGCERN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000922691215 1322591803 /nfs/dbraw/zinc/59/18/03/1322591803.db2.gz FPUAKXYDSYSFEM-ZYHUDNBSSA-N 0 0 325.277 3.260 10 10 EGCERN O=C(COC(=O)c1cccc(O)c1O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000859641666 1329042642 /nfs/dbraw/zinc/04/26/42/1329042642.db2.gz AKJKDDNWHYEZLG-UWVGGRQHSA-N 0 0 346.301 3.192 10 10 EGCERN Cc1cc(C(=O)COC(=O)CC2(C)COC2)c(C)n1-c1ccccc1 ZINC000924111300 1322903278 /nfs/dbraw/zinc/90/32/78/1322903278.db2.gz JMCUWCUZPCCMCI-UHFFFAOYSA-N 0 0 341.407 3.247 10 10 EGCERN O=C(COC(=O)C1CCc2ccccc2CC1)c1ccc(O)c(O)c1 ZINC000859823486 1329087903 /nfs/dbraw/zinc/08/79/03/1329087903.db2.gz HFRVLNDOOVNNLL-UHFFFAOYSA-N 0 0 340.375 3.019 10 10 EGCERN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](C)C(F)(F)F)C2)cc1 ZINC000862035297 1329456406 /nfs/dbraw/zinc/45/64/06/1329456406.db2.gz PPCMKEQCBDOHHS-STQMWFEESA-N 0 0 344.377 3.226 10 10 EGCERN C[C@H](NC(=O)[C@H]1C[C@]1(C)Br)c1ccc(N(C)C)cc1 ZINC000860951110 1329372334 /nfs/dbraw/zinc/37/23/34/1329372334.db2.gz YPBYPTHSSFBEHU-ZBINZKHDSA-N 0 0 325.250 3.103 10 10 EGCERN C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(F)cc(F)c1[O-] ZINC000926929402 1327781914 /nfs/dbraw/zinc/78/19/14/1327781914.db2.gz WSINYUWQDMHPFK-SSDOTTSWSA-N 0 0 335.276 3.274 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCC3(CCC3)O2)c1 ZINC000927157020 1327897746 /nfs/dbraw/zinc/89/77/46/1327897746.db2.gz COEDVPYOFFGMAT-ZFWWWQNUSA-N 0 0 348.443 3.253 10 10 EGCERN Cc1cc(C(=O)N2CCC[C@@H]2c2ccnn2C)c(C)n1-c1ccccn1 ZINC000928373545 1328293034 /nfs/dbraw/zinc/29/30/34/1328293034.db2.gz AWTGJFNSJFSBEX-GOSISDBHSA-N 0 0 349.438 3.200 10 10 EGCERN CSc1nc(C(C)C)nc(C)c1C(=O)NCc1c(O)cccc1F ZINC000928711782 1328407341 /nfs/dbraw/zinc/40/73/41/1328407341.db2.gz LEOHAUMAICXABG-UHFFFAOYSA-N 0 0 349.431 3.405 10 10 EGCERN CCc1cc(Cl)cnc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000861609137 1329431109 /nfs/dbraw/zinc/43/11/09/1329431109.db2.gz CNKMZGOOIYLDPD-UHFFFAOYSA-N 0 0 335.791 3.073 10 10 EGCERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2COCC2(C)C)c1 ZINC000861919069 1329450293 /nfs/dbraw/zinc/45/02/93/1329450293.db2.gz CEQCQYOUSAUSDQ-SFHVURJKSA-N 0 0 340.423 3.061 10 10 EGCERN CCc1[nH]nc(Cl)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000862001849 1329454425 /nfs/dbraw/zinc/45/44/25/1329454425.db2.gz FGYRCJLCKGRPCA-LBPRGKRZSA-N 0 0 348.878 3.361 10 10 EGCERN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1O ZINC000862529279 1329492490 /nfs/dbraw/zinc/49/24/90/1329492490.db2.gz QWLMDWUSFPSQQM-XJKSGUPXSA-N 0 0 340.261 3.058 10 10 EGCERN O=C(CSc1nccs1)C1(NC(=O)OCc2ccccc2)CC1 ZINC000863295479 1329544724 /nfs/dbraw/zinc/54/47/24/1329544724.db2.gz VODNSRBJTQZIOE-UHFFFAOYSA-N 0 0 348.449 3.263 10 10 EGCERN CCCN(CCC)c1ccc(C[NH2+][C@@H](C(=O)[O-])[C@H]2CCCO2)cc1 ZINC000864519681 1329621791 /nfs/dbraw/zinc/62/17/91/1329621791.db2.gz VRACBNCWPSWNRB-QZTJIDSGSA-N 0 0 334.460 3.035 10 10 EGCERN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@@H](C)O1 ZINC000864637002 1329633189 /nfs/dbraw/zinc/63/31/89/1329633189.db2.gz DWUSXHPAHMVASF-MDZRGWNJSA-N 0 0 330.472 3.449 10 10 EGCERN C[C@H](NC(=S)N[C@@H]1CCOc2ccccc21)c1ccccc1O ZINC000865270027 1329681671 /nfs/dbraw/zinc/68/16/71/1329681671.db2.gz IXIOWOZAEBKDEF-SWLSCSKDSA-N 0 0 328.437 3.441 10 10 EGCERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCC12CC2 ZINC000865314171 1329685787 /nfs/dbraw/zinc/68/57/87/1329685787.db2.gz NWWNGZWCRXNKMI-AWEZNQCLSA-N 0 0 334.803 3.143 10 10 EGCERN Cn1nccc1-c1ccnc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000865442831 1329698056 /nfs/dbraw/zinc/69/80/56/1329698056.db2.gz NTJDSGCFMDZOAE-UHFFFAOYSA-N 0 0 334.427 3.089 10 10 EGCERN CCn1cnc2c1nc(Cl)nc2N[C@H](C)c1cc(OC)ccc1O ZINC000865508062 1329706966 /nfs/dbraw/zinc/70/69/66/1329706966.db2.gz LHEPNJIIRWBEBU-SECBINFHSA-N 0 0 347.806 3.387 10 10 EGCERN Oc1c(Br)cccc1CNc1ccc(N2CCCC2)nn1 ZINC000865728895 1329733365 /nfs/dbraw/zinc/73/33/65/1329733365.db2.gz AWEBTYSSNRBIOE-UHFFFAOYSA-N 0 0 349.232 3.157 10 10 EGCERN O=C(NCCCSc1nccs1)C1([C@H]2CCCCO2)CCC1 ZINC000865782952 1329738062 /nfs/dbraw/zinc/73/80/62/1329738062.db2.gz IDLYBAFRGPKPDR-CYBMUJFWSA-N 0 0 340.514 3.481 10 10 EGCERN COc1cccc([C@H](C)NCc2ncc(Br)s2)c1O ZINC000866620915 1330133799 /nfs/dbraw/zinc/13/37/99/1330133799.db2.gz WLYRFVZUARXBGB-QMMMGPOBSA-N 0 0 343.246 3.471 10 10 EGCERN C[C@H](NS(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccccc1O ZINC000867836076 1330223012 /nfs/dbraw/zinc/22/30/12/1330223012.db2.gz DCABMFDCBYBWFF-RYUDHWBXSA-N 0 0 333.400 3.198 10 10 EGCERN Cc1ccc(O)c(CNC(=O)NCC2([C@H]3CCCCO3)CCC2)c1 ZINC000868980842 1330386537 /nfs/dbraw/zinc/38/65/37/1330386537.db2.gz JOHNPHAMHWYSEO-QGZVFWFLSA-N 0 0 332.444 3.239 10 10 EGCERN COc1cccc(-c2nnc(CN[C@@H](C)c3ccccc3O)o2)c1 ZINC001197003455 1368729186 /nfs/dbraw/zinc/72/91/86/1368729186.db2.gz HNGKGOOCEYGMFT-LBPRGKRZSA-N 0 0 325.368 3.302 10 10 EGCERN COC(=O)c1cnc(Sc2c(Cl)cncc2[N+](=O)[O-])s1 ZINC001186556626 1387970201 /nfs/dbraw/zinc/97/02/01/1387970201.db2.gz HNDFXZNXJTYTGZ-UHFFFAOYSA-N 0 0 331.762 3.038 10 10 EGCERN CC(=O)N(C)c1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC001203161073 1370005605 /nfs/dbraw/zinc/00/56/05/1370005605.db2.gz KAGRBABMRICFEV-UHFFFAOYSA-N 0 0 336.794 3.457 10 10 EGCERN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1Cc2cccc(O)c2C1 ZINC001119833983 1371411468 /nfs/dbraw/zinc/41/14/68/1371411468.db2.gz FQUWIVVRSNKKLY-INIZCTEOSA-N 0 0 340.379 3.108 10 10 EGCERN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001125256903 1372764432 /nfs/dbraw/zinc/76/44/32/1372764432.db2.gz PCDFCHPBCLYCSV-OXQOHEQNSA-N 0 0 348.462 3.495 10 10 EGCERN CC[C@@H](C)Oc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccn1 ZINC001125534358 1372802993 /nfs/dbraw/zinc/80/29/93/1372802993.db2.gz HTCBQDWTSMVEOI-CYBMUJFWSA-N 0 0 345.418 3.394 10 10 EGCERN COc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)ncn1 ZINC001127742033 1373172635 /nfs/dbraw/zinc/17/26/35/1373172635.db2.gz UFFNRJQSAOXZHQ-UHFFFAOYSA-N 0 0 336.395 3.074 10 10 EGCERN Cc1cc(CC(=O)N[C@@]2(C)CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC001127890902 1373196604 /nfs/dbraw/zinc/19/66/04/1373196604.db2.gz RBHVDCKKYFZNMY-JXFKEZNVSA-N 0 0 326.440 3.320 10 10 EGCERN CO[C@@H]1CCC[C@H]1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001129158008 1373354868 /nfs/dbraw/zinc/35/48/68/1373354868.db2.gz LTWZMKYRNKWPGU-RTBURBONSA-N 0 0 326.440 3.320 10 10 EGCERN Cc1cc(CC(=O)N[C@@]23C[C@@H]2COC3(C)C)c(C)n1-c1ccccc1 ZINC001131219179 1373664164 /nfs/dbraw/zinc/66/41/64/1373664164.db2.gz JFYAYYBYCQERGV-UTKZUKDTSA-N 0 0 338.451 3.320 10 10 EGCERN CC[C@@H](C)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001132032148 1375107183 /nfs/dbraw/zinc/10/71/83/1375107183.db2.gz LZAVVAQIHNTJBN-CABCVRRESA-N 0 0 334.460 3.035 10 10 EGCERN CC1(C)C[C@H](OC(=O)c2csc(Cc3ccc(N)cc3)n2)CO1 ZINC001327147116 1388404211 /nfs/dbraw/zinc/40/42/11/1388404211.db2.gz SJQZTCXXPHSTAN-ZDUSSCGKSA-N 0 0 332.425 3.040 10 10 EGCERN Cc1cc(CC(=O)N[C@@H]2CCO[C@H]2C2CC2)c(C)n1-c1ccccc1 ZINC001133397683 1375981536 /nfs/dbraw/zinc/98/15/36/1375981536.db2.gz WSPXFLHQPZQYKS-CTNGQTDRSA-N 0 0 338.451 3.320 10 10 EGCERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1(C)C ZINC001230822108 1376159366 /nfs/dbraw/zinc/15/93/66/1376159366.db2.gz QTCNTQUGBNPKDY-JBBXEZCESA-N 0 0 346.471 3.130 10 10 EGCERN CO[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001136367789 1377383295 /nfs/dbraw/zinc/38/32/95/1377383295.db2.gz CFRFSYAXMXHIHA-OAHLLOKOSA-N 0 0 343.404 3.430 10 10 EGCERN CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)c2ccccc21 ZINC001136629615 1377410563 /nfs/dbraw/zinc/41/05/63/1377410563.db2.gz RHDXMOIWMUEDMU-UHFFFAOYSA-N 0 0 340.404 3.409 10 10 EGCERN CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001136705348 1377416379 /nfs/dbraw/zinc/41/63/79/1377416379.db2.gz JJPJDEDNVPEBKR-VOFKWLDRSA-N 0 0 330.472 3.256 10 10 EGCERN O=C(c1cc(C(F)F)n[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC001137343467 1377526322 /nfs/dbraw/zinc/52/63/22/1377526322.db2.gz QQKQQTKZNQRWGK-UHFFFAOYSA-N 0 0 347.321 3.489 10 10 EGCERN CN(Cc1ccccc1O)C(=O)CCC(=O)Nc1c(F)cccc1F ZINC001137345431 1377527694 /nfs/dbraw/zinc/52/76/94/1377527694.db2.gz IJZWNIPKKUSNPO-UHFFFAOYSA-N 0 0 348.349 3.048 10 10 EGCERN COc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cc1F ZINC001141248737 1378282872 /nfs/dbraw/zinc/28/28/72/1378282872.db2.gz ZCATZRUDMSYJCM-UHFFFAOYSA-N 0 0 347.367 3.390 10 10 EGCERN C=C=CCNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC001141382222 1378314408 /nfs/dbraw/zinc/31/44/08/1378314408.db2.gz PDBKWVATKMATEK-UHFFFAOYSA-N 0 0 346.228 3.323 10 10 EGCERN Cc1c(Br)cccc1CNC(=O)c1cccc(O)c1O ZINC001143750426 1378642409 /nfs/dbraw/zinc/64/24/09/1378642409.db2.gz PTECFLSRIUXXEC-UHFFFAOYSA-N 0 0 336.185 3.099 10 10 EGCERN O=C(NCCCSc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC001144322457 1378717334 /nfs/dbraw/zinc/71/73/34/1378717334.db2.gz RYKHQJIPFHFBBN-UHFFFAOYSA-N 0 0 341.389 3.103 10 10 EGCERN O=C(Cc1cccc(C(F)(F)F)n1)NCc1cc(Cl)ccc1O ZINC001146248218 1378802637 /nfs/dbraw/zinc/80/26/37/1378802637.db2.gz VIKALBBPBZASFU-UHFFFAOYSA-N 0 0 344.720 3.318 10 10 EGCERN O=C(Cc1ccc(OCc2ccncc2)cc1)NCc1ccccc1O ZINC001150535512 1379563674 /nfs/dbraw/zinc/56/36/74/1379563674.db2.gz BGMSIYRVCRLXQA-UHFFFAOYSA-N 0 0 348.402 3.225 10 10 EGCERN COc1ccc(O)c([C@H](C)NC(=O)c2cn(-c3ccccc3)cn2)c1 ZINC001150543118 1379565282 /nfs/dbraw/zinc/56/52/82/1379565282.db2.gz IOEQGVSIVCYUPO-ZDUSSCGKSA-N 0 0 337.379 3.078 10 10 EGCERN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001151879660 1379808230 /nfs/dbraw/zinc/80/82/30/1379808230.db2.gz VZERNTKSJNCIEF-LLVKDONJSA-N 0 0 330.340 3.190 10 10 EGCERN C[C@@H](NC(=O)c1cn(C)nc1-c1cccs1)c1ccccc1O ZINC001151886100 1379810316 /nfs/dbraw/zinc/81/03/16/1379810316.db2.gz VAPCRARHVZAOGQ-LLVKDONJSA-N 0 0 327.409 3.345 10 10 EGCERN COC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001152878004 1379989840 /nfs/dbraw/zinc/98/98/40/1379989840.db2.gz CAQBLECYZVNVTQ-LLVKDONJSA-N 0 0 348.830 3.429 10 10 EGCERN O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1cc(O)ccc1O ZINC001153879066 1380148356 /nfs/dbraw/zinc/14/83/56/1380148356.db2.gz CUXPDQRJDVBVRC-UHFFFAOYSA-N 0 0 330.771 3.091 10 10 EGCERN C[C@@H](COCC1CCCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001156148465 1380531202 /nfs/dbraw/zinc/53/12/02/1380531202.db2.gz SNFNSTMRPOQFDQ-PLWJUESGSA-N 0 0 333.428 3.213 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)c1ncon1 ZINC001156599127 1380598474 /nfs/dbraw/zinc/59/84/74/1380598474.db2.gz XCMPIJUMGKKLLW-JTQLQIEISA-N 0 0 330.413 3.072 10 10 EGCERN CC(C)C[C@@H]1CN(C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001156677049 1380608751 /nfs/dbraw/zinc/60/87/51/1380608751.db2.gz YAQTZAOYGZEMRN-CYBMUJFWSA-N 0 0 348.468 3.115 10 10 EGCERN COc1cc(Cl)c(Cl)cc1C(=O)NCc1c(O)cccc1O ZINC001156881022 1380715912 /nfs/dbraw/zinc/71/59/12/1380715912.db2.gz LXDUKSWIUBJVRO-UHFFFAOYSA-N 0 0 342.178 3.343 10 10 EGCERN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C2CC2)nn1C ZINC001328140124 1388681071 /nfs/dbraw/zinc/68/10/71/1388681071.db2.gz NVKRUINMCDWTOR-UHFFFAOYSA-N 0 0 328.416 3.447 10 10 EGCERN O=C(NCc1cccc(Cl)c1O)c1cnnc(-c2ccccc2)c1 ZINC001159041469 1381538715 /nfs/dbraw/zinc/53/87/15/1381538715.db2.gz OFJIQCWULLROCK-UHFFFAOYSA-N 0 0 339.782 3.433 10 10 EGCERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC001159723634 1381880557 /nfs/dbraw/zinc/88/05/57/1381880557.db2.gz SXUWNHMVJWUWTJ-SGTLLEGYSA-N 0 0 332.469 3.437 10 10 EGCERN CCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001294278678 1382434830 /nfs/dbraw/zinc/43/48/30/1382434830.db2.gz MZIOHSZJVCMGPU-INIZCTEOSA-N 0 0 344.459 3.314 10 10 EGCERN CN(Cc1ccccc1O)C(=O)Cc1c[nH]c2cnc(Cl)cc12 ZINC001294677295 1382483079 /nfs/dbraw/zinc/48/30/79/1382483079.db2.gz GEKQADRJFKAESN-UHFFFAOYSA-N 0 0 329.787 3.123 10 10 EGCERN CCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)cc1C ZINC001295125651 1382546564 /nfs/dbraw/zinc/54/65/64/1382546564.db2.gz MCICPIHHPKDODB-QGZVFWFLSA-N 0 0 343.475 3.008 10 10 EGCERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)C1CCC1 ZINC001163507839 1383068753 /nfs/dbraw/zinc/06/87/53/1383068753.db2.gz SXEUXHYGBQKCCB-GOSISDBHSA-N 0 0 340.379 3.399 10 10 EGCERN CC(C)(C)CC[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001296990210 1383102495 /nfs/dbraw/zinc/10/24/95/1383102495.db2.gz COJYJDPTNBCUHF-LLVKDONJSA-N 0 0 337.441 3.230 10 10 EGCERN O=S(=O)(c1ccc(NCc2c(O)cccc2O)cc1)C(F)(F)F ZINC001164212426 1383166671 /nfs/dbraw/zinc/16/66/71/1383166671.db2.gz QALIJFSVRMGNAI-UHFFFAOYSA-N 0 0 347.314 3.003 10 10 EGCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)cc(OC)c1C ZINC001297562344 1383185463 /nfs/dbraw/zinc/18/54/63/1383185463.db2.gz IAWTWNUCQNZOLS-UHFFFAOYSA-N 0 0 334.412 3.433 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)C=C(C2CC2)C2CC2)cc1 ZINC001164597342 1383204995 /nfs/dbraw/zinc/20/49/95/1383204995.db2.gz KHMBJJRKPKVKLN-UHFFFAOYSA-N 0 0 328.456 3.336 10 10 EGCERN CP(C)(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001165507580 1383304537 /nfs/dbraw/zinc/30/45/37/1383304537.db2.gz FOMWJLJONUHNLK-UHFFFAOYSA-N 0 0 337.743 3.224 10 10 EGCERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@]2(O)CCC[C@H]2C)cc1 ZINC001298562475 1383410384 /nfs/dbraw/zinc/41/03/84/1383410384.db2.gz HMHHFGJNCOWZLT-JLTOFOAXSA-N 0 0 326.440 3.375 10 10 EGCERN Cc1ccc(O)c(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC001167293416 1383586916 /nfs/dbraw/zinc/58/69/16/1383586916.db2.gz BZNXOQXFEOAMDN-UHFFFAOYSA-N 0 0 325.324 3.020 10 10 EGCERN Cc1c(Br)cncc1C(=O)N[C@@H](C)c1ccccc1O ZINC001302538523 1383757510 /nfs/dbraw/zinc/75/75/10/1383757510.db2.gz TZEMGLMYUPYDRK-JTQLQIEISA-N 0 0 335.201 3.349 10 10 EGCERN O=C(CCC(=O)NC1CCCC1)NCc1c(O)ccc2ccccc21 ZINC001304091167 1383829109 /nfs/dbraw/zinc/82/91/09/1383829109.db2.gz YZZUWLRZULUELU-UHFFFAOYSA-N 0 0 340.423 3.001 10 10 EGCERN CCc1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001306125524 1383877425 /nfs/dbraw/zinc/87/74/25/1383877425.db2.gz PVVPCWZOADBPHQ-ZBFHGGJFSA-N 0 0 341.503 3.498 10 10 EGCERN COC(OC)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307136800 1383943636 /nfs/dbraw/zinc/94/36/36/1383943636.db2.gz JRLFVQKYZHWXRF-GFCCVEGCSA-N 0 0 344.367 3.245 10 10 EGCERN COC(=O)/C=C/c1ccc(N2CCC(F)(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001307224506 1383960424 /nfs/dbraw/zinc/96/04/24/1383960424.db2.gz FHGKXHKKURBTMP-XVNBXDOJSA-N 0 0 348.374 3.500 10 10 EGCERN CCOc1ccc(N(CC(=O)Nc2ccccn2)CC2CC2)cc1 ZINC001308002098 1384071119 /nfs/dbraw/zinc/07/11/19/1384071119.db2.gz YWCWXCNAZOZKET-UHFFFAOYSA-N 0 0 325.412 3.335 10 10 EGCERN C[C@H]1C[C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001312377436 1384344002 /nfs/dbraw/zinc/34/40/02/1384344002.db2.gz JOYWFBILZWKALK-FUHWJXTLSA-N 0 0 345.487 3.243 10 10 EGCERN COc1ccc(CNC(=O)NCc2ccc3occc3c2)c(O)c1 ZINC001312979684 1384384091 /nfs/dbraw/zinc/38/40/91/1384384091.db2.gz ZURRXNDGDVBOPQ-UHFFFAOYSA-N 0 0 326.352 3.146 10 10 EGCERN CCOc1ccc(N2CCN(C(=O)C[C@H](C)C(F)(F)F)CC2)cc1 ZINC001328992724 1388921344 /nfs/dbraw/zinc/92/13/44/1388921344.db2.gz JDHVUWPARIKUPC-ZDUSSCGKSA-N 0 0 344.377 3.322 10 10 EGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[C@@H](F)C1 ZINC001329141462 1388987071 /nfs/dbraw/zinc/98/70/71/1388987071.db2.gz LAVVWUNYHPWIKP-ZWKOTPCHSA-N 0 0 348.462 3.040 10 10 EGCERN O=C(Nc1cc2n[nH]cc2c(C(F)(F)F)c1)c1cccc(O)c1O ZINC001178338144 1386192120 /nfs/dbraw/zinc/19/21/20/1386192120.db2.gz AARNZZLHLGWJPC-UHFFFAOYSA-N 0 0 337.257 3.245 10 10 EGCERN O=C(CCc1ccc(OC(F)F)cc1)NCc1c(O)cccc1F ZINC001178410222 1386209566 /nfs/dbraw/zinc/20/95/66/1386209566.db2.gz NIMGPEACCMNDSG-UHFFFAOYSA-N 0 0 339.313 3.382 10 10 EGCERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1 ZINC001321085530 1386805194 /nfs/dbraw/zinc/80/51/94/1386805194.db2.gz OIATWTQUXXDTFE-QLPKVWCKSA-N 0 0 330.815 3.122 10 10 EGCERN CN1CCCc2cc(CNC(=O)[C@@H]3CC(C)(C)OC3(C)C)ccc21 ZINC001331552527 1389797211 /nfs/dbraw/zinc/79/72/11/1389797211.db2.gz GVAGKMORCZHSIN-INIZCTEOSA-N 0 0 330.472 3.279 10 10 EGCERN C[C@H](COc1ccccc1F)NC(=O)N[C@@H](C)c1ccccc1O ZINC001332119302 1389996341 /nfs/dbraw/zinc/99/63/41/1389996341.db2.gz YNIYFVBDZWCWIS-OLZOCXBDSA-N 0 0 332.375 3.359 10 10 EGCERN c1cc(N2CCCC2)ccc1CNCc1nc2c(s1)COCC2 ZINC001333732845 1390386819 /nfs/dbraw/zinc/38/68/19/1390386819.db2.gz FBXMVDZCYRNPPR-UHFFFAOYSA-N 0 0 329.469 3.106 10 10 EGCERN CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC001351142311 1391604717 /nfs/dbraw/zinc/60/47/17/1391604717.db2.gz WAAVKBUSAQQTQX-UHFFFAOYSA-N 0 0 328.460 3.192 10 10 EGCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001351179646 1391607427 /nfs/dbraw/zinc/60/74/27/1391607427.db2.gz ZGUPKLVGONIDSM-MOPGFXCFSA-N 0 0 328.456 3.060 10 10 EGCERN Cc1cc(CC(=O)Nc2ccc(C(N)=O)cc2)c(C)n1-c1ccccc1 ZINC001351863411 1391703536 /nfs/dbraw/zinc/70/35/36/1391703536.db2.gz OPVVPVTYZOBLRK-UHFFFAOYSA-N 0 0 347.418 3.374 10 10 EGCERN CN(C)c1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001352615537 1391823385 /nfs/dbraw/zinc/82/33/85/1391823385.db2.gz PSCOPOMQXRXUAS-UHFFFAOYSA-N 0 0 338.455 3.020 10 10 EGCERN Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3)CC2)c(O)c1O ZINC001353421622 1392007971 /nfs/dbraw/zinc/00/79/71/1392007971.db2.gz VTXGRXUBEYKSFT-INIZCTEOSA-N 0 0 327.380 3.010 10 10 EGCERN CCO[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1 ZINC001354576212 1392153649 /nfs/dbraw/zinc/15/36/49/1392153649.db2.gz LPHLPXRAKVAAPA-HXUWFJFHSA-N 0 0 349.386 3.216 10 10 EGCERN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)cc1 ZINC001479329258 1392216212 /nfs/dbraw/zinc/21/62/12/1392216212.db2.gz ZIKCNDVZOIUVCO-PDWMJMLSSA-N 0 0 345.487 3.065 10 10 EGCERN CC[C@H]1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C1 ZINC001694892103 1406073270 /nfs/dbraw/zinc/07/32/70/1406073270.db2.gz SXVPXMVIZAUAMH-INIZCTEOSA-N 0 0 339.487 3.254 10 10 EGCERN CN(C)c1ccc(Cn2c(N(C)C3CC3)nnc2C(C)(C)C)cc1F ZINC001696611015 1406117397 /nfs/dbraw/zinc/11/73/97/1406117397.db2.gz UDRRNDMNWJGWGH-UHFFFAOYSA-N 0 0 345.466 3.428 10 10 EGCERN C[C@@H]1C[C@H]1n1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001726485924 1427063430 /nfs/dbraw/zinc/06/34/30/1427063430.db2.gz JEYZYVXMDVHAHA-CZUORRHYSA-N 0 0 335.411 3.263 10 10 EGCERN C[C@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001726606874 1427071344 /nfs/dbraw/zinc/07/13/44/1427071344.db2.gz HJHPSYOMZFIASG-ZDUSSCGKSA-N 0 0 343.450 3.255 10 10 EGCERN CCc1nnc(N(C)CCC2CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001727511518 1427107658 /nfs/dbraw/zinc/10/76/58/1427107658.db2.gz HFUJRBGGYJSDHX-UHFFFAOYSA-N 0 0 345.466 3.330 10 10 EGCERN CCN(c1nnc(C2CC2)n1Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC001728317552 1427145743 /nfs/dbraw/zinc/14/57/43/1427145743.db2.gz JLNRYBFJJAUGEQ-UHFFFAOYSA-N 0 0 343.450 3.398 10 10 EGCERN COCCC1(Cn2c(C)nnc2N(C)Cc2ccccc2O)CCC1 ZINC001730640912 1427181573 /nfs/dbraw/zinc/18/15/73/1427181573.db2.gz QMSSZNZFMGRFMH-UHFFFAOYSA-N 0 0 344.459 3.135 10 10 EGCERN CCc1nnc(N2CCCCCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001763065489 1441382001 /nfs/dbraw/zinc/38/20/01/1441382001.db2.gz XNADIOAPVVISKS-UHFFFAOYSA-N 0 0 345.466 3.474 10 10 EGCERN