smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)cc1-c1ccc(F)cc1 ZINC000409416101 231204955 /nfs/dbraw/zinc/20/49/55/231204955.db2.gz FTZNDWDWCRLNOG-UHFFFAOYSA-N 0 0 378.234 4.302 10 0 GIAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Br)c1 ZINC000226284919 203791555 /nfs/dbraw/zinc/79/15/55/203791555.db2.gz STTCNXRTMPISOI-UHFFFAOYSA-N 0 0 379.220 4.355 10 0 GIAERN Cc1ccc(N2C[C@H](NC(=O)C(c3ccccc3)c3ccccc3)CC2=O)cc1C ZINC000005194573 203792380 /nfs/dbraw/zinc/79/23/80/203792380.db2.gz XDZRYWQWFXNBFN-JOCHJYFZSA-N 0 0 398.506 4.357 10 0 GIAERN Clc1ccc([C@H]2OCO[C@]2(Cn2cncn2)c2ccccc2)c(Cl)c1 ZINC000026006442 203835089 /nfs/dbraw/zinc/83/50/89/203835089.db2.gz RSXFIHZFPZTPPO-QZTJIDSGSA-N 0 0 376.243 4.226 10 0 GIAERN C/C=C/c1ccc(O[C@H](C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000001532039 203912754 /nfs/dbraw/zinc/91/27/54/203912754.db2.gz LNEPYGTUEWFPKT-BUNWUOFNSA-N 0 0 388.460 4.255 10 0 biogenic,in-vitro GIAERN COC(=O)c1cc(Cl)c(NC(=O)/C=C/c2ccccc2Cl)cc1OC ZINC000001904850 203921955 /nfs/dbraw/zinc/92/19/55/203921955.db2.gz AIOMMDDXYPECTN-BQYQJAHWSA-N 0 0 380.227 4.441 10 0 GIAERN Cc1cc(Cl)cc2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc21 ZINC000004348250 204040685 /nfs/dbraw/zinc/04/06/85/204040685.db2.gz LNIFHDAKVIPPAT-UHFFFAOYSA-N 0 0 394.905 4.061 10 0 GIAERN C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000004377666 204042127 /nfs/dbraw/zinc/04/21/27/204042127.db2.gz BINHHFNPUZWVNW-XYZCENFISA-N 0 0 379.268 4.267 10 0 GIAERN Cc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)o1 ZINC000003660078 204017799 /nfs/dbraw/zinc/01/77/99/204017799.db2.gz DODVGBRLONIEMJ-RIYZIHGNSA-N 0 0 393.262 4.456 10 0 GIAERN CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000005125115 204112433 /nfs/dbraw/zinc/11/24/33/204112433.db2.gz ZHAVZSLGALCHPM-MEDUHNTESA-N 0 0 395.297 4.056 10 0 GIAERN O=C(c1ccco1)N(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000006801710 204208217 /nfs/dbraw/zinc/20/82/17/204208217.db2.gz UEWMAGCRSYJVME-KRWDZBQOSA-N 0 0 378.403 4.254 10 0 GIAERN Cc1nn([C@H](C)C(=O)N(C)Cc2ccccc2)c(=O)c2c3ccccc3sc21 ZINC000006799032 204208381 /nfs/dbraw/zinc/20/83/81/204208381.db2.gz LUTIFSVEKCWURN-OAHLLOKOSA-N 0 0 391.496 4.139 10 0 GIAERN O=C(c1cccs1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2cccnc2)=NO1 ZINC000006874446 204217888 /nfs/dbraw/zinc/21/78/88/204217888.db2.gz LCJIHLOSZCMLEU-GOSISDBHSA-N 0 0 395.459 4.118 10 0 GIAERN Cc1ccc(Cl)cc1NC(=S)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000006392818 204176740 /nfs/dbraw/zinc/17/67/40/204176740.db2.gz SDPSQUOTRFYBOO-QGZVFWFLSA-N 0 0 375.925 4.421 10 0 GIAERN CCCCNC(=O)[C@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1ccc(F)cc1 ZINC000006733938 204196920 /nfs/dbraw/zinc/19/69/20/204196920.db2.gz HJSPYLLVKRHSSQ-NQIIRXRSSA-N 0 0 392.540 4.206 10 0 GIAERN C[C@@H](c1ccccc1)N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](C)N2C1=S ZINC000009973120 204329007 /nfs/dbraw/zinc/32/90/07/204329007.db2.gz RROBISCIWDYEMB-CKFHNAJUSA-N 0 0 375.497 4.344 10 0 GIAERN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCC[C@H](C)C4)c3C)n2)c(C)s1 ZINC000012163642 204378132 /nfs/dbraw/zinc/37/81/32/204378132.db2.gz QLBPNDSZQRGQCY-ZDUSSCGKSA-N 0 0 395.532 4.188 10 0 GIAERN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1occc1C)O2 ZINC000012000062 204365886 /nfs/dbraw/zinc/36/58/86/204365886.db2.gz XHPFXTUVQUIATQ-SFHVURJKSA-N 0 0 375.424 4.191 10 0 GIAERN CCn1cc(CN2Cc3ccccc3O[C@H](c3ccccc3OC)C2)c(C)n1 ZINC000012020729 204367518 /nfs/dbraw/zinc/36/75/18/204367518.db2.gz VBFYYJSKQTUUEY-QHCPKHFHSA-N 0 0 377.488 4.356 10 0 GIAERN COCc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000032950027 204932621 /nfs/dbraw/zinc/93/26/21/204932621.db2.gz WBWTWGGYJGTMNW-UHFFFAOYSA-N 0 0 393.491 4.064 10 0 GIAERN CC(C)NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000037600542 205029305 /nfs/dbraw/zinc/02/93/05/205029305.db2.gz GVYKVJAESYQWPY-UHFFFAOYSA-N 0 0 378.516 4.477 10 0 GIAERN COc1cccc(C(=O)COc2ccc(-c3noc(C=C(C)C)n3)cc2OC)c1 ZINC000040415779 205064827 /nfs/dbraw/zinc/06/48/27/205064827.db2.gz XFXGMFBVVLMDER-UHFFFAOYSA-N 0 0 394.427 4.439 10 0 GIAERN COc1ccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)cc1 ZINC000040782644 205072412 /nfs/dbraw/zinc/07/24/12/205072412.db2.gz BMFZSNUMQUHUJK-UHFFFAOYSA-N 0 0 387.237 4.366 10 0 GIAERN Nc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-n1cnc2ccccc21 ZINC000040799876 205072829 /nfs/dbraw/zinc/07/28/29/205072829.db2.gz JDZNLPNTOKTPOU-UHFFFAOYSA-N 0 0 386.337 4.040 10 0 GIAERN Cc1ccc(Cn2c3cc(C(=O)N4CCc5ccccc54)ccc3oc2=O)cc1 ZINC000064894458 205200111 /nfs/dbraw/zinc/20/01/11/205200111.db2.gz IVKDNCQOLIYLCM-UHFFFAOYSA-N 0 0 384.435 4.154 10 0 GIAERN O=C(c1cccs1)N1CCC[C@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148320 205213540 /nfs/dbraw/zinc/21/35/40/205213540.db2.gz QGMHIQACFAVRLL-AWEZNQCLSA-N 0 0 382.464 4.441 10 0 GIAERN Cc1ccc(Cn2c3nnc(-c4cccc(F)c4)n3c3ccccc3c2=O)cc1 ZINC000065535172 205238588 /nfs/dbraw/zinc/23/85/88/205238588.db2.gz OCRSGMDTIXDCFU-UHFFFAOYSA-N 0 0 384.414 4.207 10 0 GIAERN Cc1ccc(C(=O)N2CCc3sc(C(=O)NC4CCCCC4)cc3C2)cc1 ZINC000065201342 205218851 /nfs/dbraw/zinc/21/88/51/205218851.db2.gz QNCGDGOLUIIIFH-UHFFFAOYSA-N 0 0 382.529 4.318 10 0 GIAERN COc1ccc(C2(C(=O)N3Cc4cnc(CC(C)C)nc4C3)CCCC2)cc1 ZINC000067774911 205260116 /nfs/dbraw/zinc/26/01/16/205260116.db2.gz LQGUEMNITIRUJN-UHFFFAOYSA-N 0 0 379.504 4.038 10 0 GIAERN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc2cccc(O)c2oc1=O ZINC000068153048 205272395 /nfs/dbraw/zinc/27/23/95/205272395.db2.gz FCODPGUEFHCCIA-UHFFFAOYSA-N 0 0 397.390 4.066 10 0 GIAERN COC(=O)[C@@](C)(c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000071973525 205300784 /nfs/dbraw/zinc/30/07/84/205300784.db2.gz JEQBEZLHAWBLCD-VWNXMTODSA-N 0 0 376.452 4.430 10 0 GIAERN Cc1cc(C(=O)N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(C)o1 ZINC000077099577 205357829 /nfs/dbraw/zinc/35/78/29/205357829.db2.gz WCRBNNVAPILMDP-UHFFFAOYSA-N 0 0 391.349 4.205 10 0 GIAERN CC(C)N(Cc1ccccc1F)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088164 205439079 /nfs/dbraw/zinc/43/90/79/205439079.db2.gz CSONNUCUJYSNJH-QGZVFWFLSA-N 0 0 378.488 4.210 10 0 GIAERN CSc1nccnc1COCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095076836 205436550 /nfs/dbraw/zinc/43/65/50/205436550.db2.gz OPJMNQBJUYDXSE-UHFFFAOYSA-N 0 0 381.542 4.142 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000095086158 205437205 /nfs/dbraw/zinc/43/72/05/205437205.db2.gz JICMNANBRWBOMZ-SFHVURJKSA-N 0 0 376.472 4.106 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2cnc(Cl)nc2Cl)C1 ZINC000095085207 205438425 /nfs/dbraw/zinc/43/84/25/205438425.db2.gz CWGWUIVZSKGZQN-LBPRGKRZSA-N 0 0 390.311 4.337 10 0 GIAERN Cc1nnc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)s1 ZINC000007454234 205785986 /nfs/dbraw/zinc/78/59/86/205785986.db2.gz DNYYQRMWFFEWJQ-UHFFFAOYSA-N 0 0 395.484 4.391 10 0 GIAERN COc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)NC1CCCCC1 ZINC000027526392 206015015 /nfs/dbraw/zinc/01/50/15/206015015.db2.gz TYZONAMXKHNUPV-UHFFFAOYSA-N 0 0 397.523 4.062 10 0 GIAERN CCn1c2ccccc2nc1NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000026465234 206000875 /nfs/dbraw/zinc/00/08/75/206000875.db2.gz YQTWMFWOGMKRPC-UHFFFAOYSA-N 0 0 391.397 4.178 10 0 GIAERN CC(=O)c1cccc(NC(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c1 ZINC000027918073 206019757 /nfs/dbraw/zinc/01/97/57/206019757.db2.gz YZNNUTGZRRHAGB-UHFFFAOYSA-N 0 0 399.248 4.481 10 0 GIAERN Cc1nn(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1Cl ZINC000027925072 206020727 /nfs/dbraw/zinc/02/07/27/206020727.db2.gz PHAJFSGTLSNUCX-UHFFFAOYSA-N 0 0 379.844 4.082 10 0 GIAERN Cc1nn(Cc2ccc(C(=O)Nc3cc(C)ccn3)cc2)c(C)c1Br ZINC000027970047 206022299 /nfs/dbraw/zinc/02/22/99/206022299.db2.gz RHWZJJPLSMGBTJ-UHFFFAOYSA-N 0 0 399.292 4.266 10 0 GIAERN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)n1cc(Br)cn1 ZINC000028224649 206034126 /nfs/dbraw/zinc/03/41/26/206034126.db2.gz ZILOAKYGAPVRLE-ZDUSSCGKSA-N 0 0 398.260 4.076 10 0 GIAERN Cc1nn(Cc2ccc(C(=O)Nc3ccc(-n4cccn4)cc3)o2)c(C)c1Cl ZINC000028240384 206037193 /nfs/dbraw/zinc/03/71/93/206037193.db2.gz MLSXRRHOBVLDKA-UHFFFAOYSA-N 0 0 395.850 4.233 10 0 GIAERN CC[C@@H](NC(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1)c1ccc(C)cc1 ZINC000028236344 206038365 /nfs/dbraw/zinc/03/83/65/206038365.db2.gz YXBVDEUOMVQSTL-QGZVFWFLSA-N 0 0 385.899 4.045 10 0 GIAERN O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1cccc(F)c1F ZINC000028304585 206041928 /nfs/dbraw/zinc/04/19/28/206041928.db2.gz YGCWNSYHGMRDEL-UHFFFAOYSA-N 0 0 381.741 4.243 10 0 GIAERN COc1cccc(Cn2nc(C)c(NC(=O)Nc3ccc(F)cc3F)c2C)c1 ZINC000032610375 206090294 /nfs/dbraw/zinc/09/02/94/206090294.db2.gz VOVABCUTRXOTAO-UHFFFAOYSA-N 0 0 386.402 4.479 10 0 GIAERN C[C@@H](OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000098092164 206124535 /nfs/dbraw/zinc/12/45/35/206124535.db2.gz LKKBIFVMIYWAGA-YLJYHZDGSA-N 0 0 399.487 4.228 10 0 GIAERN Cc1ccc(C(=O)Cn2nc(-c3ccccc3Br)ccc2=O)c(C)c1 ZINC000057486314 206210901 /nfs/dbraw/zinc/21/09/01/206210901.db2.gz GFUQJQBZNIKZRH-UHFFFAOYSA-N 0 0 397.272 4.173 10 0 GIAERN Cc1cc2nc(CSc3ccccc3NC(=O)c3ccccc3)cc(=O)n2o1 ZINC000007007220 206222013 /nfs/dbraw/zinc/22/20/13/206222013.db2.gz AMNBYLZQDMPSIF-UHFFFAOYSA-N 0 0 391.452 4.141 10 0 GIAERN Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CCC3)cc2N2CCCCC2)o1 ZINC000065165918 136159822 /nfs/dbraw/zinc/15/98/22/136159822.db2.gz XGBUARDAHNFEHA-UHFFFAOYSA-N 0 0 395.503 4.247 10 0 GIAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(Br)o1 ZINC000226254078 136192657 /nfs/dbraw/zinc/19/26/57/136192657.db2.gz JVQRXIDHJYIHTP-NSHDSACASA-N 0 0 378.270 4.255 10 0 GIAERN CC[C@H](C)NC(=O)CC1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000064667976 222078347 /nfs/dbraw/zinc/07/83/47/222078347.db2.gz PWVUMLNXRKJCIS-HNNXBMFYSA-N 0 0 399.560 4.276 10 0 GIAERN COc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c(C)cc2N)cc1OC ZINC000226331357 536776209 /nfs/dbraw/zinc/77/62/09/536776209.db2.gz YMULLDMTBRICTK-UHFFFAOYSA-N 0 0 383.492 4.083 10 0 GIAERN COC[C@H]1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1C ZINC000000601234 570210753 /nfs/dbraw/zinc/21/07/53/570210753.db2.gz WABYCCJHARSRBH-CYBMUJFWSA-N 0 0 393.712 4.405 10 0 in-man GIAERN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@H](C)C(C)C)c3)n2)o1 ZINC000023313337 570239779 /nfs/dbraw/zinc/23/97/79/570239779.db2.gz PGZMYXLXLNGEEG-CQSZACIVSA-N 0 0 381.480 4.128 10 0 GIAERN Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000205283744 570278851 /nfs/dbraw/zinc/27/88/51/570278851.db2.gz VQNLQGIXUAAUFO-UHFFFAOYSA-N 0 0 380.448 4.333 10 0 GIAERN CCn1nc(C(=O)N(C)Cc2ccco2)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901483 570343610 /nfs/dbraw/zinc/34/36/10/570343610.db2.gz DAZYYYPUAACNKM-UHFFFAOYSA-N 0 0 377.366 4.454 10 0 GIAERN COc1cccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)N(C)C)no2)c1 ZINC000034922284 570547687 /nfs/dbraw/zinc/54/76/87/570547687.db2.gz UBEZIZZDHQWBPW-UHFFFAOYSA-N 0 0 383.423 4.173 10 0 GIAERN COc1ccccc1NC(=O)N1C[C@H](C)[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000097941153 570743149 /nfs/dbraw/zinc/74/31/49/570743149.db2.gz BKBDCCCWUFVXLR-HOCLYGCPSA-N 0 0 378.432 4.013 10 0 GIAERN CC[C@@H]1CN(Cc2cc(C)c(I)cc2C)C[C@H](CC)O1 ZINC000675075934 570910106 /nfs/dbraw/zinc/91/01/06/570910106.db2.gz XGDMUGXZOFSNED-IYBDPMFKSA-N 0 0 387.305 4.297 10 0 GIAERN COc1ccccc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1OC ZINC000226288157 570936115 /nfs/dbraw/zinc/93/61/15/570936115.db2.gz FFGRHLXQBMXKMS-UHFFFAOYSA-N 0 0 388.423 4.117 10 0 GIAERN NC(=O)/C=C\c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 ZINC000409416213 231204772 /nfs/dbraw/zinc/20/47/72/231204772.db2.gz HOFRVTHHLUWEQP-KXFIGUGUSA-N 0 0 384.632 4.319 10 0 GIAERN COc1c(Cc2ccccc2O)c(O)cc(O)c1C(=O)CCc1ccccc1 ZINC000004098325 291137338 /nfs/dbraw/zinc/13/73/38/291137338.db2.gz WKYGVDYQMIWYES-UHFFFAOYSA-N 0 0 378.424 4.218 10 0 biogenic,in-vitro GIAERN COc1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)cn2)cc1OC ZINC000001331478 203901707 /nfs/dbraw/zinc/90/17/07/203901707.db2.gz IAIQCNRASKJSBS-UHFFFAOYSA-N 0 0 377.444 4.081 10 0 GIAERN COc1ccc(OC)c2sc(NC(=O)c3ccccc3Br)nc21 ZINC000004330889 204039936 /nfs/dbraw/zinc/03/99/36/204039936.db2.gz FWOAKSRCADCJOT-UHFFFAOYSA-N 0 0 393.262 4.328 10 0 GIAERN COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C=CC(C)(C)O4 ZINC000003978989 204022138 /nfs/dbraw/zinc/02/21/38/204022138.db2.gz ORDAZKGHSNRHTD-PMACEKPBSA-N 0 0 394.423 4.008 10 0 biogenic,in-vitro GIAERN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)[C@@H]1COc2ccccc2O1 ZINC000004224314 204032550 /nfs/dbraw/zinc/03/25/50/204032550.db2.gz USOREAQPHJTUOH-FQEVSTJZSA-N 0 0 392.480 4.467 10 0 GIAERN COC(=O)c1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1 ZINC000004801553 204076675 /nfs/dbraw/zinc/07/66/75/204076675.db2.gz BCIUYAWCFVJWDF-UHFFFAOYSA-N 0 0 380.469 4.369 10 0 GIAERN COCCN(Cc1cc2cc(OC)ccc2nc1Cl)C(=O)CC(C)(C)C ZINC000004881047 204085725 /nfs/dbraw/zinc/08/57/25/204085725.db2.gz AZXZAYZBGRDJLY-UHFFFAOYSA-N 0 0 378.900 4.308 10 0 GIAERN CCOc1ccc(Nc2cc(C(=O)NC[C@@H]3CCCO3)c3ccccc3n2)cc1 ZINC000004910621 204090422 /nfs/dbraw/zinc/09/04/22/204090422.db2.gz HJVCYAUMTFQCDW-SFHVURJKSA-N 0 0 391.471 4.286 10 0 GIAERN CC(C)(C)[C@@H]1CCc2c(sc3ncn(CC(=O)c4ccccc4)c(=O)c32)C1 ZINC000005483079 204134677 /nfs/dbraw/zinc/13/46/77/204134677.db2.gz FBMVGWNCFZHLLL-OAHLLOKOSA-N 0 0 380.513 4.492 10 0 GIAERN O=[S@@](Nc1ccccc1)c1ccc(Cl)cc1I ZINC000005484475 204135511 /nfs/dbraw/zinc/13/55/11/204135511.db2.gz ZTYAXNHUAAHLAT-KRWDZBQOSA-N 0 0 377.634 4.079 10 0 GIAERN O=C(NCc1ccccc1F)c1cc(Br)c(Br)s1 ZINC000006260551 204172184 /nfs/dbraw/zinc/17/21/84/204172184.db2.gz ZEJFSNPLUMGCRK-UHFFFAOYSA-N 0 0 393.075 4.342 10 0 GIAERN COc1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1 ZINC000006484552 204179420 /nfs/dbraw/zinc/17/94/20/204179420.db2.gz BYDBCAPACOXVEH-UHFFFAOYSA-N 0 0 378.165 4.073 10 0 in-vivo GIAERN O=C(Nc1ccccc1[C@H]1SCC(=O)N1c1ccc(F)cc1F)C1CCC1 ZINC000006705524 204192741 /nfs/dbraw/zinc/19/27/41/204192741.db2.gz TVHRZLLWNRYPHY-HXUWFJFHSA-N 0 0 388.439 4.482 10 0 GIAERN CC(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000006722898 204195201 /nfs/dbraw/zinc/19/52/01/204195201.db2.gz SNJANZLTRDRSEL-KRWDZBQOSA-N 0 0 381.520 4.457 10 0 GIAERN CCCCNC(=O)[C@@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1ccc(F)cc1 ZINC000006733937 204197537 /nfs/dbraw/zinc/19/75/37/204197537.db2.gz HJSPYLLVKRHSSQ-RXVVDRJESA-N 0 0 392.540 4.206 10 0 GIAERN Cc1oc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)nc1COc1ccccc1 ZINC000006940952 204226758 /nfs/dbraw/zinc/22/67/58/204226758.db2.gz LVYAGDRYVLCUNI-FQEVSTJZSA-N 0 0 392.455 4.138 10 0 GIAERN C[C@@H](c1ccccc1)N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](C)N2C1=S ZINC000009973118 204329380 /nfs/dbraw/zinc/32/93/80/204329380.db2.gz RROBISCIWDYEMB-NJSLBKSFSA-N 0 0 375.497 4.344 10 0 GIAERN O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000011816671 204354014 /nfs/dbraw/zinc/35/40/14/204354014.db2.gz HSNFADDCAVQWLF-PLMTUMEDSA-N 0 0 390.483 4.336 10 0 GIAERN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)N1CCC[C@@H](c2ccccc2)C1 ZINC000015004312 204553362 /nfs/dbraw/zinc/55/33/62/204553362.db2.gz TZJLGEAICALBGO-XXBNENTESA-N 0 0 396.556 4.126 10 0 GIAERN O=C(NCC(c1ccccc1)c1ccccc1)c1cn(CC2CCCCC2)nn1 ZINC000020324644 204711845 /nfs/dbraw/zinc/71/18/45/204711845.db2.gz LSYOJRSVBRPRPI-UHFFFAOYSA-N 0 0 388.515 4.420 10 0 GIAERN Cc1cc(N[C@H](C)c2ccc(Br)s2)ccc1NS(C)(=O)=O ZINC000038003146 204776550 /nfs/dbraw/zinc/77/65/50/204776550.db2.gz MFOSQLMDFZRZTN-SNVBAGLBSA-N 0 0 389.340 4.364 10 0 GIAERN Cc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)s1 ZINC000033141890 204948643 /nfs/dbraw/zinc/94/86/43/204948643.db2.gz FCCZQHGFKLGSFN-UHFFFAOYSA-N 0 0 375.453 4.316 10 0 GIAERN CCOc1ccc(Br)cc1[C@@H](N)c1ccc(Br)o1 ZINC000035081856 204983256 /nfs/dbraw/zinc/98/32/56/204983256.db2.gz ZFPPKDHXRZPPFB-CYBMUJFWSA-N 0 0 375.060 4.251 10 0 GIAERN O=C(Nc1c(F)cc(F)cc1Br)c1cc(Br)c[nH]1 ZINC000035179626 204983457 /nfs/dbraw/zinc/98/34/57/204983457.db2.gz YCYNAUUBPSPPEU-UHFFFAOYSA-N 0 0 379.986 4.070 10 0 GIAERN CC[C@@H](C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1cccc2ccccc21 ZINC000035746254 204996333 /nfs/dbraw/zinc/99/63/33/204996333.db2.gz VFBIPCJWPYJLEV-CQSZACIVSA-N 0 0 381.501 4.484 10 0 GIAERN Cc1ccc(C(=O)N2C[C@H](C(=O)NCCC(C)C)[C@@H](c3ccccc3C)C2)cc1 ZINC000036055038 205004221 /nfs/dbraw/zinc/00/42/21/205004221.db2.gz CAIUJTZXAOTHNG-PKTZIBPZSA-N 0 0 392.543 4.322 10 0 GIAERN CCN(C)C(=O)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000036083169 205004386 /nfs/dbraw/zinc/00/43/86/205004386.db2.gz ONEDLQRPRZBDHD-UHFFFAOYSA-N 0 0 382.291 4.238 10 0 GIAERN COc1cc(OC)cc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000036246316 205009431 /nfs/dbraw/zinc/00/94/31/205009431.db2.gz SJZLVAIVEZZXJT-UHFFFAOYSA-N 0 0 397.496 4.408 10 0 GIAERN CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000036381488 205015359 /nfs/dbraw/zinc/01/53/59/205015359.db2.gz XBRORLDCTPTWRG-UHFFFAOYSA-N 0 0 396.516 4.415 10 0 GIAERN C[C@H](NC(=O)/C=C\c1ccccc1F)c1ccc2c(c1)N(CC1CC1)CCO2 ZINC000038151885 205035485 /nfs/dbraw/zinc/03/54/85/205035485.db2.gz IDFFOPPWSLCCAA-SLWQEBJJSA-N 0 0 380.463 4.325 10 0 GIAERN CCCCOC(=O)c1nc2ccccc2nc1Nc1ccc2c(c1)OCCO2 ZINC000045901585 205099087 /nfs/dbraw/zinc/09/90/87/205099087.db2.gz LSPRWEASTGLSMN-UHFFFAOYSA-N 0 0 379.416 4.102 10 0 GIAERN COc1ccccc1Nc1ncnc(Nc2cccc(Br)c2)c1N ZINC000040781561 205072333 /nfs/dbraw/zinc/07/23/33/205072333.db2.gz YOICUHRKENQKKN-UHFFFAOYSA-N 0 0 386.253 4.317 10 0 GIAERN COc1ccccc1Oc1ncnc(Nc2ccccc2Br)c1N ZINC000040781492 205072882 /nfs/dbraw/zinc/07/28/82/205072882.db2.gz XZNJPNDYXQBEEU-UHFFFAOYSA-N 0 0 387.237 4.366 10 0 GIAERN CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c3ccccc3[nH]c21 ZINC000040860227 205073606 /nfs/dbraw/zinc/07/36/06/205073606.db2.gz IIDSLZKFWFFLAB-UHFFFAOYSA-N 0 0 392.430 4.298 10 0 GIAERN O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1 ZINC000040883451 205074795 /nfs/dbraw/zinc/07/47/95/205074795.db2.gz NAHMPQOJDATOGS-UHFFFAOYSA-N 0 0 377.783 4.360 10 0 GIAERN CCN1CCN(C(=O)c2cc(Nc3ccc(C)c(C)c3)nc3ccccc32)CC1 ZINC000058096206 205164141 /nfs/dbraw/zinc/16/41/41/205164141.db2.gz ODGQDROLCGEWSL-UHFFFAOYSA-N 0 0 388.515 4.373 10 0 GIAERN CCCC(=O)Nc1ccc(OCc2cc(C(=O)NC3CCC(C)CC3)no2)cc1 ZINC000065027075 205207345 /nfs/dbraw/zinc/20/73/45/205207345.db2.gz SLNFALJVFZJYAG-UHFFFAOYSA-N 0 0 399.491 4.301 10 0 GIAERN CCOc1ccc(NC(=O)Nc2nccn(-c3cccc(Cl)c3C)c2=O)cc1 ZINC000065060631 205208341 /nfs/dbraw/zinc/20/83/41/205208341.db2.gz YVJWQHLETKIYTQ-UHFFFAOYSA-N 0 0 398.850 4.237 10 0 GIAERN O=C(Cc1cccc(F)c1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168582 205214075 /nfs/dbraw/zinc/21/40/75/205214075.db2.gz VTVFXLYHOZTPSS-UHFFFAOYSA-N 0 0 381.838 4.064 10 0 GIAERN COc1ccc(-c2nc(Cc3noc(Cc4cccc(OC)c4)n3)c(C)o2)cc1 ZINC000065247388 205222567 /nfs/dbraw/zinc/22/25/67/205222567.db2.gz PRMXIOIOBNFPSI-UHFFFAOYSA-N 0 0 391.427 4.232 10 0 GIAERN Cc1ccccc1CNC(=O)c1ccn2c(c1)nnc2-c1ccc(Cl)cc1 ZINC000065296189 205228252 /nfs/dbraw/zinc/22/82/52/205228252.db2.gz XCEYBQDIJSJYEH-UHFFFAOYSA-N 0 0 376.847 4.288 10 0 GIAERN Cc1ccc(-c2nc(NCc3ccncn3)ncc2-c2ccc(CO)cc2)cc1 ZINC000065491595 205236617 /nfs/dbraw/zinc/23/66/17/205236617.db2.gz NSERQMOUMSBEAV-UHFFFAOYSA-N 0 0 383.455 4.013 10 0 GIAERN C[C@@H](NC(=O)c1ccc(I)cc1)c1cccc(Cl)c1 ZINC000070134245 205278125 /nfs/dbraw/zinc/27/81/25/205278125.db2.gz QYCOKFNJNLSPFG-SNVBAGLBSA-N 0 0 385.632 4.436 10 0 GIAERN CCOC(=O)c1sc2nc(C)nc(Nc3cc(OC)ccc3OC)c2c1C ZINC000072260959 205319384 /nfs/dbraw/zinc/31/93/84/205319384.db2.gz ITFFUGAQSXSYMT-UHFFFAOYSA-N 0 0 387.461 4.246 10 0 GIAERN Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1ccc2c(c1)NC(=O)CO2 ZINC000073197627 205355414 /nfs/dbraw/zinc/35/54/14/205355414.db2.gz KLPDOSFCNONAFF-UHFFFAOYSA-N 0 0 391.324 4.337 10 0 GIAERN C[C@H](CN1CCN([C@@H](C)O[C@H](C)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000100348702 205608474 /nfs/dbraw/zinc/60/84/74/205608474.db2.gz VVYAVEWLUQGJOG-NJDAHSKKSA-N 0 0 380.532 4.247 10 0 GIAERN CCOc1ccc([C@@H]2CC(c3ccc(CC)cc3)=Nc3ncnn32)cc1OC ZINC000102798190 205635678 /nfs/dbraw/zinc/63/56/78/205635678.db2.gz YMIYWHMHRGKVDR-IBGZPJMESA-N 0 0 376.460 4.304 10 0 GIAERN COc1ccc(/C=C/C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1OC ZINC000224284304 206018057 /nfs/dbraw/zinc/01/80/57/206018057.db2.gz ALWNCVKTRPRHGN-CSKARUKUSA-N 0 0 395.390 4.077 10 0 GIAERN COc1cccc(C(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)c1OC ZINC000027925008 206020630 /nfs/dbraw/zinc/02/06/30/206020630.db2.gz XRCRBRXVIFQHNG-UHFFFAOYSA-N 0 0 385.851 4.412 10 0 GIAERN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cc(Cl)ccc1Cl ZINC000027933059 206021061 /nfs/dbraw/zinc/02/10/61/206021061.db2.gz NRDJBJNVWNZDQP-UHFFFAOYSA-N 0 0 380.197 4.337 10 0 GIAERN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000027974298 206022712 /nfs/dbraw/zinc/02/27/12/206022712.db2.gz MIQTZNJOZGZIEW-INIZCTEOSA-N 0 0 375.424 4.412 10 0 GIAERN Cc1ccc(O)c(NC(=O)CSc2nc(C)nc3sc4c(c32)CCC4)c1 ZINC000028165323 206027547 /nfs/dbraw/zinc/02/75/47/206027547.db2.gz OYFGEXNYGIOZPJ-UHFFFAOYSA-N 0 0 385.514 4.233 10 0 GIAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(-c2ccncc2)s1 ZINC000028221408 206033096 /nfs/dbraw/zinc/03/30/96/206033096.db2.gz JGWLPXVTOQOZIP-VIFPVBQESA-N 0 0 395.271 4.313 10 0 GIAERN Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1c(F)cccc1F ZINC000028228888 206034077 /nfs/dbraw/zinc/03/40/77/206034077.db2.gz QOSVMMIDHZDEST-UHFFFAOYSA-N 0 0 393.340 4.345 10 0 GIAERN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000028243249 206040804 /nfs/dbraw/zinc/04/08/04/206040804.db2.gz TXCKLQPFGIPZRK-UHFFFAOYSA-N 0 0 385.471 4.246 10 0 GIAERN COc1cccc(-c2cc(C(=O)NCc3csc(-c4ccccc4)n3)[nH]n2)c1 ZINC000028244900 206041665 /nfs/dbraw/zinc/04/16/65/206041665.db2.gz CJNQZPCYLJUJRF-UHFFFAOYSA-N 0 0 390.468 4.139 10 0 GIAERN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1cccnc1 ZINC000032609855 206090369 /nfs/dbraw/zinc/09/03/69/206090369.db2.gz OKIACZVTGJCQMW-UHFFFAOYSA-N 0 0 390.365 4.203 10 0 GIAERN COCOc1cc2c(cc1C=O)[C@@H]1CC[C@]3(C)[C@H](OCOC)CC[C@H]3[C@H]1CC2 ZINC000256439191 206150971 /nfs/dbraw/zinc/15/09/71/206150971.db2.gz PGRCGHQMTWFDPC-WZXISTRQSA-N 0 0 388.504 4.327 10 0 GIAERN CCCCOC(=O)c1cc(N2CCC3(CC2)OCCO3)c2c(C)ccc(C)c2n1 ZINC000261508182 206185299 /nfs/dbraw/zinc/18/52/99/206185299.db2.gz QGGCUVIXRJCULN-UHFFFAOYSA-N 0 0 398.503 4.152 10 0 GIAERN Cc1cc(NC(=O)c2ccc(Br)c(N)c2)ccc1Br ZINC000040297043 206194287 /nfs/dbraw/zinc/19/42/87/206194287.db2.gz JCYQJMPUSNMBMU-UHFFFAOYSA-N 0 0 384.071 4.355 10 0 GIAERN C[C@@H](NC(=O)/C=C/c1ccccc1F)c1ccc2c(c1)N(CC1CC1)CCO2 ZINC000098088088 206225743 /nfs/dbraw/zinc/22/57/43/206225743.db2.gz IDFFOPPWSLCCAA-PXUDHTSWSA-N 0 0 380.463 4.325 10 0 GIAERN COc1cc(/C=C2/SC(=N)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000006603468 206220746 /nfs/dbraw/zinc/22/07/46/206220746.db2.gz NBYRNUXFKNCFRV-OVCLIPMQSA-N 0 0 392.839 4.205 10 0 GIAERN Nc1c(Sc2cccc3cccnc32)ncnc1N1CCc2ccccc2C1 ZINC000040780775 132406605 /nfs/dbraw/zinc/40/66/05/132406605.db2.gz WLPACQQBKPNRGG-UHFFFAOYSA-N 0 0 385.496 4.321 10 0 GIAERN CC1CCN(C(=O)C[C@H]2COc3cc(F)ccc3N2Cc2ccccc2)CC1 ZINC000064663475 136157379 /nfs/dbraw/zinc/15/73/79/136157379.db2.gz SFEDZJQYEZLAFC-FQEVSTJZSA-N 0 0 382.479 4.242 10 0 GIAERN Cc1noc2nc(CCC(=O)Nc3ccc(Cl)cc3)nc(N3CCCCC3)c12 ZINC000065056280 136158942 /nfs/dbraw/zinc/15/89/42/136158942.db2.gz FENQYSPTJJFAJH-UHFFFAOYSA-N 0 0 399.882 4.141 10 0 GIAERN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071762536 136166460 /nfs/dbraw/zinc/16/64/60/136166460.db2.gz SORDZWUONBOIQA-QGZVFWFLSA-N 0 0 382.467 4.309 10 0 GIAERN O=C(C[C@@H]1COc2cc(F)ccc2N1Cc1ccccc1)Nc1nccs1 ZINC000096322994 136186561 /nfs/dbraw/zinc/18/65/61/136186561.db2.gz QLEZJIYUODOWRT-MRXNPFEDSA-N 0 0 383.448 4.079 10 0 GIAERN COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(C)cc3Br)n2)cc1 ZINC000057341460 523089997 /nfs/dbraw/zinc/08/99/97/523089997.db2.gz LPWHIWYQDCFINN-UHFFFAOYSA-N 0 0 386.249 4.260 10 0 GIAERN O=C1CCN(c2cc(-c3ccncc3)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000073679035 526988477 /nfs/dbraw/zinc/98/84/77/526988477.db2.gz OQDDWMGIYCJNHW-UHFFFAOYSA-N 0 0 398.388 4.394 10 0 GIAERN CCCCC[C@@H](C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000015256940 560096959 /nfs/dbraw/zinc/09/69/59/560096959.db2.gz PXBFKEHWQRAQQD-RBUKOAKNSA-N 0 0 380.481 4.167 10 0 endogenous,in-man GIAERN COc1ccc2c(c1OC)[C@H](OC)N(C)c1c-2ccc2cc3c(cc21)OCO3 ZINC000001531459 560181537 /nfs/dbraw/zinc/18/15/37/560181537.db2.gz LVWAKZBZWYHYCJ-QFIPXVFZSA-N 0 0 379.412 4.348 10 0 biogenic,in-vitro GIAERN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@@H](C)C(C)C)c3)n2)o1 ZINC000023313340 570239643 /nfs/dbraw/zinc/23/96/43/570239643.db2.gz PGZMYXLXLNGEEG-AWEZNQCLSA-N 0 0 381.480 4.128 10 0 GIAERN COc1cccc(CN2CCN(C(=O)Nc3cccc(Cl)c3Cl)CC2)c1 ZINC000020274214 570251264 /nfs/dbraw/zinc/25/12/64/570251264.db2.gz YNORDALJWKDYJP-UHFFFAOYSA-N 0 0 394.302 4.352 10 0 GIAERN COc1cc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc(OC)c1OC ZINC000015861502 570278290 /nfs/dbraw/zinc/27/82/90/570278290.db2.gz UFIJRZNOZFOOKH-UHFFFAOYSA-N 0 0 397.427 4.445 10 0 GIAERN CCOC(=O)N1CCC2(CC1)O[C@]21c2ccc(Cl)cc2CCc2cccnc21 ZINC000022061877 570303878 /nfs/dbraw/zinc/30/38/78/570303878.db2.gz AHZBXSSTBLMSKB-QFIPXVFZSA-N 0 0 398.890 4.099 10 0 in-vitro GIAERN O=C(NCCc1ccccn1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000034831064 570335127 /nfs/dbraw/zinc/33/51/27/570335127.db2.gz VBPDGHJRCFSSCR-UHFFFAOYSA-N 0 0 376.847 4.022 10 0 GIAERN O=C(Nc1ccccc1Cl)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000035514889 570389580 /nfs/dbraw/zinc/38/95/80/570389580.db2.gz MZWIBUNEKCABNL-UHFFFAOYSA-N 0 0 387.896 4.089 10 0 GIAERN CC[C@@H]1Cn2c(c3nc(-c4cc(Cl)cc(Cl)c4Cl)nc-3n(C)c2=O)N1 ZINC000036387185 570564541 /nfs/dbraw/zinc/56/45/41/570564541.db2.gz YYDHUJWLNPIBDS-MRVPVSSYSA-N 0 0 398.681 4.448 10 0 in-vitro GIAERN Cc1cc(Cl)ccc1NC(=O)N1C[C@H]2C[C@@H]1[C@@H](NC(=O)c1ccccc1)C2 ZINC000097942163 570672309 /nfs/dbraw/zinc/67/23/09/570672309.db2.gz NAJRFVWSTFQWMG-MDASCCDHSA-N 0 0 383.879 4.073 10 0 GIAERN Cc1csc2nc(C)nc(N[C@H](c3nc(C(C)C)no3)C3CCOCC3)c12 ZINC000275521428 570695073 /nfs/dbraw/zinc/69/50/73/570695073.db2.gz YCRBWHHKEAKRHF-HNNXBMFYSA-N 0 0 387.509 4.394 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(O)(COc2ccc(Cl)c(Cl)c2)CC1 ZINC000498051070 570909123 /nfs/dbraw/zinc/90/91/23/570909123.db2.gz JWSHINBNMXOYPP-UHFFFAOYSA-N 0 0 376.280 4.134 10 0 GIAERN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 ZINC000226246192 570935506 /nfs/dbraw/zinc/93/55/06/570935506.db2.gz MZMYJJYUXGQYHK-DHZHZOJOSA-N 0 0 391.902 4.493 10 0 GIAERN c1ccc(C[NH+](Cc2ccccc2)C[C@H]2COCc3nc4cccnc4n32)cc1 ZINC000096112413 291139029 /nfs/dbraw/zinc/13/90/29/291139029.db2.gz NIHLIGGXSIWNHC-NRFANRHFSA-N 0 0 384.483 4.205 10 0 GIAERN CCCOc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)c2C(=O)OC)cc1 ZINC000028284551 203786417 /nfs/dbraw/zinc/78/64/17/203786417.db2.gz ZFEJFPKFWNOSCX-MRXNPFEDSA-N 0 0 389.473 4.108 10 0 GIAERN FC(F)(F)c1nnc2sc(-c3ccc(OCc4ccccc4)cc3)nn21 ZINC000226298615 203791385 /nfs/dbraw/zinc/79/13/85/203791385.db2.gz IITOVJBKKRGAOW-UHFFFAOYSA-N 0 0 376.363 4.451 10 0 GIAERN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2-c1nnc(Br)s1 ZINC000026438944 203793120 /nfs/dbraw/zinc/79/31/20/203793120.db2.gz YPASAPCUFAJGEN-UHFFFAOYSA-N 0 0 376.283 4.004 10 0 GIAERN CC(C)C(=O)Nc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 ZINC000035088427 203837297 /nfs/dbraw/zinc/83/72/97/203837297.db2.gz YRNJZFNNUWIDPO-UHFFFAOYSA-N 0 0 376.865 4.249 10 0 GIAERN O=c1c(Br)coc2c(Br)cc(Br)cc12 ZINC000090548678 203830637 /nfs/dbraw/zinc/83/06/37/203830637.db2.gz AVDVRNRZQQNVPW-UHFFFAOYSA-N 0 0 382.833 4.081 10 0 GIAERN CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 ZINC000000867267 203860533 /nfs/dbraw/zinc/86/05/33/203860533.db2.gz RAFSSKMXJNJYEZ-UHFFFAOYSA-N 0 0 375.450 4.125 10 0 GIAERN COc1ccc(-c2c(NC(=O)c3ccccc3)n(C)nc2C(F)(F)F)cc1 ZINC000001029643 203874246 /nfs/dbraw/zinc/87/42/46/203874246.db2.gz PJGPLTFNTBMQRF-UHFFFAOYSA-N 0 0 375.350 4.367 10 0 GIAERN COc1cc(/C=C/C(=O)Nc2ccc(F)cc2)cc(Br)c1OC ZINC000001983912 203923926 /nfs/dbraw/zinc/92/39/26/203923926.db2.gz CZDUIIJCHNUWIW-FPYGCLRLSA-N 0 0 380.213 4.257 10 0 GIAERN COc1cc(C(=O)Oc2c(Cl)cc(Cl)cc2C=O)cc(OC)c1OC ZINC000002160485 203928263 /nfs/dbraw/zinc/92/82/63/203928263.db2.gz PVYDPYYHBJVCSJ-UHFFFAOYSA-N 0 0 385.199 4.051 10 0 GIAERN O=C(Nc1nc2c(cccc2F)s1)c1ccccc1I ZINC000004331602 204039143 /nfs/dbraw/zinc/03/91/43/204039143.db2.gz RAOBHQRIDPTKAS-UHFFFAOYSA-N 0 0 398.200 4.292 10 0 GIAERN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O ZINC000003977834 204022188 /nfs/dbraw/zinc/02/21/88/204022188.db2.gz GDUPBUZZJUIEDX-HIOJCNTLSA-N 0 0 378.512 4.453 10 0 in-vitro GIAERN COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)n(-c1ccc(C)cc1)c2=O ZINC000004767756 204074152 /nfs/dbraw/zinc/07/41/52/204074152.db2.gz WBDZRRUYCUHCCB-UHFFFAOYSA-N 0 0 385.423 4.224 10 0 GIAERN O=C(COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2)NCc1ccccc1 ZINC000004879666 204086008 /nfs/dbraw/zinc/08/60/08/204086008.db2.gz RLBNCWOEQDYXSW-UHFFFAOYSA-N 0 0 379.456 4.050 10 0 GIAERN C[C@H](NC(=O)CCCN1C(=O)COc2ccc(C(C)(C)C)cc21)c1ccccc1 ZINC000004913778 204091337 /nfs/dbraw/zinc/09/13/37/204091337.db2.gz GQYGZCVZXBCLKA-KRWDZBQOSA-N 0 0 394.515 4.367 10 0 GIAERN C[C@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1 ZINC000006020045 204161490 /nfs/dbraw/zinc/16/14/90/204161490.db2.gz ANFHKXSOSRDDRQ-NSHDSACASA-N 0 0 383.231 4.112 10 0 in-vitro GIAERN CCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4cccnc4)ccc32)cc1 ZINC000008323761 204272437 /nfs/dbraw/zinc/27/24/37/204272437.db2.gz GXSSFWMWSGCCCV-UHFFFAOYSA-N 0 0 386.455 4.058 10 0 GIAERN Nc1ncnc2nc(-c3ccc4c(c3)OCO4)cc(-c3ccc(Cl)cc3)c12 ZINC000009694512 204321167 /nfs/dbraw/zinc/32/11/67/204321167.db2.gz GSPNMHRFQGKRLH-UHFFFAOYSA-N 0 0 376.803 4.323 10 0 GIAERN Cc1ccc(C)c(-c2cn3c(C(=O)N[C@@H](C)Cc4cccnc4)csc3n2)c1 ZINC000011935220 204363121 /nfs/dbraw/zinc/36/31/21/204363121.db2.gz NSEBTSHOOZMZCV-INIZCTEOSA-N 0 0 390.512 4.436 10 0 GIAERN Fc1ccc(N2CCCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000011933472 204363282 /nfs/dbraw/zinc/36/32/82/204363282.db2.gz UPGWLGZNBIJERN-UHFFFAOYSA-N 0 0 386.858 4.241 10 0 GIAERN Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)/C=C/c1cccs1)C2 ZINC000011975932 204366631 /nfs/dbraw/zinc/36/66/31/204366631.db2.gz QUMQQGGFQQLCJS-OAGJVSPASA-N 0 0 376.481 4.252 10 0 GIAERN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCC[C@@H](C)C4)c3C)n2)c(C)s1 ZINC000012163637 204378333 /nfs/dbraw/zinc/37/83/33/204378333.db2.gz QLBPNDSZQRGQCY-CYBMUJFWSA-N 0 0 395.532 4.188 10 0 GIAERN O=C1CCCCN1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000012199041 204381079 /nfs/dbraw/zinc/38/10/79/204381079.db2.gz KTLKKENFPNQANQ-UHFFFAOYSA-N 0 0 398.406 4.023 10 0 GIAERN C[C@@H](c1cc(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)on1)c1ccccc1 ZINC000012242499 204386517 /nfs/dbraw/zinc/38/65/17/204386517.db2.gz IMTZZQZMGOKZHE-GFCCVEGCSA-N 0 0 380.835 4.286 10 0 GIAERN COc1ccc2c(c1)O[C@@H](C)CN(C(=O)c1c(C)onc1-c1ccccc1)C2 ZINC000012281255 204388897 /nfs/dbraw/zinc/38/88/97/204388897.db2.gz KYWKHVSCMMJCQN-AWEZNQCLSA-N 0 0 378.428 4.082 10 0 GIAERN Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CSc2ccccn2)cc1C ZINC000012309019 204395996 /nfs/dbraw/zinc/39/59/96/204395996.db2.gz ISTSRLGNYXMRPM-IBGZPJMESA-N 0 0 392.528 4.170 10 0 GIAERN O=C(NCCc1ccncc1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000012320882 204397695 /nfs/dbraw/zinc/39/76/95/204397695.db2.gz LSQCYQUKDPBFAY-UHFFFAOYSA-N 0 0 391.858 4.440 10 0 GIAERN O=C(CN1c2ccccc2Oc2ncccc2C1=O)Nc1ccccc1Cl ZINC000015679875 204571060 /nfs/dbraw/zinc/57/10/60/204571060.db2.gz QFYBKEYXLMCXSL-UHFFFAOYSA-N 0 0 379.803 4.126 10 0 GIAERN C[C@@H](Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Br)s1 ZINC000038002738 204776035 /nfs/dbraw/zinc/77/60/35/204776035.db2.gz ZMXOYPYFGZLAGF-MRVPVSSYSA-N 0 0 384.690 4.313 10 0 GIAERN C[C@H](Nc1cccc(NS(C)(=O)=O)c1)c1ccc(Br)s1 ZINC000038002146 204777830 /nfs/dbraw/zinc/77/78/30/204777830.db2.gz LISJCVNHHIWHBH-VIFPVBQESA-N 0 0 375.313 4.055 10 0 GIAERN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1ccc(F)cc1 ZINC000033307207 204957901 /nfs/dbraw/zinc/95/79/01/204957901.db2.gz PAGZOVZRXSHZCL-YFHOEESVSA-N 0 0 375.421 4.227 10 0 GIAERN C[C@H]1C[C@@]2(C=CC(=O)N2c2cccc(F)c2)CCN1C(=O)OCc1ccccc1 ZINC000033358718 204962302 /nfs/dbraw/zinc/96/23/02/204962302.db2.gz ONGWWPBBAPRGTI-GAJHUEQPSA-N 0 0 394.446 4.288 10 0 GIAERN O=C(/C=C\c1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000033339306 204962777 /nfs/dbraw/zinc/96/27/77/204962777.db2.gz IDFYFVSXDFLPBX-WAPJZHGLSA-N 0 0 379.262 4.495 10 0 GIAERN COc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(NCC3CC3)n21 ZINC000034699540 204972737 /nfs/dbraw/zinc/97/27/37/204972737.db2.gz FXDFPXWKMUKNAZ-UHFFFAOYSA-N 0 0 379.851 4.428 10 0 GIAERN O=C(C1CC1)N(Cc1cc(-c2cccs2)on1)Cc1ccc2c(c1)OCO2 ZINC000036012059 205002336 /nfs/dbraw/zinc/00/23/36/205002336.db2.gz YOXDZHPBXZBMSZ-UHFFFAOYSA-N 0 0 382.441 4.071 10 0 GIAERN CCN1c2ccccc2[C@@]2(SC(C)(C)CN2C(=O)Nc2ccccc2F)C1=O ZINC000036151941 205007119 /nfs/dbraw/zinc/00/71/19/205007119.db2.gz YLZBNCGHNIRRBI-OAQYLSRUSA-N 0 0 399.491 4.405 10 0 GIAERN CC(C)[C@@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 ZINC000038548619 205037157 /nfs/dbraw/zinc/03/71/57/205037157.db2.gz OSMMPQFRVPFIQZ-NHCUHLMSSA-N 0 0 381.472 4.066 10 0 GIAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(OCc3ccccc3)cc2)[C@@H](O)C1 ZINC000040435187 205065495 /nfs/dbraw/zinc/06/54/95/205065495.db2.gz FYTOCUHAQHZOGJ-RTWAWAEBSA-N 0 0 383.488 4.351 10 0 GIAERN Nc1c(Nc2ccc(Br)cn2)ncnc1NC1CCCCCC1 ZINC000040779981 205071444 /nfs/dbraw/zinc/07/14/44/205071444.db2.gz BKZUULDDVBMSES-UHFFFAOYSA-N 0 0 377.290 4.095 10 0 GIAERN COc1ccc(Oc2ncnc(Nc3ccccc3Br)c2N)cc1 ZINC000040781493 205073206 /nfs/dbraw/zinc/07/32/06/205073206.db2.gz ZGRPIJJHCWAKBR-UHFFFAOYSA-N 0 0 387.237 4.366 10 0 GIAERN Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1cccnc1Cl ZINC000040782333 205073390 /nfs/dbraw/zinc/07/33/90/205073390.db2.gz RWNBIZFWAFYQTE-UHFFFAOYSA-N 0 0 391.660 4.357 10 0 GIAERN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Nc1ccc(C(F)(F)F)cc1 ZINC000041105027 205076999 /nfs/dbraw/zinc/07/69/99/205076999.db2.gz ZDXRCAWAJKYMGU-INIZCTEOSA-N 0 0 393.409 4.160 10 0 GIAERN O=c1[nH]c2cc(F)ccc2cc1CN(Cc1ccncc1)Cc1ccc(F)cc1 ZINC000055415131 205148544 /nfs/dbraw/zinc/14/85/44/205148544.db2.gz UQAZMFDBOGWPNS-UHFFFAOYSA-N 0 0 391.421 4.404 10 0 GIAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000056940235 205153668 /nfs/dbraw/zinc/15/36/68/205153668.db2.gz ASXCIMQREFTYMF-FQEVSTJZSA-N 0 0 398.890 4.337 10 0 GIAERN CCN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)c2ccccc2)=N1 ZINC000057401687 205157013 /nfs/dbraw/zinc/15/70/13/205157013.db2.gz FUVQGWNRLIJLKK-UHFFFAOYSA-N 0 0 387.892 4.340 10 0 GIAERN COc1nc2ccccc2nc1OCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095076595 205435741 /nfs/dbraw/zinc/43/57/41/205435741.db2.gz WMJBPZNSLZAERP-OAHLLOKOSA-N 0 0 387.480 4.054 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COCc1ccnc(Br)c1 ZINC000095086671 205437624 /nfs/dbraw/zinc/43/76/24/205437624.db2.gz ZZGZLZXZGXEJGG-AWEZNQCLSA-N 0 0 385.302 4.150 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](COCc2ccnc(Br)c2)C1 ZINC000095085475 205437985 /nfs/dbraw/zinc/43/79/85/205437985.db2.gz JMYIWJRIBSEJOK-CQSZACIVSA-N 0 0 385.302 4.008 10 0 GIAERN CC(=O)c1nc2ccccc2n1C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095082708 205438330 /nfs/dbraw/zinc/43/83/30/205438330.db2.gz ZDJBHUIMNVODOR-IBGZPJMESA-N 0 0 391.471 4.288 10 0 GIAERN CCOC(=O)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1 ZINC000095938132 205504654 /nfs/dbraw/zinc/50/46/54/205504654.db2.gz XVENNQIEXLHRMA-UHFFFAOYSA-N 0 0 392.196 4.011 10 0 GIAERN C[C@@H](c1ccccc1)[C@@H](CC(=O)N1CCOCC1)c1cn(C)c2ccccc12 ZINC000096278699 205556356 /nfs/dbraw/zinc/55/63/56/205556356.db2.gz PKGSCBPNFLZFSY-GHTZIAJQSA-N 0 0 376.500 4.315 10 0 GIAERN NC(=O)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000226319164 205688905 /nfs/dbraw/zinc/68/89/05/205688905.db2.gz LWQVEXTWMVLRFC-UHFFFAOYSA-N 0 0 375.049 4.434 10 0 GIAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2[nH]c(=NN)sc2c1 ZINC000226312821 205689549 /nfs/dbraw/zinc/68/95/49/205689549.db2.gz KKTGQENWSFTUMK-MRVPVSSYSA-N 0 0 397.287 4.295 10 0 GIAERN Cc1cc(C)c(OCC(=O)n2nnc3cccc(Cl)c32)c(Br)c1 ZINC000226359908 205690088 /nfs/dbraw/zinc/69/00/88/205690088.db2.gz NYGPTFCVWWFUGR-UHFFFAOYSA-N 0 0 394.656 4.183 10 0 GIAERN Cc1cc(C)c(OCC(=O)n2nnc3cc(Cl)ccc32)c(Br)c1 ZINC000226359765 205691158 /nfs/dbraw/zinc/69/11/58/205691158.db2.gz CUBCWYLAVWTGHT-UHFFFAOYSA-N 0 0 394.656 4.183 10 0 GIAERN CCCCNC(=O)Nc1c(C)nn(Cc2ccc(Br)cc2)c1C ZINC000027921443 206021031 /nfs/dbraw/zinc/02/10/31/206021031.db2.gz KGTHUKXZPBWIGQ-UHFFFAOYSA-N 0 0 379.302 4.232 10 0 GIAERN Cc1nn(Cc2ccc(C(=O)N3CCC(C)CC3)cc2)c(C)c1Br ZINC000027970292 206022579 /nfs/dbraw/zinc/02/25/79/206022579.db2.gz KBFDNRYKZYNENQ-UHFFFAOYSA-N 0 0 390.325 4.183 10 0 GIAERN Cc1nn(Cc2ccc(C(=O)NCc3ccccc3)cc2)c(C)c1Br ZINC000027970303 206022798 /nfs/dbraw/zinc/02/27/98/206022798.db2.gz NVJFDYLLQMXNBC-UHFFFAOYSA-N 0 0 398.304 4.241 10 0 GIAERN O=C(CCC(=O)N1CCCc2ccccc21)Nc1nc2ccc(F)cc2s1 ZINC000027985456 206024882 /nfs/dbraw/zinc/02/48/82/206024882.db2.gz NYRQIRDBUHUUHW-UHFFFAOYSA-N 0 0 383.448 4.134 10 0 GIAERN COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2cccc(Cl)c2)c1 ZINC000028220560 206033227 /nfs/dbraw/zinc/03/32/27/206033227.db2.gz DUPTWNAIWQMDMO-UHFFFAOYSA-N 0 0 376.243 4.499 10 0 GIAERN O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1ccc(F)cc1F ZINC000028229147 206035085 /nfs/dbraw/zinc/03/50/85/206035085.db2.gz YGHTYARHOWJZBY-UHFFFAOYSA-N 0 0 381.741 4.243 10 0 GIAERN Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccc(Br)cc1F ZINC000028235368 206037205 /nfs/dbraw/zinc/03/72/05/206037205.db2.gz QTDGFEZALBWDPQ-QMMMGPOBSA-N 0 0 394.166 4.312 10 0 GIAERN Cc1cc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)n(C2CCCC2)n1 ZINC000028246973 206040363 /nfs/dbraw/zinc/04/03/63/206040363.db2.gz QCWXCQJSPVICGR-LLVKDONJSA-N 0 0 383.418 4.105 10 0 GIAERN Cc1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)sc1C(=O)N(C)C ZINC000032501856 206090476 /nfs/dbraw/zinc/09/04/76/206090476.db2.gz NTBJWRZXQVRSHT-UHFFFAOYSA-N 0 0 397.884 4.413 10 0 GIAERN CC1=Nc2ccc(Br)cc2[C@H](OCC(=O)NCc2ccccc2)C1 ZINC000227148470 206099958 /nfs/dbraw/zinc/09/99/58/206099958.db2.gz IFKWTMZTKZDILU-GOSISDBHSA-N 0 0 387.277 4.319 10 0 GIAERN COc1cccc(NC(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)c1 ZINC000032609844 206091234 /nfs/dbraw/zinc/09/12/34/206091234.db2.gz XZWGMSDFWAZHRJ-UHFFFAOYSA-N 0 0 384.411 4.328 10 0 GIAERN Cc1ccc(C(=O)Nc2nn(Cc3ccccc3F)cc2Br)s1 ZINC000032609648 206091560 /nfs/dbraw/zinc/09/15/60/206091560.db2.gz MQBDNCNWPVNDFN-UHFFFAOYSA-N 0 0 394.269 4.455 10 0 GIAERN COc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1OC ZINC000032610083 206091656 /nfs/dbraw/zinc/09/16/56/206091656.db2.gz AVHRCBHKAXQJDJ-UHFFFAOYSA-N 0 0 379.460 4.126 10 0 GIAERN COc1ccc(-c2c(F)cccc2OC)c(F)c1I ZINC000253495285 206149797 /nfs/dbraw/zinc/14/97/97/206149797.db2.gz UYZLAEPFAYJXSH-UHFFFAOYSA-N 0 0 376.140 4.254 10 0 GIAERN Ic1ccc2ccccc2c1I ZINC000096328862 206223189 /nfs/dbraw/zinc/22/31/89/206223189.db2.gz UYHYZAYIQAVJCN-UHFFFAOYSA-N 0 0 379.966 4.049 10 0 GIAERN COc1cc(/C=C/C(=O)Nc2nc3c(cccc3C)s2)cc(OC)c1OC ZINC000007725239 206221517 /nfs/dbraw/zinc/22/15/17/206221517.db2.gz OGUOZYQRQSKMDD-CMDGGOBGSA-N 0 0 384.457 4.282 10 0 GIAERN COc1ccccc1NCc1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000008597453 221045395 /nfs/dbraw/zinc/04/53/95/221045395.db2.gz BOCJPUDGNJOXLB-UHFFFAOYSA-N 0 0 383.521 4.330 10 0 GIAERN COc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409416288 533481695 /nfs/dbraw/zinc/48/16/95/533481695.db2.gz ZYOJMVQLGOSSIG-DAXSKMNVSA-N 0 0 396.668 4.189 10 0 GIAERN Cc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cc(C)ccc3C)CC2)o1 ZINC000103291394 136191141 /nfs/dbraw/zinc/19/11/41/136191141.db2.gz KHUUTRLZAQAMOA-UHFFFAOYSA-N 0 0 393.462 4.368 10 0 GIAERN CCCC(=O)Nc1ccc2c(c1)C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)CO2 ZINC000065081810 222099490 /nfs/dbraw/zinc/09/94/90/222099490.db2.gz VMCXXQMJRZVVQZ-PXNSSMCTSA-N 0 0 394.515 4.114 10 0 GIAERN COc1cc(OC)c2c(c1)n(Cc1ccccc1)cc(C(=O)c1ccccc1)c2=O ZINC000085346420 522836870 /nfs/dbraw/zinc/83/68/70/522836870.db2.gz KGTZKOHYPKFVOC-UHFFFAOYSA-N 0 0 399.446 4.298 10 0 GIAERN COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000057341780 523090171 /nfs/dbraw/zinc/09/01/71/523090171.db2.gz HOSANDRWYIEENU-UHFFFAOYSA-N 0 0 377.322 4.088 10 0 GIAERN CCOc1cc(C(C)=O)ccc1OCCCOc1ccc(C(C)=O)cc1OC ZINC000504786823 528239356 /nfs/dbraw/zinc/23/93/56/528239356.db2.gz ALHUJISDLAJHLL-UHFFFAOYSA-N 0 0 386.444 4.347 10 0 GIAERN CCCCC[C@H](C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000015256943 528270965 /nfs/dbraw/zinc/27/09/65/528270965.db2.gz PXBFKEHWQRAQQD-RTBURBONSA-N 0 0 380.481 4.167 10 0 endogenous,in-man GIAERN CCCCOC(=O)[C@@H]1CC[C@H](OCc2ccccc2)N1C(=O)OC(C)(C)C ZINC000504807707 528563433 /nfs/dbraw/zinc/56/34/33/528563433.db2.gz KTSYWVGNHOGWHT-ROUUACIJSA-N 0 0 377.481 4.272 10 0 GIAERN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000005350962 560201394 /nfs/dbraw/zinc/20/13/94/560201394.db2.gz OVUOVMIMOCJILI-KFZANIOBSA-N 0 0 384.516 4.162 10 0 in-vitro GIAERN Cc1ccccc1NNC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000020418906 570255260 /nfs/dbraw/zinc/25/52/60/570255260.db2.gz MGVVTDMVHWFETO-UHFFFAOYSA-N 0 0 391.315 4.162 10 0 GIAERN COCOc1cc2c(cc1O)[C@H]1CC[C@]3(C)[C@@H](OCOC)CC[C@H]3[C@@H]1CC2 ZINC000022060365 570303576 /nfs/dbraw/zinc/30/35/76/570303576.db2.gz XXXVHIQGIYOGRK-HIFDQRORSA-N 0 0 376.493 4.220 10 0 in-vitro GIAERN COc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(N(C)C(C)C)n21 ZINC000034699545 570305774 /nfs/dbraw/zinc/30/57/74/570305774.db2.gz LXXLQHLASNKKDP-UHFFFAOYSA-N 0 0 381.867 4.451 10 0 GIAERN COc1cccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)n(C)n2)c1 ZINC000035725826 570425716 /nfs/dbraw/zinc/42/57/16/570425716.db2.gz DIVAZISAMGAXQB-UHFFFAOYSA-N 0 0 389.377 4.045 10 0 GIAERN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CSCN1C(=O)Nc1ccccc1 ZINC000097123852 570897578 /nfs/dbraw/zinc/89/75/78/570897578.db2.gz NFJCZPCPBYKLGU-HNNXBMFYSA-N 0 0 395.406 4.251 10 0 GIAERN Cc1cc2c(nc(C)nc2CN2C=CC(I)C=C2)s1 ZINC000585087302 570918352 /nfs/dbraw/zinc/91/83/52/570918352.db2.gz JKQTVXKICZDDOO-UHFFFAOYSA-N 0 0 382.250 4.118 10 0 GIAERN CCCOC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1 ZINC000018244975 570952133 /nfs/dbraw/zinc/95/21/33/570952133.db2.gz HBHBWRAGHYNPIV-QMMLZNLJSA-N 0 0 391.467 4.327 10 0 GIAERN CCn1c(=O)c(CSc2ccc(F)cc2)nnc1Nc1ccc(Cl)cc1 ZINC000334161862 203783928 /nfs/dbraw/zinc/78/39/28/203783928.db2.gz GFFWEMXAEBEPOG-UHFFFAOYSA-N 0 0 390.871 4.487 10 0 GIAERN S=C(NN=c1[nH]c2ccccc2s1)Nc1ccc(Br)cc1 ZINC000090742020 203830579 /nfs/dbraw/zinc/83/05/79/203830579.db2.gz PGXUFFTWGHJXRX-UHFFFAOYSA-N 0 0 379.308 4.372 10 0 GIAERN O=C(Nc1nc2c(cc(Cl)cc2Cl)s1)[C@@H]1COc2ccccc2O1 ZINC000004331451 204038720 /nfs/dbraw/zinc/03/87/20/204038720.db2.gz UUSHZEGDOUSJBY-LBPRGKRZSA-N 0 0 381.240 4.382 10 0 GIAERN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)c2cnccn2)cc1 ZINC000003625466 204015682 /nfs/dbraw/zinc/01/56/82/204015682.db2.gz VBXPOULIUHQLBI-OAQYLSRUSA-N 0 0 388.471 4.052 10 0 GIAERN CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(Cl)c2c1C ZINC000003887732 204020520 /nfs/dbraw/zinc/02/05/20/204020520.db2.gz QLPAIOPDWBRDBZ-UHFFFAOYSA-N 0 0 376.865 4.429 10 0 GIAERN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000004873395 204084822 /nfs/dbraw/zinc/08/48/22/204084822.db2.gz CDJQEXMYODTYJM-OAHLLOKOSA-N 0 0 377.469 4.269 10 0 GIAERN Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)N1CCCC1 ZINC000004904789 204088592 /nfs/dbraw/zinc/08/85/92/204088592.db2.gz OJDZHDNRASWHNO-UHFFFAOYSA-N 0 0 377.488 4.234 10 0 GIAERN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3N2)cc1 ZINC000004953115 204096275 /nfs/dbraw/zinc/09/62/75/204096275.db2.gz OSYQFMKIPFUJKI-ZBFHGGJFSA-N 0 0 378.398 4.088 10 0 GIAERN COc1cc(OC)c([C@@H]2CC=Cc3c(OC)cc(OC)c(OC)c32)cc1OC ZINC000005811260 204152592 /nfs/dbraw/zinc/15/25/92/204152592.db2.gz HEVCGGWNZOCYBP-ZDUSSCGKSA-N 0 0 386.444 4.287 10 0 GIAERN COc1cc(/C=C\C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000006089924 204164845 /nfs/dbraw/zinc/16/48/45/204164845.db2.gz CAELBZYZMXOGHW-FPLPWBNLSA-N 0 0 381.350 4.383 10 0 GIAERN COC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 ZINC000005528148 204137083 /nfs/dbraw/zinc/13/70/83/204137083.db2.gz XKNYKWKPUBDPMN-CYBMUJFWSA-N 0 0 387.501 4.239 10 0 GIAERN O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 ZINC000005685335 204146431 /nfs/dbraw/zinc/14/64/31/204146431.db2.gz KAHQMKLMAVPFFF-UHFFFAOYSA-N 0 0 377.783 4.360 10 0 GIAERN Cc1nn([C@@H](C)C(=O)N(C)Cc2ccccc2)c(=O)c2c3ccccc3sc21 ZINC000006799031 204207059 /nfs/dbraw/zinc/20/70/59/204207059.db2.gz LUTIFSVEKCWURN-HNNXBMFYSA-N 0 0 391.496 4.139 10 0 GIAERN CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccsc2)[C@H]1c1cccs1 ZINC000006875510 204218072 /nfs/dbraw/zinc/21/80/72/204218072.db2.gz YYPPCBHVBLGAOZ-RBUKOAKNSA-N 0 0 396.537 4.079 10 0 GIAERN Cc1cccc2sc(NC(=O)COc3cccc(Br)c3)nc21 ZINC000006259924 204173067 /nfs/dbraw/zinc/17/30/67/204173067.db2.gz CWHXXCIJWRAAAD-UHFFFAOYSA-N 0 0 377.263 4.385 10 0 GIAERN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C)ccc1OC ZINC000006395206 204177177 /nfs/dbraw/zinc/17/71/77/204177177.db2.gz JOXRETMCWHQHKV-WEVVVXLNSA-N 0 0 376.250 4.427 10 0 GIAERN CCn1cc([C@@H](CC(=O)NC2CC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000006724657 204195762 /nfs/dbraw/zinc/19/57/62/204195762.db2.gz ZPJLWOWUXQVDCW-NRFANRHFSA-N 0 0 392.499 4.479 10 0 GIAERN CCOc1ccccc1CNC(=O)c1ccc(C[S@](=O)c2ccccc2C)o1 ZINC000006895419 204221142 /nfs/dbraw/zinc/22/11/42/204221142.db2.gz LWOVHVOPFWOZKA-MUUNZHRXSA-N 0 0 397.496 4.225 10 0 GIAERN O=C(NCc1cccnc1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006899802 204222818 /nfs/dbraw/zinc/22/28/18/204222818.db2.gz ASTCHWKOGUJNKZ-UHFFFAOYSA-N 0 0 380.879 4.255 10 0 GIAERN CCc1nc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2nc1CC ZINC000006917942 204224273 /nfs/dbraw/zinc/22/42/73/204224273.db2.gz KPABIBZEZNHAOQ-AWEZNQCLSA-N 0 0 391.471 4.017 10 0 GIAERN O=S(=O)(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1cccc(Cl)c1 ZINC000038319271 204245035 /nfs/dbraw/zinc/24/50/35/204245035.db2.gz VUTMBVULMDKRAY-UHFFFAOYSA-N 0 0 396.255 4.377 10 0 GIAERN CN(Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CCC3)C2(C)C)no1)c1ccccc1 ZINC000067890132 204259169 /nfs/dbraw/zinc/25/91/69/204259169.db2.gz PKVHQUXITLCHCA-UTKZUKDTSA-N 0 0 381.520 4.185 10 0 GIAERN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCCc1ccccc1 ZINC000009269037 204306191 /nfs/dbraw/zinc/30/61/91/204306191.db2.gz BAQWYAQNBKSQQW-UHFFFAOYSA-N 0 0 384.501 4.124 10 0 GIAERN COc1cc(-c2cc(-c3cccs3)c3c(N)ncnc3n2)cc(OC)c1OC ZINC000009694476 204321048 /nfs/dbraw/zinc/32/10/48/204321048.db2.gz GFAPCQGMAQLKKP-UHFFFAOYSA-N 0 0 394.456 4.028 10 0 GIAERN CS(=O)(=O)c1ccc(-c2ccc3c(C=O)cn(CC4CCCCC4)c3n2)cc1 ZINC000011689161 204351255 /nfs/dbraw/zinc/35/12/55/204351255.db2.gz JGPUKFBJUAKBTF-UHFFFAOYSA-N 0 0 396.512 4.500 10 0 GIAERN C=Cc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)cc1 ZINC000011782899 204352640 /nfs/dbraw/zinc/35/26/40/204352640.db2.gz VBDFXJJJIWAXHA-IBGZPJMESA-N 0 0 391.858 4.174 10 0 GIAERN COCc1ccc(CN2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)o1 ZINC000012162229 204378081 /nfs/dbraw/zinc/37/80/81/204378081.db2.gz DBKFGQCHKYNZTN-QHCPKHFHSA-N 0 0 393.483 4.097 10 0 GIAERN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c(F)c1 ZINC000011933587 204362142 /nfs/dbraw/zinc/36/21/42/204362142.db2.gz YHBRYXPYZOEKQF-JOCHJYFZSA-N 0 0 376.435 4.186 10 0 GIAERN COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)no1 ZINC000012159006 204378536 /nfs/dbraw/zinc/37/85/36/204378536.db2.gz IVFCYQQGZDKKRH-FQEVSTJZSA-N 0 0 376.456 4.446 10 0 GIAERN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000012198933 204380582 /nfs/dbraw/zinc/38/05/82/204380582.db2.gz ZUOBMFCJXHCERM-UHFFFAOYSA-N 0 0 386.517 4.436 10 0 GIAERN CCn1c(CNc2ccc(I)cc2)nc2ccccc21 ZINC000038046721 204788585 /nfs/dbraw/zinc/78/85/85/204788585.db2.gz WQWAEDGEMRKCQY-UHFFFAOYSA-N 0 0 377.229 4.273 10 0 GIAERN COc1ccc(-c2nnn(CSC)c2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000032611872 204914765 /nfs/dbraw/zinc/91/47/65/204914765.db2.gz RGNZCVHPXMAGHV-UHFFFAOYSA-N 0 0 388.880 4.180 10 0 GIAERN COc1cccc([C@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccccc2)c1 ZINC000032986944 204936655 /nfs/dbraw/zinc/93/66/55/204936655.db2.gz BVJAFGBDUJAELN-QFIPXVFZSA-N 0 0 394.496 4.053 10 0 GIAERN CCCn1c2nnc(SCc3cccc(F)c3)n2c2ccc(C)cc2c1=O ZINC000033256489 204952127 /nfs/dbraw/zinc/95/21/27/204952127.db2.gz YDPXEYRHVCECOE-UHFFFAOYSA-N 0 0 382.464 4.194 10 0 GIAERN CCN(Cc1ccccc1)C(=O)c1cccc(-c2nccnc2N2CCCC2)c1 ZINC000033312969 204958837 /nfs/dbraw/zinc/95/88/37/204958837.db2.gz ODIMWYLNACETTJ-UHFFFAOYSA-N 0 0 386.499 4.406 10 0 GIAERN COc1cccc([C@H](CC(=O)NCc2ccco2)c2cnc3n2[C@H](C)CCC3)c1 ZINC000034919234 204981085 /nfs/dbraw/zinc/98/10/85/204981085.db2.gz LWQLUEOFWCJNQZ-UZLBHIALSA-N 0 0 393.487 4.220 10 0 GIAERN O=C(c1cc2sc(Br)cc2n1C[C@@H]1CCCCO1)N1CCCC1 ZINC000037542518 205028799 /nfs/dbraw/zinc/02/87/99/205028799.db2.gz BYOXTZWXPKRBOK-LBPRGKRZSA-N 0 0 397.338 4.270 10 0 GIAERN O=C(NCc1ccco1)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C2CCCC2)C1 ZINC000037546023 205028875 /nfs/dbraw/zinc/02/88/75/205028875.db2.gz YIPYJPGQMZOJBJ-TZIWHRDSSA-N 0 0 380.488 4.066 10 0 GIAERN COc1ccc(-c2nc(-c3ccncc3)ncc2C(=O)NC2CCCCC2)cc1 ZINC000040455743 205066186 /nfs/dbraw/zinc/06/61/86/205066186.db2.gz XCZNABRBTNEBTE-UHFFFAOYSA-N 0 0 388.471 4.277 10 0 GIAERN CC[C@H]1C(=O)NCCN1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000055100273 205143847 /nfs/dbraw/zinc/14/38/47/205143847.db2.gz FUSSCZQVVQIIPW-NRFANRHFSA-N 0 0 375.472 4.027 10 0 GIAERN O[C@H](c1cccnc1)c1ccc2c(c1)CN(Cc1ccccc1Cl)CCO2 ZINC000055099228 205144142 /nfs/dbraw/zinc/14/41/42/205144142.db2.gz NHVIMKYZRBRLJH-QFIPXVFZSA-N 0 0 380.875 4.211 10 0 GIAERN Cc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)o1 ZINC000065004493 205206635 /nfs/dbraw/zinc/20/66/35/205206635.db2.gz JGYPABFTXOZKAS-UHFFFAOYSA-N 0 0 378.475 4.051 10 0 GIAERN CC(C)(C)C(=O)Nc1ccc(OCc2cc(C(=O)NC3CCCCC3)no2)cc1 ZINC000065027269 205207746 /nfs/dbraw/zinc/20/77/46/205207746.db2.gz HNHHVPTVRDFUCY-UHFFFAOYSA-N 0 0 399.491 4.301 10 0 GIAERN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)N[C@H](C)c1ccccc1 ZINC000065194778 205217041 /nfs/dbraw/zinc/21/70/41/205217041.db2.gz VEQPIZMTZXMWGF-OAHLLOKOSA-N 0 0 378.476 4.300 10 0 GIAERN Cc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1C1CCCC1 ZINC000065075034 205210100 /nfs/dbraw/zinc/21/01/00/205210100.db2.gz SQHNXRAFFGDOMZ-DEOSSOPVSA-N 0 0 376.500 4.011 10 0 GIAERN CCCCN(C)C(=O)c1cnc(-c2ccc(OC)cc2)nc1-c1ccncc1 ZINC000065153947 205213928 /nfs/dbraw/zinc/21/39/28/205213928.db2.gz YMCYGDUNHKBBJS-UHFFFAOYSA-N 0 0 376.460 4.086 10 0 GIAERN C[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1)c1cccnc1 ZINC000065153772 205214455 /nfs/dbraw/zinc/21/44/55/205214455.db2.gz XSZHUEDJGIALLC-MRXNPFEDSA-N 0 0 381.439 4.092 10 0 GIAERN CC(C)C(=O)NCc1csc([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)n1 ZINC000065173251 205215211 /nfs/dbraw/zinc/21/52/11/205215211.db2.gz ZLCUCRZCLHIIQX-QGZVFWFLSA-N 0 0 391.581 4.092 10 0 GIAERN COc1ccc(CN2CCCn3nc(-c4ccc(C)cc4)cc3C2)cc1OC ZINC000065270461 205225198 /nfs/dbraw/zinc/22/51/98/205225198.db2.gz XHRZTTPILZLRLU-UHFFFAOYSA-N 0 0 377.488 4.282 10 0 GIAERN O=C(N[C@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1)C1CCCCC1 ZINC000065203021 205218419 /nfs/dbraw/zinc/21/84/19/205218419.db2.gz TVPAJGRLHJNELG-LJQANCHMSA-N 0 0 382.508 4.040 10 0 GIAERN Cc1c2ccccc2[nH]c1C(=O)N1CCc2onc(-c3ccccc3F)c2C1 ZINC000067754814 205258649 /nfs/dbraw/zinc/25/86/49/205258649.db2.gz UGSFOJMJVFKZRI-UHFFFAOYSA-N 0 0 375.403 4.469 10 0 GIAERN COc1ccc2cc([C@@H]3CN(Cc4cnn(C)c4C4CC4)CCO3)ccc2c1 ZINC000071767637 205296015 /nfs/dbraw/zinc/29/60/15/205296015.db2.gz USAZWOIQHGRYQP-QFIPXVFZSA-N 0 0 377.488 4.033 10 0 GIAERN Cc1nnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(Cl)cc1 ZINC000071261389 205279044 /nfs/dbraw/zinc/27/90/44/205279044.db2.gz FNWDHSYGCHIINF-MRXNPFEDSA-N 0 0 376.888 4.360 10 0 GIAERN COC(=O)c1c(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)nc1Cl ZINC000091351964 205411885 /nfs/dbraw/zinc/41/18/85/205411885.db2.gz VPQLFSWFKWEFSC-UHFFFAOYSA-N 0 0 398.271 4.070 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3ccccc3nc2NC2CC2)C1 ZINC000095085413 205437605 /nfs/dbraw/zinc/43/76/05/205437605.db2.gz MKPHLDRZBRZANV-OAHLLOKOSA-N 0 0 398.507 4.230 10 0 GIAERN Nc1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)c(Br)c1 ZINC000226304335 205688314 /nfs/dbraw/zinc/68/83/14/205688314.db2.gz QNUZMZBXVNHKPB-UHFFFAOYSA-N 0 0 383.245 4.494 10 0 GIAERN COc1cc(C(N)=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000226325371 205689506 /nfs/dbraw/zinc/68/95/06/205689506.db2.gz JUSVRLDLSJPUOJ-UHFFFAOYSA-N 0 0 386.245 4.289 10 0 GIAERN CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)Nc1ccccc1 ZINC000005415376 205811927 /nfs/dbraw/zinc/81/19/27/205811927.db2.gz SGESOPSDOPRVFE-HOTGVXAUSA-N 0 0 385.895 4.252 10 0 GIAERN Cc1ccc(Cn2cc(Br)c(NC(=O)Cc3ccccc3)n2)cc1 ZINC000027917087 206018913 /nfs/dbraw/zinc/01/89/13/206018913.db2.gz CPYCCLFICFIINS-UHFFFAOYSA-N 0 0 384.277 4.184 10 0 GIAERN COc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(OC)cc1Cl ZINC000027976917 206023991 /nfs/dbraw/zinc/02/39/91/206023991.db2.gz BIXDPYFXFQLWDF-UHFFFAOYSA-N 0 0 385.851 4.412 10 0 GIAERN COc1ccc2nc(NC(=O)c3ccc(Cn4cc(Cl)cn4)o3)sc2c1 ZINC000027982299 206024454 /nfs/dbraw/zinc/02/44/54/206024454.db2.gz VTAKAEFEYYPTNV-UHFFFAOYSA-N 0 0 388.836 4.048 10 0 GIAERN CC(=O)c1cccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)c1 ZINC000027643058 206032222 /nfs/dbraw/zinc/03/22/22/206032222.db2.gz HQPSOHFRYDALQE-UHFFFAOYSA-N 0 0 392.438 4.301 10 0 GIAERN O=C(Cc1ccc(Cl)cc1)Nc1ccc(-n2cc(Br)cn2)cc1 ZINC000028247239 206040054 /nfs/dbraw/zinc/04/00/54/206040054.db2.gz XOSASIIZODPAPU-UHFFFAOYSA-N 0 0 390.668 4.469 10 0 GIAERN COc1cccc(Cn2nc(C)c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C)c1 ZINC000032609754 206090229 /nfs/dbraw/zinc/09/02/29/206090229.db2.gz PYCKTILSOOOKEW-RTWAWAEBSA-N 0 0 375.472 4.299 10 0 GIAERN Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)Cc1ccc(F)cc1 ZINC000032610177 206091152 /nfs/dbraw/zinc/09/11/52/206091152.db2.gz DFHGDVYAXKGFBN-UHFFFAOYSA-N 0 0 389.377 4.135 10 0 GIAERN Cc1cc(C(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)c(C)o1 ZINC000032610168 206091636 /nfs/dbraw/zinc/09/16/36/206091636.db2.gz WASKVMMMYQXGAK-UHFFFAOYSA-N 0 0 375.375 4.277 10 0 GIAERN CCCCC[C@@H]1O[C@H]1CCCCCC/C=C/C=C/C=C\C(=O)OC(CO)CO ZINC000256078440 206151403 /nfs/dbraw/zinc/15/14/03/206151403.db2.gz FPGUPMILQWFADI-DIHXUUEQSA-N 0 0 394.552 4.240 10 0 GIAERN C[C@@H](NC(=O)/C=C\c1ccccc1F)c1ccc2c(c1)N(CC1CC1)CCO2 ZINC000098088087 206225555 /nfs/dbraw/zinc/22/55/55/206225555.db2.gz IDFFOPPWSLCCAA-HGPCXVNDSA-N 0 0 380.463 4.325 10 0 GIAERN Cc1cc2nc(CSc3ccccc3NC(=O)c3cccs3)cc(=O)n2o1 ZINC000007007224 206222031 /nfs/dbraw/zinc/22/20/31/206222031.db2.gz LTSBWQMJIMHUNB-UHFFFAOYSA-N 0 0 397.481 4.202 10 0 GIAERN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023641 136158656 /nfs/dbraw/zinc/15/86/56/136158656.db2.gz ATMAHGDUNZCCDI-QGZVFWFLSA-N 0 0 376.435 4.138 10 0 GIAERN CC(C)N1Cc2cc(C(=O)NCCCN3CCCc4ccccc43)sc2C1 ZINC000065238771 136160992 /nfs/dbraw/zinc/16/09/92/136160992.db2.gz VYCFOKKSTREREP-UHFFFAOYSA-N 0 0 383.561 4.045 10 0 GIAERN Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2ccc(Cl)cn2)o1 ZINC000027934897 221664211 /nfs/dbraw/zinc/66/42/11/221664211.db2.gz UIDPUHBJSDCALA-UHFFFAOYSA-N 0 0 384.745 4.152 10 0 GIAERN COc1ccccc1Oc1cc(-c2cccc(C(=O)NC(C)(C)C)c2)ncn1 ZINC000064578440 222075265 /nfs/dbraw/zinc/07/52/65/222075265.db2.gz ONRGGGUPLGXFTN-UHFFFAOYSA-N 0 0 377.444 4.473 10 0 GIAERN CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](C)C1 ZINC000073657164 520007545 /nfs/dbraw/zinc/00/75/45/520007545.db2.gz AMZJLRODNSYOII-SJLPKXTDSA-N 0 0 376.497 4.433 10 0 GIAERN COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(Br)c(C)c3)n2)cc1 ZINC000057341454 523088991 /nfs/dbraw/zinc/08/89/91/523088991.db2.gz XJIFBLMAEFBFNU-UHFFFAOYSA-N 0 0 386.249 4.260 10 0 GIAERN Fc1ccc(CNc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)cc1 ZINC000057343698 526341922 /nfs/dbraw/zinc/34/19/22/526341922.db2.gz JFPHSEUBQWDSGM-UHFFFAOYSA-N 0 0 382.870 4.440 10 0 GIAERN COc1ccccc1CCC(=O)Nc1ccc2ncnc(N3CCCCC3)c2c1 ZINC000065149145 537027651 /nfs/dbraw/zinc/02/76/51/537027651.db2.gz CHVXBTFPRGQGNY-UHFFFAOYSA-N 0 0 390.487 4.200 10 0 GIAERN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCC[C@@H]4C)c3)n2)o1 ZINC000023324178 570286436 /nfs/dbraw/zinc/28/64/36/570286436.db2.gz QVMRTIGURXQAEX-HNNXBMFYSA-N 0 0 393.491 4.054 10 0 GIAERN COc1ccc(NC(=O)C[C@H]2C[C@H](C(=O)Nc3ccc(OC)cc3)C2(C)C)cc1 ZINC000003172183 570331574 /nfs/dbraw/zinc/33/15/74/570331574.db2.gz CVSJDFICMNTSJM-FOIQADDNSA-N 0 0 396.487 4.333 10 0 GIAERN CC[C@@H](C(=O)Nc1ccc2c(c1)CN(C(C)C)C(=O)[C@@H](C)O2)c1ccccc1 ZINC000035873487 570343559 /nfs/dbraw/zinc/34/35/59/570343559.db2.gz DMEQFJAJPCRVKB-OXQOHEQNSA-N 0 0 380.488 4.337 10 0 GIAERN CNC(=O)Nc1ccc(C2(C(=O)Nc3ccc(Cl)cc3F)CCC2)cc1 ZINC000065029606 570650703 /nfs/dbraw/zinc/65/07/03/570650703.db2.gz FRQASSYXQMVXLY-UHFFFAOYSA-N 0 0 375.831 4.291 10 0 GIAERN CC(C)(C)OC(=O)NCCN1Sc2cccc(Br)c2S1 ZINC000521399922 570954409 /nfs/dbraw/zinc/95/44/09/570954409.db2.gz CEMBYSJAHCZVHJ-UHFFFAOYSA-N 0 0 377.329 4.304 10 0 GIAERN CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCC1CCCCC1 ZINC000026951807 581096937 /nfs/dbraw/zinc/09/69/37/581096937.db2.gz NSEWQAAURSWQID-GOSISDBHSA-N 0 0 379.541 4.277 10 0 GIAERN COc1cc(OC)c([C@@H]2CC[C@@H]2c2cc(OC)c(OC)cc2OC)cc1OC ZINC000018270560 291138149 /nfs/dbraw/zinc/13/81/49/291138149.db2.gz JSEZFCVVWRJUJW-OKILXGFUSA-N 0 0 388.460 4.399 10 0 biogenic,in-vitro GIAERN CCOC(=O)c1ccc(NC(=O)CSc2ccccc2-n2cccc2)cc1 ZINC000035682742 203787627 /nfs/dbraw/zinc/78/76/27/203787627.db2.gz FVOMJAKOHKMASE-UHFFFAOYSA-N 0 0 380.469 4.385 10 0 GIAERN COc1cc(CO)cc(CSC)c1OC(=O)c1cccc(Br)c1 ZINC000226288946 203791831 /nfs/dbraw/zinc/79/18/31/203791831.db2.gz VGJKIKDGDLWGRY-UHFFFAOYSA-N 0 0 397.290 4.032 10 0 GIAERN CCn1ccc2cc(C3=NC[C@@H](c4cc(OC)c(OC)c(OC)c4)O3)ccc21 ZINC000027524737 203835146 /nfs/dbraw/zinc/83/51/46/203835146.db2.gz HLMDHNPTVWKIEP-FQEVSTJZSA-N 0 0 380.444 4.205 10 0 GIAERN C[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N(C)C1=O ZINC000033895898 203838166 /nfs/dbraw/zinc/83/81/66/203838166.db2.gz IFBWQIMNVMDGCK-SNVBAGLBSA-N 0 0 377.669 4.305 10 0 GIAERN COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)Oc1ccc(Cl)cc1Cl ZINC000001038806 203822756 /nfs/dbraw/zinc/82/27/56/203822756.db2.gz MQLSNTVRNGTCEU-SJKOYZFVSA-N 0 0 381.211 4.212 10 0 GIAERN CCOC(=O)c1cc2ccc(Cl)cc2n1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003654319 203823187 /nfs/dbraw/zinc/82/31/87/203823187.db2.gz ADTFTWKEILGKFY-UHFFFAOYSA-N 0 0 398.267 4.362 10 0 GIAERN Cc1c(NCC(=O)c2ccc(-c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003614009 203823542 /nfs/dbraw/zinc/82/35/42/203823542.db2.gz QISFIVUBOSXDFW-UHFFFAOYSA-N 0 0 397.478 4.446 10 0 GIAERN O=c1c2ccccc2n2c(-c3ccccc3F)nnc2n1CCc1ccccc1 ZINC000004193498 204032824 /nfs/dbraw/zinc/03/28/24/204032824.db2.gz YVCOFBMUDQZMPG-UHFFFAOYSA-N 0 0 384.414 4.093 10 0 GIAERN COc1ccc(OC)c(CNC(=O)c2cc3c(o2)c2ccccc2nc3C)c1 ZINC000004902499 204088133 /nfs/dbraw/zinc/08/81/33/204088133.db2.gz KICDUGJDXHRJOP-UHFFFAOYSA-N 0 0 376.412 4.237 10 0 GIAERN CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000004600143 204057134 /nfs/dbraw/zinc/05/71/34/204057134.db2.gz VGNAYAJWCDCBSH-KCXAZCMYSA-N 0 0 380.282 4.312 10 0 GIAERN Cc1cnc(NC(=O)CN(CC2CC2)C(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000004955578 204095926 /nfs/dbraw/zinc/09/59/26/204095926.db2.gz CWROAIJEJRNGND-UHFFFAOYSA-N 0 0 385.533 4.240 10 0 GIAERN Fc1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2ccncc2)cc1Cl ZINC000005898698 204155373 /nfs/dbraw/zinc/15/53/73/204155373.db2.gz SGRCDGIOPHIFDB-OAHLLOKOSA-N 0 0 379.888 4.252 10 0 GIAERN CSc1nnc(S[C@H](C)C(=O)c2ccc(Br)cc2)s1 ZINC000006149297 204169204 /nfs/dbraw/zinc/16/92/04/204169204.db2.gz QBIWIBYSSVUFSV-SSDOTTSWSA-N 0 0 375.338 4.386 10 0 GIAERN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(N3CCOCC3)c2)cc1 ZINC000005360754 204128902 /nfs/dbraw/zinc/12/89/02/204128902.db2.gz ZFCNIWRBSSYWHI-UHFFFAOYSA-N 0 0 376.456 4.269 10 0 GIAERN COC(=O)c1cc(Cl)c(NC(=O)c2cccc(Br)c2)cc1OC ZINC000005661008 204143908 /nfs/dbraw/zinc/14/39/08/204143908.db2.gz WECLPGDPYVVTHQ-UHFFFAOYSA-N 0 0 398.640 4.150 10 0 GIAERN Cc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1 ZINC000006875266 204218051 /nfs/dbraw/zinc/21/80/51/204218051.db2.gz TXORPTFMQXLXST-SFTDATJTSA-N 0 0 390.508 4.283 10 0 GIAERN Cc1ccc2c(c1)N(CC(=O)N[C@H](C)c1ccccc1)C(=O)c1cccnc1O2 ZINC000006878043 204218352 /nfs/dbraw/zinc/21/83/52/204218352.db2.gz PZOTYBXPHHLAKH-MRXNPFEDSA-N 0 0 387.439 4.020 10 0 GIAERN Cc1cc(NC(=S)N(Cc2ccccn2)C[C@H]2CCCO2)ccc1Cl ZINC000006386409 204176698 /nfs/dbraw/zinc/17/66/98/204176698.db2.gz YHDSWLMGCXENFC-QGZVFWFLSA-N 0 0 375.925 4.421 10 0 GIAERN CCn1cc([C@@H](CC(=O)NC2CC2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000006713928 204194881 /nfs/dbraw/zinc/19/48/81/204194881.db2.gz QKDSMZBIKLELID-SFHVURJKSA-N 0 0 376.456 4.191 10 0 GIAERN O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCCC1 ZINC000008513642 204278419 /nfs/dbraw/zinc/27/84/19/204278419.db2.gz SBLJRTWCTCFWDW-UHFFFAOYSA-N 0 0 377.410 4.396 10 0 GIAERN Fc1ccc(-c2cnnc(N3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000011753839 204353019 /nfs/dbraw/zinc/35/30/19/204353019.db2.gz PRYPNJQUAQNWCW-HNNXBMFYSA-N 0 0 375.407 4.203 10 0 GIAERN O=C(c1noc2c1CCCC2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000011933893 204362846 /nfs/dbraw/zinc/36/28/46/204362846.db2.gz MENYGPOSBAICNX-HSZRJFAPSA-N 0 0 398.466 4.218 10 0 GIAERN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2ccccc2)C3)s1 ZINC000012182012 204378277 /nfs/dbraw/zinc/37/82/77/204378277.db2.gz KZDUIQWVZMZPPH-QGZVFWFLSA-N 0 0 395.455 4.490 10 0 GIAERN O=C(Cc1ccc(F)cc1Cl)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 ZINC000012039312 204368316 /nfs/dbraw/zinc/36/83/16/204368316.db2.gz RTUNSVCNFJFUSH-GOSISDBHSA-N 0 0 396.849 4.204 10 0 GIAERN C[C@H](c1cc(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)on1)c1ccccc1 ZINC000012242498 204386366 /nfs/dbraw/zinc/38/63/66/204386366.db2.gz IMTZZQZMGOKZHE-LBPRGKRZSA-N 0 0 380.835 4.286 10 0 GIAERN O=C(CCc1ccccc1)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012314973 204394726 /nfs/dbraw/zinc/39/47/26/204394726.db2.gz QXHFMJDVOFJDGY-HXUWFJFHSA-N 0 0 381.426 4.277 10 0 GIAERN COc1ccc2c(c1)oc(-c1ccccc1)c(I)c2=O ZINC000021997163 204772094 /nfs/dbraw/zinc/77/20/94/204772094.db2.gz RJQATBUVOUJVFN-UHFFFAOYSA-N 0 0 378.165 4.073 10 0 GIAERN CCCN(C)C(=O)/C=C1/Sc2ccccc2N(Cc2cccc(OC)c2)C1=O ZINC000022646206 204785632 /nfs/dbraw/zinc/78/56/32/204785632.db2.gz MPBDCYGDMKPRHS-XSFVSMFZSA-N 0 0 396.512 4.086 10 0 GIAERN Cc1cc([C@H]2C[C@@H](C(=O)Nc3ccccc3)CN(C(=O)NC(C)C)C2)ccc1F ZINC000034716231 204973545 /nfs/dbraw/zinc/97/35/45/204973545.db2.gz XCKPINVSVMGNOA-RBUKOAKNSA-N 0 0 397.494 4.296 10 0 GIAERN C/C=C\Cn1c(C(=O)NCCOC)cc2c1cccc2OCc1ccccc1 ZINC000035928819 204998351 /nfs/dbraw/zinc/99/83/51/204998351.db2.gz CWJSDBDIUZBUTD-ARJAWSKDSA-N 0 0 378.472 4.173 10 0 GIAERN Cc1nn(-c2ccccc2)c2ncc3c(c12)C(=O)N(c1ccc(Cl)cc1)C3=O ZINC000036478758 205017724 /nfs/dbraw/zinc/01/77/24/205017724.db2.gz FOQDXVCBJUAIOG-UHFFFAOYSA-N 0 0 388.814 4.183 10 0 GIAERN O=C(Nc1ccccc1Cl)c1ncoc1-c1ccccc1C(=O)N1CCCC1 ZINC000065079757 205209586 /nfs/dbraw/zinc/20/95/86/205209586.db2.gz JHERYXNTMGZNQG-UHFFFAOYSA-N 0 0 395.846 4.483 10 0 GIAERN COc1ccccc1C(=O)N1CCC[C@H](c2ccnc(-c3cccc(C)c3)n2)C1 ZINC000065135348 205212152 /nfs/dbraw/zinc/21/21/52/205212152.db2.gz KIKUPCFGJZUVML-IBGZPJMESA-N 0 0 387.483 4.480 10 0 GIAERN CCCc1nc2cccnc2n1C1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000064002235 205189555 /nfs/dbraw/zinc/18/95/55/205189555.db2.gz LIOSMMGVXWMHNS-UHFFFAOYSA-N 0 0 388.519 4.108 10 0 GIAERN COCCNC(=O)c1sc2nc(-c3ccccc3)c(NC3CCCC3)n2c1C ZINC000064761313 205195899 /nfs/dbraw/zinc/19/58/99/205195899.db2.gz ZKUJHVRRDURFJD-UHFFFAOYSA-N 0 0 398.532 4.102 10 0 GIAERN O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCC1=CCCCC1 ZINC000064847004 205197592 /nfs/dbraw/zinc/19/75/92/205197592.db2.gz GDFIBEUUVQOYQB-UHFFFAOYSA-N 0 0 375.557 4.138 10 0 GIAERN O=C(CN1CCCC[C@H]1c1nc(-c2cccc(F)c2)no1)Nc1ccccc1 ZINC000065250086 205222621 /nfs/dbraw/zinc/22/26/21/205222621.db2.gz DPTVZKCYONEKRP-SFHVURJKSA-N 0 0 380.423 4.041 10 0 GIAERN CC(C)c1csc(C(=O)N2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)n1 ZINC000067561710 205248735 /nfs/dbraw/zinc/24/87/35/205248735.db2.gz RIUOTOXHJATIDX-QGZVFWFLSA-N 0 0 378.501 4.353 10 0 GIAERN O=C(CCO)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000071250488 205278509 /nfs/dbraw/zinc/27/85/09/205278509.db2.gz FUUOCVSYDYUVQF-UHFFFAOYSA-N 0 0 382.463 4.288 10 0 GIAERN CCCOC(=O)c1ccc(-c2nc3c(cc(C)c(N)c3Br)[nH]2)cc1 ZINC000078400760 205374673 /nfs/dbraw/zinc/37/46/73/205374673.db2.gz TZHBJGZCECLWAO-UHFFFAOYSA-N 0 0 388.265 4.450 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2ccc(Br)cn2)C1 ZINC000095085124 205438286 /nfs/dbraw/zinc/43/82/86/205438286.db2.gz HBQARPBISKTLGH-CYBMUJFWSA-N 0 0 385.302 4.260 10 0 GIAERN O=C(c1ccco1)N(CCc1nc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000096292216 205558042 /nfs/dbraw/zinc/55/80/42/205558042.db2.gz KLKKNCFIRXPPKP-UHFFFAOYSA-N 0 0 383.423 4.486 10 0 GIAERN Nc1cc(-c2ccc(C(=O)N3CCc4ccccc43)o2)ccc1Br ZINC000226304395 205688592 /nfs/dbraw/zinc/68/85/92/205688592.db2.gz AXIZJCOFKJDDIW-UHFFFAOYSA-N 0 0 383.245 4.494 10 0 GIAERN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(I)n1 ZINC000145918995 205702936 /nfs/dbraw/zinc/70/29/36/205702936.db2.gz IZLUIBUCILKFQC-UHFFFAOYSA-N 0 0 384.526 4.420 10 0 GIAERN NC(=O)c1cccc2ncc(-c3cccc(NC(=O)Nc4ccccc4)c3)nc21 ZINC000211810208 205925878 /nfs/dbraw/zinc/92/58/78/205925878.db2.gz FQDDZASQEDFANQ-UHFFFAOYSA-N 0 0 383.411 4.040 10 0 GIAERN CN(C)c1cccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1 ZINC000027921212 206020172 /nfs/dbraw/zinc/02/01/72/206020172.db2.gz QRGNOWIPNISMOQ-UHFFFAOYSA-N 0 0 399.292 4.012 10 0 GIAERN Cc1ccccc1OCn1ccc(C(=O)NCc2ccccc2C(F)(F)F)n1 ZINC000027972172 206022843 /nfs/dbraw/zinc/02/28/43/206022843.db2.gz WTGLZIBIWJVCAQ-UHFFFAOYSA-N 0 0 389.377 4.177 10 0 GIAERN COc1ccc(OC)c(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000027977184 206024191 /nfs/dbraw/zinc/02/41/91/206024191.db2.gz TTWUVSPZHWFJGO-UHFFFAOYSA-N 0 0 379.460 4.078 10 0 GIAERN COc1cccc(Cn2cc(NC(=O)c3ccc(Cl)cc3Cl)cn2)c1 ZINC000028220690 206032523 /nfs/dbraw/zinc/03/25/23/206032523.db2.gz FBRJNQNTJSOMIV-UHFFFAOYSA-N 0 0 376.243 4.499 10 0 GIAERN C[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000028235795 206039103 /nfs/dbraw/zinc/03/91/03/206039103.db2.gz JMXGCLPCPYGPHU-MRVPVSSYSA-N 0 0 377.069 4.227 10 0 GIAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccn(Cc2ccccc2C)n1 ZINC000028238643 206039710 /nfs/dbraw/zinc/03/97/10/206039710.db2.gz SULCINUJAJSXRP-UHFFFAOYSA-N 0 0 385.471 4.295 10 0 GIAERN Cc1cc(C)n(C2=Nc3sc4c(c3[C@H](NCc3ccccc3)N2)CCCC4)n1 ZINC000028286495 206041303 /nfs/dbraw/zinc/04/13/03/206041303.db2.gz RGNDDPPYFKDRQN-HXUWFJFHSA-N 0 0 391.544 4.368 10 0 GIAERN Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000028304634 206041737 /nfs/dbraw/zinc/04/17/37/206041737.db2.gz OWHRYEJHDUZFCH-NSHDSACASA-N 0 0 398.816 4.265 10 0 GIAERN Cc1ccc(C(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)s1 ZINC000032610392 206089995 /nfs/dbraw/zinc/08/99/95/206089995.db2.gz NOGSNGJOYZIIPF-UHFFFAOYSA-N 0 0 377.416 4.437 10 0 GIAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000032609803 206090235 /nfs/dbraw/zinc/09/02/35/206090235.db2.gz AUFRGQOYHRXDDM-GHMZBOCLSA-N 0 0 382.243 4.367 10 0 GIAERN CC1=Nc2ccc(Br)cc2[C@@H](OCC(=O)NCc2ccccc2)C1 ZINC000227148465 206101032 /nfs/dbraw/zinc/10/10/32/206101032.db2.gz IFKWTMZTKZDILU-SFHVURJKSA-N 0 0 387.277 4.319 10 0 GIAERN O=C(c1ccccc1Cl)N1CCN=C1N1CCC(Cc2ccccc2)CC1 ZINC000065306499 206106501 /nfs/dbraw/zinc/10/65/01/206106501.db2.gz FESFYYVBTPRVCX-UHFFFAOYSA-N 0 0 381.907 4.107 10 0 GIAERN COc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)c1 ZINC000032609710 206091484 /nfs/dbraw/zinc/09/14/84/206091484.db2.gz ZSEPNASSZAOJPX-UHFFFAOYSA-N 0 0 379.460 4.126 10 0 GIAERN COCOc1cc2c(cc1O)[C@@H]1CC[C@]3(C)[C@H](OCOC)CC[C@H]3[C@@H]1CC2 ZINC000256455222 206151016 /nfs/dbraw/zinc/15/10/16/206151016.db2.gz XXXVHIQGIYOGRK-DLLFZYMQSA-N 0 0 376.493 4.220 10 0 GIAERN CCc1cccc2c(C=O)cn(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)c21 ZINC000006285681 220926989 /nfs/dbraw/zinc/92/69/89/220926989.db2.gz XYIXGLHFKOELPH-UHFFFAOYSA-N 0 0 398.846 4.095 10 0 GIAERN COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(Br)cc3F)n2)cc1 ZINC000057341457 523089945 /nfs/dbraw/zinc/08/99/45/523089945.db2.gz SGZKBSJUMWDOTH-UHFFFAOYSA-N 0 0 390.212 4.091 10 0 GIAERN CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c5cc(OC)ccc5n1c4[C@H]32 ZINC000504017620 528620072 /nfs/dbraw/zinc/62/00/72/528620072.db2.gz ZHFOVMIMMIBXLC-GMAHTHKFSA-N 0 0 380.488 4.157 10 0 GIAERN Nc1ccc2c(c1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)CCO2 ZINC000725260742 570310717 /nfs/dbraw/zinc/31/07/17/570310717.db2.gz VRCICGVWUQULRE-UHFFFAOYSA-N 0 0 386.451 4.412 10 0 GIAERN Cc1nnc(-c2cn(CC(=O)N[C@@H]3CCCc4ccccc43)c3ccccc23)o1 ZINC000035423155 570354741 /nfs/dbraw/zinc/35/47/41/570354741.db2.gz OGQAKOYDNFNUQL-HXUWFJFHSA-N 0 0 386.455 4.194 10 0 GIAERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118912673 570366431 /nfs/dbraw/zinc/36/64/31/570366431.db2.gz HWAOMBULLIBDHL-BLBAEXIBSA-N 0 0 390.520 4.072 10 0 GIAERN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(C(=O)C(C)(C)C)C1CC1 ZINC000035944348 570482020 /nfs/dbraw/zinc/48/20/20/570482020.db2.gz MVRAPSHHLSYGEH-UHFFFAOYSA-N 0 0 383.492 4.135 10 0 GIAERN CCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)Cc1ccc(OC)cc1 ZINC000034796170 570544304 /nfs/dbraw/zinc/54/43/04/570544304.db2.gz LBAYTFMELVXQOF-UHFFFAOYSA-N 0 0 379.460 4.228 10 0 GIAERN Cc1noc(C)c1CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012386904 570625720 /nfs/dbraw/zinc/62/57/20/570625720.db2.gz UONZMUUTEGIECF-HXUWFJFHSA-N 0 0 392.503 4.158 10 0 GIAERN Fc1cccc(-c2noc3c2CN(Cc2cnc(N4CCCC4)s2)CC3)c1 ZINC000015061719 570723360 /nfs/dbraw/zinc/72/33/60/570723360.db2.gz GBYQHZKKAAHQQN-UHFFFAOYSA-N 0 0 384.480 4.096 10 0 GIAERN CC[C@@H](NC(=O)CCc1nnc(-c2cc(C)on2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000014950953 570865674 /nfs/dbraw/zinc/86/56/74/570865674.db2.gz IEAABJYVWXHFOX-XCLLZBPDSA-N 0 0 398.507 4.077 10 0 GIAERN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC(C)C)C3)s1 ZINC000014959764 570866830 /nfs/dbraw/zinc/86/68/30/570866830.db2.gz KDIQNKMNANXWFA-OAHLLOKOSA-N 0 0 375.465 4.223 10 0 GIAERN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc(Br)c1O ZINC000226243746 570935551 /nfs/dbraw/zinc/93/55/51/570935551.db2.gz BGQGNBSYBRBEOV-UHFFFAOYSA-N 0 0 399.697 4.243 10 0 GIAERN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cc(OC)cc(OC)c3)nc2c1 ZINC000226283847 570936311 /nfs/dbraw/zinc/93/63/11/570936311.db2.gz WPMOHTICDFPILR-UHFFFAOYSA-N 0 0 394.349 4.427 10 0 GIAERN CCc1cccc(C)c1NC(=O)CN1c2ccccc2Oc2ncccc2C1=O ZINC000015679920 571044509 /nfs/dbraw/zinc/04/45/09/571044509.db2.gz YVSWNKAGBSYTDH-UHFFFAOYSA-N 0 0 387.439 4.344 10 0 GIAERN Cc1ccccc1COc1c(Cl)cc(/C=C\C(N)=O)cc1Br ZINC000409416132 231204484 /nfs/dbraw/zinc/20/44/84/231204484.db2.gz CTYUOQPCGVRGAG-SREVYHEPSA-N 0 0 380.669 4.488 10 0 GIAERN COc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)C3CC3)cc2c1 ZINC000001367842 203822763 /nfs/dbraw/zinc/82/27/63/203822763.db2.gz OTYNYVWIBZBZGS-UHFFFAOYSA-N 0 0 381.863 4.231 10 0 GIAERN O=C(Nc1cccc(Cl)c1)NC1(C(=O)NCc2ccco2)CCCCC1 ZINC000004965403 203825711 /nfs/dbraw/zinc/82/57/11/203825711.db2.gz FNENAQPSLULFNL-UHFFFAOYSA-N 0 0 375.856 4.074 10 0 GIAERN COc1ccc(NC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000001983732 203923340 /nfs/dbraw/zinc/92/33/40/203923340.db2.gz PTXUBVAWCZYJSM-RUDMXATFSA-N 0 0 392.249 4.127 10 0 GIAERN O=C(NCCC1=CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 ZINC000002956506 203977566 /nfs/dbraw/zinc/97/75/66/203977566.db2.gz PBXBUSYSTWLISV-UHFFFAOYSA-N 0 0 385.514 4.192 10 0 GIAERN CCCN1CCc2c(sc(NC(=O)c3ccc(C)cc3C)c2C(=O)OC)C1 ZINC000004330693 204039556 /nfs/dbraw/zinc/03/95/56/204039556.db2.gz SWTSMQPTTHIPPZ-UHFFFAOYSA-N 0 0 386.517 4.172 10 0 GIAERN O=C(Nc1nc2c(cc(Cl)cc2Cl)s1)[C@H]1COc2ccccc2O1 ZINC000004331450 204039843 /nfs/dbraw/zinc/03/98/43/204039843.db2.gz UUSHZEGDOUSJBY-GFCCVEGCSA-N 0 0 381.240 4.382 10 0 GIAERN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)O[C@H]3CCCC3=O)cc12 ZINC000003419739 204004975 /nfs/dbraw/zinc/00/49/75/204004975.db2.gz DKUFZERQVGZAPY-INIZCTEOSA-N 0 0 388.876 4.386 10 0 GIAERN COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 ZINC000003978990 204022354 /nfs/dbraw/zinc/02/23/54/204022354.db2.gz ORDAZKGHSNRHTD-WOJBJXKFSA-N 0 0 394.423 4.008 10 0 GIAERN Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)Nc1ccc(C)cc1 ZINC000004715528 204068553 /nfs/dbraw/zinc/06/85/53/204068553.db2.gz VIYUKRSQSTZRIM-MHZLTWQESA-N 0 0 382.485 4.154 10 0 GIAERN CCOc1ccccc1C(=O)NC(=S)Nc1ccc(C)cc1Br ZINC000005333221 204125785 /nfs/dbraw/zinc/12/57/85/204125785.db2.gz QBSWQZNPZWUUAU-UHFFFAOYSA-N 0 0 393.306 4.283 10 0 GIAERN CCN(C(=O)Cn1cccc1C1=N[C@@H](c2ccccc2)CO1)c1cccc(C)c1 ZINC000004970901 204098858 /nfs/dbraw/zinc/09/88/58/204098858.db2.gz DQDNYRXVVUKQQH-OAQYLSRUSA-N 0 0 387.483 4.368 10 0 GIAERN O=C(CNc1ccc(Br)cc1)Nc1cccc(Br)c1 ZINC000005090174 204109363 /nfs/dbraw/zinc/10/93/63/204109363.db2.gz MFRSEZFDSPDMGD-UHFFFAOYSA-N 0 0 384.071 4.262 10 0 GIAERN CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000005909297 204157878 /nfs/dbraw/zinc/15/78/78/204157878.db2.gz SCLJWNBVZQGNIW-UHOFOFEASA-N 0 0 380.282 4.312 10 0 GIAERN CCOc1ccccc1C(=O)Nc1cc(OC)c(Br)cc1OC ZINC000005953814 204159317 /nfs/dbraw/zinc/15/93/17/204159317.db2.gz IDAHBTIVJQNHIE-UHFFFAOYSA-N 0 0 380.238 4.117 10 0 GIAERN Cc1ccc(-c2nnc3n2c2ccccc2c(=O)n3CCc2ccccc2)s1 ZINC000006781262 204204028 /nfs/dbraw/zinc/20/40/28/204204028.db2.gz XBWDWQVULDRWKK-UHFFFAOYSA-N 0 0 386.480 4.324 10 0 GIAERN COCOc1cc2c(cc1C=O)[C@H]1CC[C@@]3(C)[C@@H](OCOC)CC[C@H]3[C@H]1CC2 ZINC000006795285 204207108 /nfs/dbraw/zinc/20/71/08/204207108.db2.gz PGRCGHQMTWFDPC-AYJQOQHFSA-N 0 0 388.504 4.327 10 0 GIAERN Cc1ccc(NC(=O)Cc2nc(-c3cccs3)no2)c(Br)c1 ZINC000006859849 204216686 /nfs/dbraw/zinc/21/66/86/204216686.db2.gz NBUGAYVAYJLRKJ-UHFFFAOYSA-N 0 0 378.251 4.050 10 0 GIAERN CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccsc2)[C@@H]1c1cccs1 ZINC000006875507 204216995 /nfs/dbraw/zinc/21/69/95/204216995.db2.gz YYPPCBHVBLGAOZ-MOPGFXCFSA-N 0 0 396.537 4.079 10 0 GIAERN COc1ccc(Cl)cc1NC(=S)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000006369175 204175249 /nfs/dbraw/zinc/17/52/49/204175249.db2.gz SIAIWFGJSLILPW-INIZCTEOSA-N 0 0 391.924 4.122 10 0 GIAERN C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000006558688 204183783 /nfs/dbraw/zinc/18/37/83/204183783.db2.gz BTIYCDMAQYFWSO-GHAJFHELSA-N 0 0 392.430 4.196 10 0 GIAERN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc2c1OCO2)NCc1cccnc1 ZINC000006704324 204193247 /nfs/dbraw/zinc/19/32/47/204193247.db2.gz OOLKVBLDLSBWNF-LJQANCHMSA-N 0 0 399.450 4.130 10 0 GIAERN COc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000006725213 204196191 /nfs/dbraw/zinc/19/61/91/204196191.db2.gz YUGXFUOPNIRBGK-VQTJNVASSA-N 0 0 392.480 4.306 10 0 GIAERN CC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](CSCc1ccccc1C)N2 ZINC000006920214 204224317 /nfs/dbraw/zinc/22/43/17/204224317.db2.gz SDSHXLCTCMYUEE-QRWLVFNGSA-N 0 0 397.544 4.189 10 0 GIAERN CCCc1ccc2oc(C(=O)N3CCN(C(=O)c4cccs4)CC3)c(C)c2c1 ZINC000011818187 204354420 /nfs/dbraw/zinc/35/44/20/204354420.db2.gz LVAQTAQETUAWCX-UHFFFAOYSA-N 0 0 396.512 4.353 10 0 GIAERN O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000011913349 204361212 /nfs/dbraw/zinc/36/12/12/204361212.db2.gz VQRGKJRLIKCOFO-DKFVKDFSSA-N 0 0 380.875 4.034 10 0 GIAERN Cc1ccc(C)c(-c2cn3c(C(=O)N[C@H](C)Cc4cccnc4)csc3n2)c1 ZINC000011935221 204362348 /nfs/dbraw/zinc/36/23/48/204362348.db2.gz NSEBTSHOOZMZCV-MRXNPFEDSA-N 0 0 390.512 4.436 10 0 GIAERN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)C1CCC1)C2 ZINC000012001362 204365576 /nfs/dbraw/zinc/36/55/76/204365576.db2.gz OAWZOCRLBHAULW-INIZCTEOSA-N 0 0 378.497 4.492 10 0 GIAERN CC[C@@H](O)C1CCN(Cc2nc3ccccc3c(Nc3ccccc3)n2)CC1 ZINC000012031298 204366821 /nfs/dbraw/zinc/36/68/21/204366821.db2.gz JFMPGTWXJMGCLU-OAQYLSRUSA-N 0 0 376.504 4.356 10 0 GIAERN O=C(CCCn1cncn1)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000012027629 204367730 /nfs/dbraw/zinc/36/77/30/204367730.db2.gz JNAPZZNPXSRTOR-QHCPKHFHSA-N 0 0 391.519 4.246 10 0 GIAERN COc1ccc(OC)c(Nc2ncnc3sc(C(=O)OC(C)C)c(C)c32)c1 ZINC000012084690 204370120 /nfs/dbraw/zinc/37/01/20/204370120.db2.gz BPGYYDPOJSXZGF-UHFFFAOYSA-N 0 0 387.461 4.326 10 0 GIAERN Cc1cc(CN(C)C(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)on1 ZINC000012298369 204391061 /nfs/dbraw/zinc/39/10/61/204391061.db2.gz IMOBWTPOISVJKH-UHFFFAOYSA-N 0 0 379.391 4.126 10 0 GIAERN CCOCCCNC(=O)c1ccc(-c2ncccc2-n2c(C)ccc2C)cc1 ZINC000013356396 204488804 /nfs/dbraw/zinc/48/88/04/204488804.db2.gz QWXPFSQZQKKJIT-UHFFFAOYSA-N 0 0 377.488 4.313 10 0 GIAERN COc1cc(-n2c(C)nc3cccnc32)c(Cl)cc1C(=O)N1CCCCCC1 ZINC000020934482 204747377 /nfs/dbraw/zinc/74/73/77/204747377.db2.gz IQVRKYRTFFXRDA-UHFFFAOYSA-N 0 0 398.894 4.407 10 0 GIAERN COc1cccc([C@H](CC(=O)Nc2ccc(C)c(N(C)C)c2)n2cccc2)c1 ZINC000020998544 204749613 /nfs/dbraw/zinc/74/96/13/204749613.db2.gz WOYLZEIBDHQOBB-QFIPXVFZSA-N 0 0 377.488 4.489 10 0 GIAERN Cc1ccccc1OCn1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)n1 ZINC000027972302 204864578 /nfs/dbraw/zinc/86/45/78/204864578.db2.gz CZWJNQIWAVABIL-UHFFFAOYSA-N 0 0 389.377 4.177 10 0 GIAERN COc1ccccc1C(=O)c1c(N)c(C(=O)Nc2cccc(C)c2)c2ccccn21 ZINC000028047611 204866229 /nfs/dbraw/zinc/86/62/29/204866229.db2.gz HQRUNXBOZXOURI-UHFFFAOYSA-N 0 0 399.450 4.322 10 0 GIAERN O=C(NCc1cccs1)c1cc(Br)c(Br)s1 ZINC000028908877 204883205 /nfs/dbraw/zinc/88/32/05/204883205.db2.gz DQYOHNNFEUFQKM-UHFFFAOYSA-N 0 0 381.114 4.265 10 0 GIAERN N=C1NC(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)S1 ZINC000033751340 204967341 /nfs/dbraw/zinc/96/73/41/204967341.db2.gz LDBQUSFXIMFAKD-OQLLNIDSSA-N 0 0 389.274 4.167 10 0 GIAERN CCCNC(=O)c1cnc(-c2ccc(C)cc2)nc1N1CCc2ccccc2C1 ZINC000035988010 205000286 /nfs/dbraw/zinc/00/02/86/205000286.db2.gz ZLLSRLJONDQMRW-UHFFFAOYSA-N 0 0 386.499 4.155 10 0 GIAERN O=C(c1ccccc1)N(Cc1cc(-c2ccc(F)cc2)on1)C[C@H]1CCCO1 ZINC000036012525 205002065 /nfs/dbraw/zinc/00/20/65/205002065.db2.gz UVVGZZAIBVPQRE-HXUWFJFHSA-N 0 0 380.419 4.302 10 0 GIAERN COc1cccc(-c2cc(CN(C[C@H]3CCCO3)C(=O)C3CCCC3)no2)c1 ZINC000036012581 205003302 /nfs/dbraw/zinc/00/33/02/205003302.db2.gz GUKZPSYJYLMMBP-HXUWFJFHSA-N 0 0 384.476 4.048 10 0 GIAERN Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 ZINC000070005701 204988826 /nfs/dbraw/zinc/98/88/26/204988826.db2.gz ZZLIBRFGNZYPCF-UHFFFAOYSA-N 0 0 399.450 4.040 10 0 GIAERN CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000037546330 205028104 /nfs/dbraw/zinc/02/81/04/205028104.db2.gz ACGMUZYAXNVXED-DJPFJPOOSA-N 0 0 382.479 4.334 10 0 GIAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2CC2CCC2)C1 ZINC000037541630 205028907 /nfs/dbraw/zinc/02/89/07/205028907.db2.gz BPVOBDABVQWSTN-MRXNPFEDSA-N 0 0 388.533 4.227 10 0 GIAERN O=C(CCc1nc2ccccc2[nH]c1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000040839239 205072567 /nfs/dbraw/zinc/07/25/67/205072567.db2.gz KEXONRHNNQESTL-UHFFFAOYSA-N 0 0 395.768 4.167 10 0 GIAERN CSc1ncc(Cl)c(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000040803641 205073313 /nfs/dbraw/zinc/07/33/13/205073313.db2.gz WVWIETFWVXNIID-UHFFFAOYSA-N 0 0 383.182 4.171 10 0 GIAERN CCc1ccc(NC(=O)CSC2=NN(CC)CC(Oc3ccccc3)=N2)cc1 ZINC000057401644 205156261 /nfs/dbraw/zinc/15/62/61/205156261.db2.gz COCFPGXVUAMYLC-UHFFFAOYSA-N 0 0 396.516 4.005 10 0 GIAERN O=C1NC(=Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000059325926 205179031 /nfs/dbraw/zinc/17/90/31/205179031.db2.gz CCMLIAMNVHEODE-ZROIWOOFSA-N 0 0 377.625 4.200 10 0 GIAERN CSc1ncccc1C(=O)N1CCC[C@@H](c2noc(-c3cccc(F)c3)n2)C1 ZINC000065149446 205213586 /nfs/dbraw/zinc/21/35/86/205213586.db2.gz NYIFOXCEAOXTJD-CQSZACIVSA-N 0 0 398.463 4.012 10 0 GIAERN CCc1ccccc1S(=O)(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000064660531 205192536 /nfs/dbraw/zinc/19/25/36/205192536.db2.gz SZRIKTMMKFWRQO-UHFFFAOYSA-N 0 0 384.526 4.120 10 0 GIAERN CCCOc1nn2cc(-c3ccc(OCCOC)cc3)nc2c2ccccc21 ZINC000072173283 205316961 /nfs/dbraw/zinc/31/69/61/205316961.db2.gz NAHQAEBRVUPTAI-UHFFFAOYSA-N 0 0 377.444 4.364 10 0 GIAERN COc1nc2ccccc2nc1OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095076594 205435722 /nfs/dbraw/zinc/43/57/22/205435722.db2.gz CTXFTVSLEJJAFV-HNNXBMFYSA-N 0 0 387.480 4.197 10 0 GIAERN COc1ccc(OC)c(NC(=O)Nc2cnn(Cc3ccccc3Cl)c2)c1 ZINC000027920742 206020125 /nfs/dbraw/zinc/02/01/25/206020125.db2.gz UVRIFUZQWNDJCR-UHFFFAOYSA-N 0 0 386.839 4.246 10 0 GIAERN COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000027921290 206020741 /nfs/dbraw/zinc/02/07/41/206020741.db2.gz NDMNUHLNHMZBIW-UHFFFAOYSA-N 0 0 380.448 4.209 10 0 GIAERN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C)cn3)cc2)c(C)c1Br ZINC000027970132 206022317 /nfs/dbraw/zinc/02/23/17/206022317.db2.gz NHYRCUAWPNISCS-UHFFFAOYSA-N 0 0 399.292 4.266 10 0 GIAERN COc1ccc2nc(NC(=O)Cn3nc(C(F)(F)F)cc3C3CC3)sc2c1 ZINC000027936902 206022513 /nfs/dbraw/zinc/02/25/13/206022513.db2.gz CDDZRBRUERFZFC-UHFFFAOYSA-N 0 0 396.394 4.036 10 0 GIAERN O=C(N[C@H]1CCCc2ccccc21)c1ccn(COc2ccccc2Cl)n1 ZINC000027972547 206022754 /nfs/dbraw/zinc/02/27/54/206022754.db2.gz IKVVLXQXWMBHMD-SFHVURJKSA-N 0 0 381.863 4.380 10 0 GIAERN CCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc21 ZINC000027981598 206023267 /nfs/dbraw/zinc/02/32/67/206023267.db2.gz DYYVCKRZLMVHJD-UHFFFAOYSA-N 0 0 391.515 4.249 10 0 GIAERN CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C)cc1Br ZINC000027978369 206023830 /nfs/dbraw/zinc/02/38/30/206023830.db2.gz OFTWZPLUOVXDKI-HNNXBMFYSA-N 0 0 392.249 4.282 10 0 GIAERN O=S(=O)(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc2ccccc2c1 ZINC000028220261 206033141 /nfs/dbraw/zinc/03/31/41/206033141.db2.gz BNPLHBQCSZDFEH-UHFFFAOYSA-N 0 0 383.860 4.480 10 0 GIAERN COc1cccc(O[C@H](C)C(=O)Nc2nc(-c3cccc(OC)c3)cs2)c1 ZINC000028232493 206037742 /nfs/dbraw/zinc/03/77/42/206037742.db2.gz HJOOIJIYWFVZQM-CYBMUJFWSA-N 0 0 384.457 4.233 10 0 GIAERN O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1cccc(Cn2cccn2)c1 ZINC000028240858 206037794 /nfs/dbraw/zinc/03/77/94/206037794.db2.gz ZUBIEXGNYZIZEF-UHFFFAOYSA-N 0 0 377.835 4.023 10 0 GIAERN Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 ZINC000028236869 206038590 /nfs/dbraw/zinc/03/85/90/206038590.db2.gz FETCXMHVRIVACL-HUUCEWRRSA-N 0 0 390.409 4.439 10 0 GIAERN Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)o1 ZINC000028241457 206036613 /nfs/dbraw/zinc/03/66/13/206036613.db2.gz LIJGFRCKOQVQGX-UHFFFAOYSA-N 0 0 390.443 4.281 10 0 GIAERN COc1cccc(Cn2nc(C)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C)c1 ZINC000032609753 206091547 /nfs/dbraw/zinc/09/15/47/206091547.db2.gz PYCKTILSOOOKEW-NHCUHLMSSA-N 0 0 375.472 4.299 10 0 GIAERN COCOc1cc2c(cc1C=O)[C@@H]1CC[C@]3(C)[C@H](OCOC)CC[C@@H]3[C@H]1CC2 ZINC000256439187 206151160 /nfs/dbraw/zinc/15/11/60/206151160.db2.gz PGRCGHQMTWFDPC-FWRLEMQZSA-N 0 0 388.504 4.327 10 0 GIAERN C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1Cl ZINC000007305171 206223421 /nfs/dbraw/zinc/22/34/21/206223421.db2.gz LTPQXJLDUJFLAL-QMMMGPOBSA-N 0 0 380.716 4.204 10 0 GIAERN CC(C)(C)OC(=O)Nc1ccc(Br)cc1I ZINC000000690369 220452907 /nfs/dbraw/zinc/45/29/07/220452907.db2.gz HAIBNZMFPDFVFH-UHFFFAOYSA-N 0 0 398.038 4.401 10 0 GIAERN O=C([C@@H]1CCC(=O)N(C2CCCCCC2)C1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000015074379 221331273 /nfs/dbraw/zinc/33/12/73/221331273.db2.gz YVNOYNBTKJNZAS-HXUWFJFHSA-N 0 0 398.522 4.403 10 0 GIAERN O=C(c1ccc(Br)o1)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064929650 136158280 /nfs/dbraw/zinc/15/82/80/136158280.db2.gz GFHNLOXISLKAAD-UHFFFAOYSA-N 0 0 398.260 4.104 10 0 GIAERN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1 ZINC000095074497 136177691 /nfs/dbraw/zinc/17/76/91/136177691.db2.gz HTZNQTQHAYXXFM-CYBMUJFWSA-N 0 0 376.888 4.119 10 0 GIAERN CN(C(=O)OC(C)(C)C)C1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000095074722 136177696 /nfs/dbraw/zinc/17/76/96/136177696.db2.gz PSJRVNKSFASKQV-UHFFFAOYSA-N 0 0 397.523 4.040 10 0 GIAERN O=C(NCCc1ccccc1)[C@@H]1CCCN(c2nc3ccccc3n3cccc23)C1 ZINC000020902675 136202990 /nfs/dbraw/zinc/20/29/90/136202990.db2.gz GZIFBEWENQJBQR-HXUWFJFHSA-N 0 0 398.510 4.063 10 0 GIAERN CCNc1ncc(-c2cc(C(=O)N3CCC[C@@H]3C)c3cccc(C)c3n2)cn1 ZINC000023153419 520361861 /nfs/dbraw/zinc/36/18/61/520361861.db2.gz XKSYULFZYQFSFB-HNNXBMFYSA-N 0 0 375.476 4.057 10 0 GIAERN CCOC(=O)c1[nH]c2ccccc2c1NC(=S)N1CCc2ccccc2C1 ZINC000085345051 521370048 /nfs/dbraw/zinc/37/00/48/521370048.db2.gz DUKYWBCEBZRHLK-UHFFFAOYSA-N 0 0 379.485 4.100 10 0 GIAERN COc1ccc(-c2cc(=O)[nH]c(NCc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000057341867 523088710 /nfs/dbraw/zinc/08/87/10/523088710.db2.gz NWLABLCGARKQOV-UHFFFAOYSA-N 0 0 375.350 4.076 10 0 GIAERN O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CCOc2ccccc2C1 ZINC000012612619 526741850 /nfs/dbraw/zinc/74/18/50/526741850.db2.gz DOJCQMNOKMOUJU-UHFFFAOYSA-N 0 0 384.435 4.453 10 0 GIAERN FC(F)(F)c1cccc(N2CCN(c3nc(Cl)c4c(n3)CCCC4)CC2)c1 ZINC000057343463 527685943 /nfs/dbraw/zinc/68/59/43/527685943.db2.gz YDDILKUMUQXLPU-UHFFFAOYSA-N 0 0 396.844 4.354 10 0 GIAERN CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)c(OCC)c2)S1 ZINC000005214581 570243178 /nfs/dbraw/zinc/24/31/78/570243178.db2.gz WRCQNSUDCJRRLW-PDGQHHTCSA-N 0 0 384.457 4.081 10 0 GIAERN CCOC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021161923 570288548 /nfs/dbraw/zinc/28/85/48/570288548.db2.gz ULUIRGPVGLOCBG-UHFFFAOYSA-N 0 0 381.451 4.003 10 0 GIAERN Cn1cnc2cc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)ccc21 ZINC000035453190 570362942 /nfs/dbraw/zinc/36/29/42/570362942.db2.gz IRWCQOKVGUENDM-UHFFFAOYSA-N 0 0 385.383 4.136 10 0 GIAERN Cc1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)c1 ZINC000033250469 570403017 /nfs/dbraw/zinc/40/30/17/570403017.db2.gz PYOSCCFGSKIEJD-UHFFFAOYSA-N 0 0 381.501 4.461 10 0 GIAERN Cn1c(=O)cc(OCCCC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000005067513 570410222 /nfs/dbraw/zinc/41/02/22/570410222.db2.gz PWHLRLHPSOZOLT-UHFFFAOYSA-N 0 0 388.826 4.129 10 0 GIAERN CC[C@@H](C(=O)Nc1ccc2c(c1)CN(C(C)C)C(=O)[C@H](C)O2)c1ccccc1 ZINC000035873482 570469273 /nfs/dbraw/zinc/46/92/73/570469273.db2.gz DMEQFJAJPCRVKB-OXJNMPFZSA-N 0 0 380.488 4.337 10 0 GIAERN CC(C)c1noc([C@@H](Nc2ccnc(Cc3ccccc3)n2)C2CCOCC2)n1 ZINC000275483622 570694022 /nfs/dbraw/zinc/69/40/22/570694022.db2.gz VSTJIJXYOAEVTP-FQEVSTJZSA-N 0 0 393.491 4.154 10 0 GIAERN COc1ccc(CSc2nc(C)c(Cc3ccc(F)cc3)c(=O)n2C)cc1 ZINC000004562233 570889439 /nfs/dbraw/zinc/88/94/39/570889439.db2.gz ZNJSYYCWPIDZQV-UHFFFAOYSA-N 0 0 384.476 4.120 10 0 GIAERN CCCCc1nnc(NC(=O)COc2c(C)cc(Br)cc2C)s1 ZINC000028284394 570907147 /nfs/dbraw/zinc/90/71/47/570907147.db2.gz SBQGKEMAZMLKHI-UHFFFAOYSA-N 0 0 398.326 4.278 10 0 GIAERN CCc1[nH]nc(I)c1-c1ccc(Br)cc1 ZINC000675077106 570910599 /nfs/dbraw/zinc/91/05/99/570910599.db2.gz XUZYYHZNHOKYBX-UHFFFAOYSA-N 0 0 377.023 4.006 10 0 GIAERN COc1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2OC)cc1 ZINC000226288253 570936193 /nfs/dbraw/zinc/93/61/93/570936193.db2.gz FUUXRBSFLTUOCP-UHFFFAOYSA-N 0 0 388.423 4.117 10 0 GIAERN CCS(=O)(=O)Nc1cc2c(cc1C)oc(C)c2C(=O)OCc1ccccc1 ZINC000011615826 203753131 /nfs/dbraw/zinc/75/31/31/203753131.db2.gz AGHOOFMHFCGOJS-UHFFFAOYSA-N 0 0 387.457 4.168 10 0 GIAERN CN1C(=S)N=NC1CCCOc1ccc(C(C)(C)C)cc1Br ZINC000026469240 203795216 /nfs/dbraw/zinc/79/52/16/203795216.db2.gz DTNZUXOZRKYBKP-UHFFFAOYSA-N 0 0 384.343 4.175 10 0 GIAERN COc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)cc1OC ZINC000226272216 203791965 /nfs/dbraw/zinc/79/19/65/203791965.db2.gz XSCDEBJDLNWZKR-UHFFFAOYSA-N 0 0 394.349 4.346 10 0 GIAERN CCCN1CCc2c(sc(NC(=O)c3cc(C)ccc3C)c2C(=O)OC)C1 ZINC000004330651 204039021 /nfs/dbraw/zinc/03/90/21/204039021.db2.gz JUWGHPQNBBGLKU-UHFFFAOYSA-N 0 0 386.517 4.172 10 0 GIAERN O=C(CCOc1ccccc1)Nc1nc2c(cccc2Br)s1 ZINC000004348464 204040237 /nfs/dbraw/zinc/04/02/37/204040237.db2.gz OBWUKPRBVVHTQH-UHFFFAOYSA-N 0 0 377.263 4.466 10 0 GIAERN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)O[C@@H]3CCCC3=O)cc12 ZINC000003419742 204004798 /nfs/dbraw/zinc/00/47/98/204004798.db2.gz DKUFZERQVGZAPY-MRXNPFEDSA-N 0 0 388.876 4.386 10 0 GIAERN CCOc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc21 ZINC000003633468 204016576 /nfs/dbraw/zinc/01/65/76/204016576.db2.gz DKSVBVKHUICELN-UHFFFAOYSA-N 0 0 382.464 4.010 10 0 investigational GIAERN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1N1CCCCC1)c1ccccc1 ZINC000004069935 204025897 /nfs/dbraw/zinc/02/58/97/204025897.db2.gz JSHGZDYPZDAOBQ-UHFFFAOYSA-N 0 0 386.448 4.304 10 0 GIAERN COc1cccc(OC)c1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000004249018 204034908 /nfs/dbraw/zinc/03/49/08/204034908.db2.gz PLOXDZXTLWSQPX-UHFFFAOYSA-N 0 0 379.441 4.332 10 0 GIAERN O=C(CCc1nc2cccnc2n1Cc1ccccc1)NCCCc1ccccc1 ZINC000004901188 204088709 /nfs/dbraw/zinc/08/87/09/204088709.db2.gz FJBQUYWXNVZJCS-UHFFFAOYSA-N 0 0 398.510 4.161 10 0 GIAERN CCCCCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)CC)c1)[C@H](C)CC ZINC000004519660 204049992 /nfs/dbraw/zinc/04/99/92/204049992.db2.gz IJZFPCCVYFUNLS-MRXNPFEDSA-N 0 0 399.553 4.131 10 0 GIAERN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3N2)cc1 ZINC000004953108 204096287 /nfs/dbraw/zinc/09/62/87/204096287.db2.gz OSYQFMKIPFUJKI-GOEBONIOSA-N 0 0 378.398 4.088 10 0 GIAERN O=C(Nc1cccc2c1CCCC2)C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000004965533 204097703 /nfs/dbraw/zinc/09/77/03/204097703.db2.gz SEDMLWBEFHQPTB-UHFFFAOYSA-N 0 0 383.536 4.258 10 0 GIAERN COc1cc(C(=O)Nc2cc(C)cc(C)c2)c(Br)c(OC)c1OC ZINC000005697685 204147934 /nfs/dbraw/zinc/14/79/34/204147934.db2.gz FWOWHXQLQPZOIC-UHFFFAOYSA-N 0 0 394.265 4.344 10 0 GIAERN O=c1/c(=C/c2ccccc2OCc2ccccc2)sc2nc3ccccc3n12 ZINC000005908266 204156941 /nfs/dbraw/zinc/15/69/41/204156941.db2.gz MWRZJWXMPILYPR-STZFKDTASA-N 0 0 384.460 4.036 10 0 GIAERN CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000006779992 204204353 /nfs/dbraw/zinc/20/43/53/204204353.db2.gz XYVYSEKWRLXIPI-JOCHJYFZSA-N 0 0 384.435 4.225 10 0 GIAERN COc1ccc(Cl)cc1NC(=S)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000006369179 204175588 /nfs/dbraw/zinc/17/55/88/204175588.db2.gz SIAIWFGJSLILPW-MRXNPFEDSA-N 0 0 391.924 4.122 10 0 GIAERN COc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1 ZINC000006918366 204223576 /nfs/dbraw/zinc/22/35/76/204223576.db2.gz NRVOPBPMGGIWBW-UHFFFAOYSA-N 0 0 394.452 4.031 10 0 GIAERN S=C(NCc1ccc(Cl)cc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000007017065 204230881 /nfs/dbraw/zinc/23/08/81/204230881.db2.gz XLNJMHRTNYTNBI-DAXSKMNVSA-N 0 0 385.964 4.046 10 0 GIAERN CCCCn1c(CN2CCC[C@@H](C)C2)cnc1S(=O)(=O)C1CCCCC1 ZINC000011664606 204348854 /nfs/dbraw/zinc/34/88/54/204348854.db2.gz ACTHUNTYYGWVPM-QGZVFWFLSA-N 0 0 381.586 4.022 10 0 GIAERN COc1cc(-c2nc(CN(Cc3c(C)nn(C)c3C)C3CC3)c(C)o2)ccc1F ZINC000012003371 204368029 /nfs/dbraw/zinc/36/80/29/204368029.db2.gz PTRQUBYODVGGIN-UHFFFAOYSA-N 0 0 398.482 4.313 10 0 GIAERN COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)cc1C ZINC000012439373 204410496 /nfs/dbraw/zinc/41/04/96/204410496.db2.gz ZSJWJEIRHFHBGX-LJQANCHMSA-N 0 0 394.515 4.113 10 0 GIAERN CCCCN(C)C(=O)c1sc2ncnc(NCc3cccc(C)n3)c2c1C ZINC000012218361 204384526 /nfs/dbraw/zinc/38/45/26/204384526.db2.gz HISBCKNVYPJYFI-UHFFFAOYSA-N 0 0 383.521 4.187 10 0 GIAERN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1ccn(C)c1 ZINC000012715791 204436880 /nfs/dbraw/zinc/43/68/80/204436880.db2.gz JSKCJFIUEJFOCA-VWLOTQADSA-N 0 0 399.494 4.232 10 0 GIAERN NC(=O)c1c(NC(=O)/C=C\c2c(F)cccc2Cl)sc2c1CCCC2 ZINC000033449036 204964561 /nfs/dbraw/zinc/96/45/61/204964561.db2.gz JHUGBABZBYUNEM-HJWRWDBZSA-N 0 0 378.856 4.170 10 0 GIAERN CC(=O)N1C[C@H](C(=O)NCc2cccc(C)c2)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000034715276 204974355 /nfs/dbraw/zinc/97/43/55/204974355.db2.gz DTDDRDTWRGTDLG-IFMALSPDSA-N 0 0 382.479 4.059 10 0 GIAERN CCCNC(=O)[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1c1ccccc1C ZINC000036052329 205003678 /nfs/dbraw/zinc/00/36/78/205003678.db2.gz WAFDXVKBRMEFDV-OALUTQOASA-N 0 0 384.907 4.030 10 0 GIAERN C[C@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000035528927 204992929 /nfs/dbraw/zinc/99/29/29/204992929.db2.gz PIBSRJHNMIHBKS-LJQANCHMSA-N 0 0 393.531 4.458 10 0 GIAERN CCc1ccc(NC(=O)c2cnn(C)c2C(=O)Nc2ccc(CC)cc2)cc1 ZINC000036617933 205018693 /nfs/dbraw/zinc/01/86/93/205018693.db2.gz BOMAFAZVOBYAAD-UHFFFAOYSA-N 0 0 376.460 4.050 10 0 GIAERN CC[C@H](C)c1ccc(S(=O)(=O)N(CC)Cc2c(C)nn(CC)c2C)cc1 ZINC000036615341 205018937 /nfs/dbraw/zinc/01/89/37/205018937.db2.gz FGRFGWNTNSACHO-HNNXBMFYSA-N 0 0 377.554 4.244 10 0 GIAERN COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC000037309530 205023907 /nfs/dbraw/zinc/02/39/07/205023907.db2.gz ZEKBSGIZBXFCHO-CRFBAAHOSA-N 0 0 387.838 4.110 10 0 GIAERN Nc1c2c(nn1Cc1ccccc1)nc(NC1CC1)nc2-c1ccc(Cl)cc1 ZINC000037357798 205025448 /nfs/dbraw/zinc/02/54/48/205025448.db2.gz UEWQURNOUIWGRT-UHFFFAOYSA-N 0 0 390.878 4.352 10 0 GIAERN C[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)CCc1ccccc1 ZINC000037520677 205027015 /nfs/dbraw/zinc/02/70/15/205027015.db2.gz MZAWIVSWQFBQJI-CQSZACIVSA-N 0 0 391.298 4.190 10 0 GIAERN Cc1cccc([C@@H]2CC[C@H](C(=O)NCc3ccco3)CN2C(=O)C2CCCC2)c1 ZINC000037545584 205028480 /nfs/dbraw/zinc/02/84/80/205028480.db2.gz SHYWIMSYUPRNKG-UNMCSNQZSA-N 0 0 394.515 4.374 10 0 GIAERN CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000037546328 205028851 /nfs/dbraw/zinc/02/88/51/205028851.db2.gz ACGMUZYAXNVXED-YRISNDGFSA-N 0 0 382.479 4.334 10 0 GIAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Oc1ccc(Br)cc1 ZINC000040779659 205070462 /nfs/dbraw/zinc/07/04/62/205070462.db2.gz AXPXTMFSCSPLBF-UHFFFAOYSA-N 0 0 392.644 4.406 10 0 GIAERN CCOC(=O)[C@@H]1CCc2cc3c(N)c(C(=O)Nc4cccc(C)c4)sc3nc21 ZINC000040486497 205066792 /nfs/dbraw/zinc/06/67/92/205066792.db2.gz YQMAPGXBANVSEV-CQSZACIVSA-N 0 0 395.484 4.032 10 0 GIAERN O=C(Cc1cc(Br)cs1)N1CCCC2(CC1)SCCS2 ZINC000042750364 205080690 /nfs/dbraw/zinc/08/06/90/205080690.db2.gz RVMPZPYIXKFFTH-UHFFFAOYSA-N 0 0 392.409 4.242 10 0 GIAERN Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779356 205071287 /nfs/dbraw/zinc/07/12/87/205071287.db2.gz BJPSXSVNFCBSTN-UHFFFAOYSA-N 0 0 391.660 4.357 10 0 GIAERN Cc1ccc(Oc2ncnc(Nc3ccc(Br)cn3)c2N)cc1C ZINC000040780022 205071690 /nfs/dbraw/zinc/07/16/90/205071690.db2.gz NHKUVOFTLLXHSV-UHFFFAOYSA-N 0 0 386.253 4.369 10 0 GIAERN Cc1nc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)sc1C ZINC000040783159 205072556 /nfs/dbraw/zinc/07/25/56/205072556.db2.gz ORJFYDXJNIQKGG-UHFFFAOYSA-N 0 0 392.282 4.431 10 0 GIAERN COC(=O)c1ccccc1N(C)c1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040781864 205072884 /nfs/dbraw/zinc/07/28/84/205072884.db2.gz BVCXAYJQIXHPPM-UHFFFAOYSA-N 0 0 383.839 4.010 10 0 GIAERN COCc1nnc(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)s1 ZINC000040870622 205074477 /nfs/dbraw/zinc/07/44/77/205074477.db2.gz LISMWEAKZYSPOH-UHFFFAOYSA-N 0 0 391.537 4.416 10 0 GIAERN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCc2ccccc21 ZINC000047882379 205111626 /nfs/dbraw/zinc/11/16/26/205111626.db2.gz BBEFBIOOISMXBM-SJCJKPOMSA-N 0 0 391.298 4.306 10 0 GIAERN Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1C1CCCC1 ZINC000065075035 205210128 /nfs/dbraw/zinc/21/01/28/205210128.db2.gz SQHNXRAFFGDOMZ-XMMPIXPASA-N 0 0 376.500 4.011 10 0 GIAERN COc1ccc(-c2nccc([C@H]3CCCN(C(=O)Cc4cccs4)C3)n2)cc1 ZINC000065135547 205212322 /nfs/dbraw/zinc/21/23/22/205212322.db2.gz RIGANBJPJPGNAH-KRWDZBQOSA-N 0 0 393.512 4.162 10 0 GIAERN CC[C@H]1CCCCN1C(=O)CCNc1c(-c2cccc(F)c2)nc2cnccn21 ZINC000064759280 205193512 /nfs/dbraw/zinc/19/35/12/205193512.db2.gz ZOXAHTULFFHHPW-SFHVURJKSA-N 0 0 395.482 4.129 10 0 GIAERN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nnc(C3CCCC3)o2)co1 ZINC000065246688 205222172 /nfs/dbraw/zinc/22/21/72/205222172.db2.gz FJNZFFPSHVYTFB-UHFFFAOYSA-N 0 0 387.461 4.202 10 0 GIAERN Clc1cccc(N2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)c1 ZINC000067285265 205243507 /nfs/dbraw/zinc/24/35/07/205243507.db2.gz BZYGGDACEJPZNW-UHFFFAOYSA-N 0 0 395.919 4.438 10 0 GIAERN COc1cc(-c2nc(CN(C)Cc3ccc4nccnc4c3)c(C)o2)ccc1F ZINC000067885240 205267293 /nfs/dbraw/zinc/26/72/93/205267293.db2.gz MPXZOSLKIBEBPY-UHFFFAOYSA-N 0 0 392.434 4.373 10 0 GIAERN CC(C)(C)OC(=O)N1CCC([C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000080692468 205385446 /nfs/dbraw/zinc/38/54/46/205385446.db2.gz JQSDKAVJJGIXDY-OAHLLOKOSA-N 0 0 375.387 4.266 10 0 GIAERN CC(C)(C)OC(=O)N[C@H](CNC(=O)OCc1ccccc1)Cc1ccccc1 ZINC000083259257 205389581 /nfs/dbraw/zinc/38/95/81/205389581.db2.gz PCVYKFUFGNYJIF-IBGZPJMESA-N 0 0 384.476 4.049 10 0 GIAERN CCC[C@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)Nc2ccccc2)NC1=O ZINC000094992724 205436405 /nfs/dbraw/zinc/43/64/05/205436405.db2.gz ZIVNWKFRBJNKRI-ZDUSSCGKSA-N 0 0 375.494 4.044 10 0 GIAERN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Br)cc2Cl)C1 ZINC000095643230 205504957 /nfs/dbraw/zinc/50/49/57/205504957.db2.gz NNHIZVJTGUMGOW-CYBMUJFWSA-N 0 0 376.678 4.411 10 0 GIAERN NC(=O)c1cn(C(=O)c2cccc3c(Br)cccc23)c2ccccc12 ZINC000226366085 205691235 /nfs/dbraw/zinc/69/12/35/205691235.db2.gz GJIDAJVLYNSCGM-UHFFFAOYSA-N 0 0 393.240 4.344 10 0 GIAERN CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Br)cc1F ZINC000027978203 206023689 /nfs/dbraw/zinc/02/36/89/206023689.db2.gz WKTRMIYXLBWDDQ-CQSZACIVSA-N 0 0 396.212 4.113 10 0 GIAERN COc1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)c1 ZINC000027643246 206032880 /nfs/dbraw/zinc/03/28/80/206032880.db2.gz ZUEBDFIPWGEYSB-UHFFFAOYSA-N 0 0 380.427 4.107 10 0 GIAERN Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)o1 ZINC000028241773 206037237 /nfs/dbraw/zinc/03/72/37/206037237.db2.gz CDJJBDLCRQAREX-UHFFFAOYSA-N 0 0 394.406 4.111 10 0 GIAERN Cc1cc(C(=O)Nc2nn(Cc3ccccc3F)cc2Br)c(C)o1 ZINC000028573809 206046978 /nfs/dbraw/zinc/04/69/78/206046978.db2.gz UMRCCDSNKACFHN-UHFFFAOYSA-N 0 0 392.228 4.295 10 0 GIAERN CN(Cc1ccnn1C)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 ZINC000028229230 206036260 /nfs/dbraw/zinc/03/62/60/206036260.db2.gz YQUOKIMTNGPOCY-UHFFFAOYSA-N 0 0 381.476 4.162 10 0 GIAERN COc1cccc(C(=O)Nc2ccn(Cc3cccc4ccccc43)n2)c1OC ZINC000032647556 206090844 /nfs/dbraw/zinc/09/08/44/206090844.db2.gz FFVALRISXGHGGC-UHFFFAOYSA-N 0 0 387.439 4.354 10 0 GIAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000032609801 206091471 /nfs/dbraw/zinc/09/14/71/206091471.db2.gz AUFRGQOYHRXDDM-WDEREUQCSA-N 0 0 382.243 4.367 10 0 GIAERN O=C(NC1CCCCCC1)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023616 136158678 /nfs/dbraw/zinc/15/86/78/136158678.db2.gz JEQGDKOBRQKWDS-IBGZPJMESA-N 0 0 378.520 4.199 10 0 GIAERN O=C(Nc1cccc(F)c1)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023639 136158700 /nfs/dbraw/zinc/15/87/00/136158700.db2.gz ATMAHGDUNZCCDI-KRWDZBQOSA-N 0 0 376.435 4.138 10 0 GIAERN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095074501 136177722 /nfs/dbraw/zinc/17/77/22/136177722.db2.gz WWIGVNHCYPWDQN-MRXNPFEDSA-N 0 0 397.523 4.040 10 0 GIAERN Cc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c(Cl)c1 ZINC000224146471 136206232 /nfs/dbraw/zinc/20/62/32/136206232.db2.gz CGGIZJXPQUFPLF-UHFFFAOYSA-N 0 0 388.903 4.139 10 0 GIAERN CCCC(=O)Nc1ccc2c(c1)C[C@H](C(=O)N[C@H](C)CCc1ccccc1)CO2 ZINC000065081813 222099702 /nfs/dbraw/zinc/09/97/02/222099702.db2.gz VMCXXQMJRZVVQZ-XLIONFOSSA-N 0 0 394.515 4.114 10 0 GIAERN CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H](C)C1 ZINC000073657167 520009325 /nfs/dbraw/zinc/00/93/25/520009325.db2.gz AMZJLRODNSYOII-AEFFLSMTSA-N 0 0 376.497 4.433 10 0 GIAERN Cc1ccccc1-n1c(O)c(C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000000723618 525221718 /nfs/dbraw/zinc/22/17/18/525221718.db2.gz DNPUMLAWJVRBIN-OAQYLSRUSA-N 0 0 384.435 4.026 10 0 GIAERN CCOC(=O)[C@@H](CCC1CCCCC1)N[C@@H](C)C(=O)OCc1ccccc1 ZINC000504619681 527780169 /nfs/dbraw/zinc/78/01/69/527780169.db2.gz WNKAZEBODVQDJS-FXAWDEMLSA-N 0 0 375.509 4.000 10 0 GIAERN CCCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)ncn1 ZINC000065244819 535193787 /nfs/dbraw/zinc/19/37/87/535193787.db2.gz JBYAUWWMAWWUOO-OALUTQOASA-N 0 0 395.551 4.173 10 0 GIAERN O=C(Nc1ccccc1F)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734751 570224498 /nfs/dbraw/zinc/22/44/98/570224498.db2.gz GJGHPHAFXOOBEJ-UHFFFAOYSA-N 0 0 382.464 4.199 10 0 GIAERN O=C(c1cc(-c2cn[nH]c2)nc2ccccc21)N1CC[C@@H](c2ccccc2F)C1 ZINC000023312354 570237234 /nfs/dbraw/zinc/23/72/34/570237234.db2.gz RLOGSVRHSJMWEA-OAHLLOKOSA-N 0 0 386.430 4.394 10 0 GIAERN Cc1ccc2nc(-c3ccc(NC(=O)CNCc4ccccn4)cc3)sc2c1 ZINC000020407808 570254937 /nfs/dbraw/zinc/25/49/37/570254937.db2.gz ALKWGNZUHBWDTM-UHFFFAOYSA-N 0 0 388.496 4.395 10 0 GIAERN CN1CCN(C(=O)c2cc3sccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000034678443 570294762 /nfs/dbraw/zinc/29/47/62/570294762.db2.gz KBQFUPNKDPLYOC-UHFFFAOYSA-N 0 0 395.572 4.436 10 0 GIAERN Nc1cccc2c1OCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000725259808 570306507 /nfs/dbraw/zinc/30/65/07/570306507.db2.gz JMGCXWQTNCZJQP-UHFFFAOYSA-N 0 0 386.451 4.412 10 0 GIAERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118912674 570366466 /nfs/dbraw/zinc/36/64/66/570366466.db2.gz HWAOMBULLIBDHL-YNQBBYOGSA-N 0 0 390.520 4.072 10 0 GIAERN CCc1cc(C)nc2cc(I)c(Br)cc12 ZINC000669372403 570372273 /nfs/dbraw/zinc/37/22/73/570372273.db2.gz NPIIAKPYEIKQTE-UHFFFAOYSA-N 0 0 376.035 4.473 10 0 GIAERN Cc1ccc(C)c(C(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1 ZINC000033039832 570678544 /nfs/dbraw/zinc/67/85/44/570678544.db2.gz WMXODCBUABMLOT-UHFFFAOYSA-N 0 0 382.460 4.272 10 0 GIAERN O=C(NC1(c2ccccc2)CC1)c1cc(COc2cccc3cccnc32)on1 ZINC000012703530 570699605 /nfs/dbraw/zinc/69/96/05/570699605.db2.gz LJOOCJRREPTEKM-UHFFFAOYSA-N 0 0 385.423 4.221 10 0 GIAERN CC[C@H](C)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000169793595 570701759 /nfs/dbraw/zinc/70/17/59/570701759.db2.gz ACGMUZYAXNVXED-CDXJDZJCSA-N 0 0 382.479 4.334 10 0 GIAERN CC(C)(C)C1CCC(C(=O)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)CC1 ZINC000012791417 570714310 /nfs/dbraw/zinc/71/43/10/570714310.db2.gz IJQFJDDBGXBPAR-MHJFOBGBSA-N 0 0 389.561 4.178 10 0 GIAERN O=C(c1ccc(Cl)nc1)N1CCC(CCOCc2ccccc2F)CC1 ZINC000065180489 570722107 /nfs/dbraw/zinc/72/21/07/570722107.db2.gz TZWZSSASVNJABD-UHFFFAOYSA-N 0 0 376.859 4.333 10 0 GIAERN Cn1cccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000002413559 570722929 /nfs/dbraw/zinc/72/29/29/570722929.db2.gz QRBVNQGJAZZPMO-UKTHLTGXSA-N 0 0 379.304 4.193 10 0 GIAERN COc1cccc(Oc2ccnc(-c3ccc(C(=O)NC(C)(C)C)cc3)n2)c1 ZINC000033130397 570820914 /nfs/dbraw/zinc/82/09/14/570820914.db2.gz VAZGVKARMNSVOM-UHFFFAOYSA-N 0 0 377.444 4.473 10 0 GIAERN O=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000022483695 570899311 /nfs/dbraw/zinc/89/93/11/570899311.db2.gz JDYGLJXEMJYMFG-INIZCTEOSA-N 0 0 394.425 4.277 10 0 GIAERN Cc1cc(NC(=O)c2cccc(Br)c2)cc(Br)c1O ZINC000226242847 570935116 /nfs/dbraw/zinc/93/51/16/570935116.db2.gz MGZSRJXDGSMNLT-UHFFFAOYSA-N 0 0 385.055 4.478 10 0 GIAERN COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(F)cc1 ZINC000226288071 570936263 /nfs/dbraw/zinc/93/62/63/570936263.db2.gz MGLACAQKJDNOPA-UHFFFAOYSA-N 0 0 376.387 4.247 10 0 GIAERN O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Br)c1ccco1 ZINC000226287607 570936393 /nfs/dbraw/zinc/93/63/93/570936393.db2.gz HQWXVGVDAJXNPB-UHFFFAOYSA-N 0 0 397.228 4.455 10 0 GIAERN COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(Cl)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000012716906 570967674 /nfs/dbraw/zinc/96/76/74/570967674.db2.gz MOKGGDUJJZUEEJ-LEDOBFOHSA-N 0 0 396.918 4.287 10 0 GIAERN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C)c1-c1cccc(Cl)c1 ZINC000028284576 203786126 /nfs/dbraw/zinc/78/61/26/203786126.db2.gz XDRUYFFGTBCMNS-ZDUSSCGKSA-N 0 0 379.865 4.281 10 0 GIAERN O=C(c1ccc(F)cc1)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000026008567 203835304 /nfs/dbraw/zinc/83/53/04/203835304.db2.gz WXEOVZHKJXFPPI-GOSISDBHSA-N 0 0 379.218 4.100 10 0 GIAERN CCOC(=O)c1cc(CC)sc1NC(=O)COc1cc(C)cc(C)c1C ZINC000001944425 203923099 /nfs/dbraw/zinc/92/30/99/203923099.db2.gz BHQQMOQLMWGGBP-UHFFFAOYSA-N 0 0 375.490 4.430 10 0 GIAERN COC(=O)c1sc2ncn3nc([C@@H]4C[C@H]4c4ccc(C)cc4)nc3c2c1C ZINC000002791130 203962889 /nfs/dbraw/zinc/96/28/89/203962889.db2.gz KUSNVBHADIGVQQ-UONOGXRCSA-N 0 0 378.457 4.014 10 0 GIAERN CC(C)CCOc1ccc(C(=O)CC[NH2+][C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000002922273 203973959 /nfs/dbraw/zinc/97/39/59/203973959.db2.gz IZFAOMJBZAXUKC-NRFANRHFSA-N 0 0 383.488 4.490 10 0 GIAERN CNC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCCC2 ZINC000004348768 204040466 /nfs/dbraw/zinc/04/04/66/204040466.db2.gz QXCMNVDMWUTSFL-UHFFFAOYSA-N 0 0 399.335 4.063 10 0 GIAERN O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(Br)cc1 ZINC000004348325 204041084 /nfs/dbraw/zinc/04/10/84/204041084.db2.gz BZCHFHQCYQVZGZ-UHFFFAOYSA-N 0 0 377.219 4.040 10 0 GIAERN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(ccc3ccccc23)s1 ZINC000004348045 204041209 /nfs/dbraw/zinc/04/12/09/204041209.db2.gz WSVMGPPFKANDJS-UHFFFAOYSA-N 0 0 396.493 4.252 10 0 GIAERN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000005045355 204106398 /nfs/dbraw/zinc/10/63/98/204106398.db2.gz FMLXVRUEXBKGLP-HNNXBMFYSA-N 0 0 379.485 4.173 10 0 GIAERN FC(F)(F)CO[C@@H]1CC[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000006091993 204164030 /nfs/dbraw/zinc/16/40/30/204164030.db2.gz ULCWZQJLFZEXCS-KBPBESRZSA-N 0 0 396.196 4.196 10 0 GIAERN CN1c2ccccc2C(C)(C)/C1=C/C=C1/NC(=S)N(c2ccccc2)C1=O ZINC000005586027 204142170 /nfs/dbraw/zinc/14/21/70/204142170.db2.gz KRBMRENDYHRNEW-KGLWARJVSA-N 0 0 375.497 4.103 10 0 GIAERN Cc1ccsc1-c1nnc2n1c1ccccc1c(=O)n2Cc1ccc(C)cc1 ZINC000006781161 204204285 /nfs/dbraw/zinc/20/42/85/204204285.db2.gz ZHDDPQUBUVSNDK-UHFFFAOYSA-N 0 0 386.480 4.438 10 0 GIAERN CCOc1ccc(OCC)c(NC(=O)[C@@H](C)n2sc3ccccc3c2=O)c1 ZINC000006799986 204208166 /nfs/dbraw/zinc/20/81/66/204208166.db2.gz DZWAWQWDJTZRFF-CYBMUJFWSA-N 0 0 386.473 4.060 10 0 GIAERN CCCN(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)c1ccco1 ZINC000006694895 204191701 /nfs/dbraw/zinc/19/17/01/204191701.db2.gz KDRXKNZVGXOZTR-UHFFFAOYSA-N 0 0 395.459 4.243 10 0 GIAERN Cc1c(C)c(C(=O)NCCc2ccccn2)n(Cc2ccc(F)cc2F)c1C ZINC000006710946 204193449 /nfs/dbraw/zinc/19/34/49/204193449.db2.gz TWDIBJYIDSTKPZ-UHFFFAOYSA-N 0 0 383.442 4.107 10 0 GIAERN COc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000006725211 204195378 /nfs/dbraw/zinc/19/53/78/204195378.db2.gz YUGXFUOPNIRBGK-WOJBJXKFSA-N 0 0 392.480 4.306 10 0 GIAERN CCn1cc([C@H](CC(=O)NC2CC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000006724658 204195415 /nfs/dbraw/zinc/19/54/15/204195415.db2.gz ZPJLWOWUXQVDCW-OAQYLSRUSA-N 0 0 392.499 4.479 10 0 GIAERN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)N1CCc2ccccc21 ZINC000007005678 204229626 /nfs/dbraw/zinc/22/96/26/204229626.db2.gz XYLFLGFBBOIOPQ-UHFFFAOYSA-N 0 0 382.467 4.483 10 0 GIAERN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H](C)c3ccncc3)cc12 ZINC000007184516 204235043 /nfs/dbraw/zinc/23/50/43/204235043.db2.gz BHKCELVVSGYKIH-ZDUSSCGKSA-N 0 0 394.475 4.480 10 0 GIAERN CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)c1cccnc1 ZINC000067890289 204297313 /nfs/dbraw/zinc/29/73/13/204297313.db2.gz QMTZDFXZXNYGAY-UTKZUKDTSA-N 0 0 391.471 4.036 10 0 GIAERN CC(C)n1nccc1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000008156816 204264818 /nfs/dbraw/zinc/26/48/18/204264818.db2.gz GVNCEDQXFLPDDS-UHFFFAOYSA-N 0 0 396.516 4.281 10 0 GIAERN O=C(c1cn2ccsc2n1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000011664731 204349949 /nfs/dbraw/zinc/34/99/49/204349949.db2.gz QQKISEISARSZBL-FQEVSTJZSA-N 0 0 399.479 4.060 10 0 GIAERN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCn2cccc2[C@@H]1C ZINC000011946211 204364422 /nfs/dbraw/zinc/36/44/22/204364422.db2.gz KBGQZFDTBBZIPC-LBPRGKRZSA-N 0 0 385.851 4.410 10 0 GIAERN O=C(NCCCOc1cccnc1)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000012300037 204391429 /nfs/dbraw/zinc/39/14/29/204391429.db2.gz NDYMXCPWCFCPIF-UHFFFAOYSA-N 0 0 379.460 4.469 10 0 GIAERN O=C(Cc1ccsc1)N1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1 ZINC000012315524 204394940 /nfs/dbraw/zinc/39/49/40/204394940.db2.gz UGXNOYACWPLXET-UHFFFAOYSA-N 0 0 394.496 4.428 10 0 GIAERN Cc1ccc(NC(=S)Nc2ncn(Cc3ccc(F)cc3)n2)cc1Cl ZINC000013773361 204513688 /nfs/dbraw/zinc/51/36/88/204513688.db2.gz IWVDLVUYTFFVPI-UHFFFAOYSA-N 0 0 375.860 4.236 10 0 GIAERN CCC(=O)Nc1nc2c(cc(NC(=O)NC3CCCCC3)cc2OC)s1 ZINC000033008492 204937747 /nfs/dbraw/zinc/93/77/47/204937747.db2.gz VFYLHKPUZIXGDZ-UHFFFAOYSA-N 0 0 376.482 4.108 10 0 GIAERN COc1cc(/C=C\C(=O)Nc2cccc(Br)c2)cc(OC)c1OC ZINC000033313655 204959679 /nfs/dbraw/zinc/95/96/79/204959679.db2.gz OAWMMVFTMKYAPZ-FPLPWBNLSA-N 0 0 392.249 4.127 10 0 GIAERN Cc1ccc(C(=O)N(C)C(C)C)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000034675828 204970849 /nfs/dbraw/zinc/97/08/49/204970849.db2.gz GZQZTVOLMGQWLZ-UHFFFAOYSA-N 0 0 397.494 4.029 10 0 GIAERN CCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)C(=O)C(C)C ZINC000036249618 205009558 /nfs/dbraw/zinc/00/95/58/205009558.db2.gz UZKOHCUGPDYTQV-UHFFFAOYSA-N 0 0 387.549 4.289 10 0 GIAERN CCc1cc(-c2nccs2)nnc1Cn1ccnc1-c1cccc(F)c1F ZINC000038934403 205040655 /nfs/dbraw/zinc/04/06/55/205040655.db2.gz FKTVSENZUYNFPF-UHFFFAOYSA-N 0 0 383.427 4.353 10 0 GIAERN Cc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1C ZINC000037521057 205027272 /nfs/dbraw/zinc/02/72/72/205027272.db2.gz KQSKIHMCBRKSFC-ZDUSSCGKSA-N 0 0 377.271 4.179 10 0 GIAERN O=c1/c(=C\c2cccc3ccccc23)sc2nc(/C=C/c3ccc(F)cc3)nn12 ZINC000039835522 205044334 /nfs/dbraw/zinc/04/43/34/205044334.db2.gz KHSSJFKTXHBKSP-IKVNRTJKSA-N 0 0 399.450 4.161 10 0 GIAERN COc1ccc(Oc2ncnc(Oc3ccc(Br)cc3)c2N)cc1 ZINC000040802233 205072404 /nfs/dbraw/zinc/07/24/04/205072404.db2.gz PUKOISVSWZNOPW-UHFFFAOYSA-N 0 0 388.221 4.415 10 0 GIAERN Cc1ccc(Nc2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)nc1 ZINC000040798934 205072755 /nfs/dbraw/zinc/07/27/55/205072755.db2.gz MXYGUTDCXOMJNE-UHFFFAOYSA-N 0 0 395.776 4.317 10 0 GIAERN COc1cc(OC)c(Nc2ncnc(Nc3ccc(F)cc3)c2N)cc1Cl ZINC000040782502 205072888 /nfs/dbraw/zinc/07/28/88/205072888.db2.gz ICZLQFHFOBRVBZ-UHFFFAOYSA-N 0 0 389.818 4.356 10 0 GIAERN CCOc1ccccc1NC(=O)COc1c(C)cc(Br)cc1C ZINC000040865834 205074681 /nfs/dbraw/zinc/07/46/81/205074681.db2.gz ZJQYRJQSCBSRBN-UHFFFAOYSA-N 0 0 378.266 4.482 10 0 GIAERN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000057478507 205157767 /nfs/dbraw/zinc/15/77/67/205157767.db2.gz KMSBERWDUIWINR-UHFFFAOYSA-N 0 0 393.921 4.252 10 0 GIAERN CC[C@H](C)NC(=O)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957128 205201788 /nfs/dbraw/zinc/20/17/88/205201788.db2.gz DXVPMSUOOSTPLE-KRWDZBQOSA-N 0 0 392.503 4.121 10 0 GIAERN Cc1ccc(-n2cc3c(c(C(=O)NCCC(C)C)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000411 205205737 /nfs/dbraw/zinc/20/57/37/205205737.db2.gz TYSQGZHWDPXHDT-UHFFFAOYSA-N 0 0 394.515 4.077 10 0 GIAERN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccc4c(c3)OCCO4)nc2cc1C ZINC000064439047 205189935 /nfs/dbraw/zinc/18/99/35/205189935.db2.gz QQVBFSPNMZUOJY-UHFFFAOYSA-N 0 0 393.443 4.057 10 0 GIAERN CC(=O)Nc1cccc(-c2cncc(C(=O)NCc3cccc(Cl)c3)c2)c1 ZINC000064757249 205193654 /nfs/dbraw/zinc/19/36/54/205193654.db2.gz DTIMPMXPTSQNAC-UHFFFAOYSA-N 0 0 379.847 4.290 10 0 GIAERN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O ZINC000065734640 205239691 /nfs/dbraw/zinc/23/96/91/205239691.db2.gz GDUPBUZZJUIEDX-YHYVJRSVSA-N 0 0 378.512 4.453 10 0 in-vitro GIAERN CC(=O)N1CCC(Nc2ccc3[nH]nc(-c4cc5ccc(C)cc5[nH]4)c3c2)CC1 ZINC000066077220 205240323 /nfs/dbraw/zinc/24/03/23/205240323.db2.gz IDRFTNZFOBWQKE-UHFFFAOYSA-N 0 0 387.487 4.442 10 0 GIAERN CCn1ccc2oc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1=O ZINC000065230329 205220288 /nfs/dbraw/zinc/22/02/88/205220288.db2.gz GRSKYDOHVRRELZ-UHFFFAOYSA-N 0 0 378.472 4.018 10 0 GIAERN COC(=O)[C@@](C)(Cc1ccc(Oc2cc(Cl)nc(N)n2)cc1)c1ccccc1 ZINC000071973539 205299995 /nfs/dbraw/zinc/29/99/95/205299995.db2.gz LUUVPZWJAPJSTP-NRFANRHFSA-N 0 0 397.862 4.178 10 0 GIAERN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(NC(N)=O)cc1 ZINC000072009339 205301871 /nfs/dbraw/zinc/30/18/71/205301871.db2.gz HXYPQOWZCBNNNZ-MNOVXSKESA-N 0 0 396.274 4.129 10 0 GIAERN O=C([C@H]1CCC(=O)N(C2CCCCCC2)C1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000015074380 205357916 /nfs/dbraw/zinc/35/79/16/205357916.db2.gz YVNOYNBTKJNZAS-FQEVSTJZSA-N 0 0 398.522 4.403 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H]1CNc1nc2ccccc2nc1NC1CC1 ZINC000095085734 205438030 /nfs/dbraw/zinc/43/80/30/205438030.db2.gz OWUWSCJBVRHIQQ-HNNXBMFYSA-N 0 0 383.496 4.016 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(CCOc2cccc(Br)n2)CC1 ZINC000095083749 205438562 /nfs/dbraw/zinc/43/85/62/205438562.db2.gz QWGZODIZPFJHED-UHFFFAOYSA-N 0 0 385.302 4.260 10 0 GIAERN Cc1nnc(SCc2cccc(C(=O)N3CCCC3)c2)n1Cc1ccccc1 ZINC000096294272 205556892 /nfs/dbraw/zinc/55/68/92/205556892.db2.gz NOJYWCNQGBCBQN-UHFFFAOYSA-N 0 0 392.528 4.163 10 0 GIAERN COC(=O)c1c(C)n(C(=O)Cc2ccc(Br)cc2)c2ccccc21 ZINC000226366167 205691055 /nfs/dbraw/zinc/69/10/55/205691055.db2.gz WMWAUFDJYJTCJK-UHFFFAOYSA-N 0 0 386.245 4.382 10 0 GIAERN Cc1nn(CCC(=O)Nc2nc3c(cccc3C)s2)c(C)c1Br ZINC000027969292 206021634 /nfs/dbraw/zinc/02/16/34/206021634.db2.gz LIVXBQKZPNLFMI-UHFFFAOYSA-N 0 0 393.310 4.209 10 0 GIAERN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ncc(Br)s3)cc2)n1 ZINC000027970490 206022354 /nfs/dbraw/zinc/02/23/54/206022354.db2.gz RWAFCRQFOBOBHO-UHFFFAOYSA-N 0 0 391.294 4.020 10 0 GIAERN COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1Cl ZINC000027969588 206022489 /nfs/dbraw/zinc/02/24/89/206022489.db2.gz LCAMRNBPGAHTJU-UHFFFAOYSA-N 0 0 376.243 4.499 10 0 GIAERN CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000027978378 206023297 /nfs/dbraw/zinc/02/32/97/206023297.db2.gz HPPFHVRDPXCBKH-CQSZACIVSA-N 0 0 385.313 4.369 10 0 GIAERN CC(=O)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1 ZINC000027976683 206023445 /nfs/dbraw/zinc/02/34/45/206023445.db2.gz WJNGLJCMCUWMMI-UHFFFAOYSA-N 0 0 375.424 4.260 10 0 GIAERN O=C(Nc1cccc2cccnc21)c1ccc(Cn2cc(Br)cn2)o1 ZINC000027980985 206024251 /nfs/dbraw/zinc/02/42/51/206024251.db2.gz FBHHQFKCBUZWAN-UHFFFAOYSA-N 0 0 397.232 4.087 10 0 GIAERN C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1F)n1cc(Br)cn1 ZINC000028224180 206033865 /nfs/dbraw/zinc/03/38/65/206033865.db2.gz DBYQBAAAFFKSGW-SSDOTTSWSA-N 0 0 380.139 4.003 10 0 GIAERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccn(Cc2ccc(F)cc2)n1 ZINC000028225315 206034727 /nfs/dbraw/zinc/03/47/27/206034727.db2.gz VVKGULKLFJFWSE-CQSZACIVSA-N 0 0 387.842 4.438 10 0 GIAERN CCCn1c2ccccc2nc1NC(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C ZINC000028235135 206037520 /nfs/dbraw/zinc/03/75/20/206037520.db2.gz XRHSALOBWCHXGR-LBPRGKRZSA-N 0 0 393.413 4.245 10 0 GIAERN Cc1cc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)n(C2CCCC2)n1 ZINC000028240265 206037787 /nfs/dbraw/zinc/03/77/87/206037787.db2.gz XVYMIOULIVTXFE-UHFFFAOYSA-N 0 0 399.882 4.445 10 0 GIAERN COc1cccc(NC(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)c1 ZINC000032610412 206090158 /nfs/dbraw/zinc/09/01/58/206090158.db2.gz DPMIISVCQMAVDA-UHFFFAOYSA-N 0 0 390.802 4.365 10 0 GIAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000032609802 206091420 /nfs/dbraw/zinc/09/14/20/206091420.db2.gz AUFRGQOYHRXDDM-QWRGUYRKSA-N 0 0 382.243 4.367 10 0 GIAERN COc1cccc(Cn2nc(C)c(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2C)c1 ZINC000032609756 206091510 /nfs/dbraw/zinc/09/15/10/206091510.db2.gz PYCKTILSOOOKEW-SFTDATJTSA-N 0 0 375.472 4.299 10 0 GIAERN COC(=O)[C@@](C)(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000252496799 206139667 /nfs/dbraw/zinc/13/96/67/206139667.db2.gz PSAPJICIAGYZNW-DEOSSOPVSA-N 0 0 390.479 4.167 10 0 GIAERN CCOC(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000253564909 206149078 /nfs/dbraw/zinc/14/90/78/206149078.db2.gz HBUVQGIGKSITEC-UHFFFAOYSA-N 0 0 390.402 4.189 10 0 GIAERN COc1ccc(C(=O)Nc2ccc3c(c2)ncnc3N2CCCCC2)cc1F ZINC000065135005 136159524 /nfs/dbraw/zinc/15/95/24/136159524.db2.gz GEDIZCGTPUVZTI-UHFFFAOYSA-N 0 0 380.423 4.020 10 0 GIAERN CCOC(=O)[C@@H]1c2ccc(Br)cc2CCN1c1ccc(F)cc1 ZINC000095743872 136182453 /nfs/dbraw/zinc/18/24/53/136182453.db2.gz ZAMMVVLIMMMOPC-KRWDZBQOSA-N 0 0 378.241 4.255 10 0 GIAERN CC(=O)C[C@@H]1c2cc3c(cc2-c2ccc4cc5c(cc4c2N1C)OCO5)OCO3 ZINC000013304758 136200963 /nfs/dbraw/zinc/20/09/63/136200963.db2.gz GJBHZMIAIYWRBK-GOSISDBHSA-N 0 0 389.407 4.434 10 0 biogenic,in-vitro GIAERN COc1ccc(-c2cc(C(=O)NCc3csc(-c4ccccc4)n3)[nH]n2)cc1 ZINC000028246540 221671928 /nfs/dbraw/zinc/67/19/28/221671928.db2.gz PDFNVMAGECMQNW-UHFFFAOYSA-N 0 0 390.468 4.139 10 0 GIAERN O=C(NCc1ccco1)c1ccc(COc2ccccc2Br)o1 ZINC000027970762 526778254 /nfs/dbraw/zinc/77/82/54/526778254.db2.gz ZYRAZEKFGDPLGO-UHFFFAOYSA-N 0 0 376.206 4.144 10 0 GIAERN COc1ccc(C(=O)Nc2cc(N3C[C@H](C)C[C@@H](C)C3)c(C)cc2N)cc1OC ZINC000226331392 536776192 /nfs/dbraw/zinc/77/61/92/536776192.db2.gz CQOMSENLQRVHLA-HUUCEWRRSA-N 0 0 397.519 4.329 10 0 GIAERN COc1ccc2c(c1OC)[C@@H](OC)N(C)c1c-2ccc2cc3c(cc21)OCO3 ZINC000001531458 560181544 /nfs/dbraw/zinc/18/15/44/560181544.db2.gz LVWAKZBZWYHYCJ-JOCHJYFZSA-N 0 0 379.412 4.348 10 0 in-vitro GIAERN CC(C)(C)OC(=O)NCCN1Sc2ccc(Br)cc2S1 ZINC000521400017 570240354 /nfs/dbraw/zinc/24/03/54/570240354.db2.gz PFLFDCLHMZPIGF-UHFFFAOYSA-N 0 0 377.329 4.304 10 0 GIAERN CC(=O)Nc1ccc(SC(=O)c2cc(C)n(Cc3ccc(C)cc3)n2)cc1 ZINC000001324175 570260480 /nfs/dbraw/zinc/26/04/80/570260480.db2.gz XHTIYSMBUXTLOS-UHFFFAOYSA-N 0 0 379.485 4.439 10 0 GIAERN CC(C)(C)c1cc2nc(C(=O)NCc3ccco3)cc(-c3ccccc3F)n2n1 ZINC000034832375 570335428 /nfs/dbraw/zinc/33/54/28/570335428.db2.gz QGWXJDBWBDDWFS-UHFFFAOYSA-N 0 0 392.434 4.356 10 0 GIAERN COc1ccc([C@@H]2CCc3nc(C(=O)Nc4ccc(F)cc4)cn3C2)c(OC)c1 ZINC000034899157 570343332 /nfs/dbraw/zinc/34/33/32/570343332.db2.gz QUQLQWZSGCXMLZ-CQSZACIVSA-N 0 0 395.434 4.022 10 0 GIAERN O=C(Nc1ccc2c(c1)OCCO2)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429939 570358011 /nfs/dbraw/zinc/35/80/11/570358011.db2.gz SCBLSBQTKHJETQ-UHFFFAOYSA-N 0 0 398.422 4.397 10 0 GIAERN CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000026534316 570426580 /nfs/dbraw/zinc/42/65/80/570426580.db2.gz HHCPTVKUBMVRLA-UHFFFAOYSA-N 0 0 382.489 4.262 10 0 GIAERN CC[C@@H](c1ccc(F)c(F)c1)n1c(=S)[nH]c(-c2ccno2)c1C(=O)OC ZINC000035792857 570557640 /nfs/dbraw/zinc/55/76/40/570557640.db2.gz SYARXICKXVXWNA-LBPRGKRZSA-N 0 0 379.388 4.265 10 0 in-vitro GIAERN CC1(C)C=Cc2c(ccc3c(=O)c4c(oc32)COc2cc3c(cc2-4)OCO3)O1 ZINC000003203078 291135543 /nfs/dbraw/zinc/13/55/43/291135543.db2.gz JOEPOINDECTPQI-UHFFFAOYSA-N 0 0 376.364 4.265 10 0 biogenic,in-vitro GIAERN C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1Cl ZINC000007305172 209132791 /nfs/dbraw/zinc/13/27/91/209132791.db2.gz LTPQXJLDUJFLAL-MRVPVSSYSA-N 0 0 380.716 4.204 10 0 GIAERN CCNC(=O)N1[C@H](c2ccc(OC)cc2)CC(=O)[C@H](C)[C@H]1c1ccc(OC)cc1 ZINC000255998108 206286591 /nfs/dbraw/zinc/28/65/91/206286591.db2.gz QWBPPHYOMDHWMW-LVWPNOBMSA-N 0 0 396.487 4.127 10 0 GIAERN O=C(N[C@@H]1CCCC[C@H]1c1ncc2c(Cl)nccn21)OCc1ccccc1 ZINC000261508289 206287936 /nfs/dbraw/zinc/28/79/36/206287936.db2.gz RBFYGPFPKNPIMI-HZPDHXFCSA-N 0 0 384.867 4.335 10 0 GIAERN COC[C@@H]1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1 ZINC000005141094 206293405 /nfs/dbraw/zinc/29/34/05/206293405.db2.gz KFWTVKIBHPHOPT-LBPRGKRZSA-N 0 0 379.685 4.380 10 0 GIAERN O=C(CCc1ccccc1)N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013586754 206295357 /nfs/dbraw/zinc/29/53/57/206295357.db2.gz OFIKKUMQKPOBHQ-KRWDZBQOSA-N 0 0 377.315 4.317 10 0 GIAERN Fc1cccc(F)c1C1=N[C@H](c2ccc(I)cc2)CO1 ZINC000090558623 206298336 /nfs/dbraw/zinc/29/83/36/206298336.db2.gz INUAINVGDXGWMD-ZDUSSCGKSA-N 0 0 385.151 4.088 10 0 GIAERN O=C(CCCN1CCN(c2ccccc2Cl)CC1)Nc1ccc(F)cc1F ZINC000028647143 206302883 /nfs/dbraw/zinc/30/28/83/206302883.db2.gz VQWIFGLMYKBQQJ-UHFFFAOYSA-N 0 0 393.865 4.159 10 0 GIAERN CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc[n+]([O-])cc1 ZINC000034783292 206305635 /nfs/dbraw/zinc/30/56/35/206305635.db2.gz DZZFQGYUOPSJPB-NRFANRHFSA-N 0 0 383.451 4.416 10 0 GIAERN CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCC)c(OC)c2)cc1 ZINC000001934778 206394039 /nfs/dbraw/zinc/39/40/39/206394039.db2.gz YCKHEOZFBGEPIB-NTUHNPAUSA-N 0 0 383.444 4.313 10 0 GIAERN O=C(Nc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(Br)cc1 ZINC000005198659 206597642 /nfs/dbraw/zinc/59/76/42/206597642.db2.gz HZMYECHDNQKAPO-UHFFFAOYSA-N 0 0 396.244 4.349 10 0 GIAERN COc1cc(N[C@@H]2c3ccccc3C(=O)N2c2cc(C)ccn2)cc(OC)c1 ZINC000006737412 206668692 /nfs/dbraw/zinc/66/86/92/206668692.db2.gz DVQTXSRGOBNZCQ-NRFANRHFSA-N 0 0 375.428 4.178 10 0 GIAERN C[C@H]1CSC(N(C(=O)c2cnn(-c3ccccc3)n2)c2ccc(Cl)cc2)=N1 ZINC000006881265 206689420 /nfs/dbraw/zinc/68/94/20/206689420.db2.gz WLSAUBIDPLAZAX-ZDUSSCGKSA-N 0 0 397.891 4.059 10 0 GIAERN COc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)o1 ZINC000011817678 206834177 /nfs/dbraw/zinc/83/41/77/206834177.db2.gz RSBHGEXETDSOQT-KRWDZBQOSA-N 0 0 389.451 4.275 10 0 GIAERN CC(=O)Nc1ccc(C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 ZINC000014381453 207020651 /nfs/dbraw/zinc/02/06/51/207020651.db2.gz SDOHEUYILATDIU-GFCCVEGCSA-N 0 0 387.892 4.437 10 0 GIAERN C[C@H](c1cc(C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)on1)c1ccccc1 ZINC000015007538 207040737 /nfs/dbraw/zinc/04/07/37/207040737.db2.gz GDRMBLBIWHWDMH-AWEZNQCLSA-N 0 0 390.418 4.286 10 0 GIAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(O)cc1 ZINC000015920681 207067353 /nfs/dbraw/zinc/06/73/53/207067353.db2.gz CAQJYRUMBNWUMR-FQEVSTJZSA-N 0 0 397.862 4.017 10 0 GIAERN COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000016087320 207071248 /nfs/dbraw/zinc/07/12/48/207071248.db2.gz BEMWOBPUBWREOO-SNVBAGLBSA-N 0 0 390.288 4.050 10 0 GIAERN CCc1ccccc1N1C[C@H](C(=O)Nc2cccc(Br)c2)CC1=O ZINC000020371656 207190179 /nfs/dbraw/zinc/19/01/79/207190179.db2.gz LRFXSQBQYFVOJZ-CQSZACIVSA-N 0 0 387.277 4.003 10 0 GIAERN Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@H](CCC(=O)N2CCCC2)C1 ZINC000020909816 207220418 /nfs/dbraw/zinc/22/04/18/207220418.db2.gz GCCUHHHIQPUCDQ-GOSISDBHSA-N 0 0 382.504 4.304 10 0 GIAERN COc1ccc(C)cc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1 ZINC000021104528 207226116 /nfs/dbraw/zinc/22/61/16/207226116.db2.gz SUSKNBBHHWKSFB-OAQYLSRUSA-N 0 0 377.419 4.304 10 0 GIAERN Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)c2c1 ZINC000021240786 207228098 /nfs/dbraw/zinc/22/80/98/207228098.db2.gz NIAJORIOCWVSJS-HOTGVXAUSA-N 0 0 394.446 4.413 10 0 GIAERN CN(C)c1ccc(Br)cc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000037976501 207237774 /nfs/dbraw/zinc/23/77/74/207237774.db2.gz JKDKOMHKRLJPLO-UHFFFAOYSA-N 0 0 389.080 4.469 10 0 GIAERN C[C@H](Nc1ccc(F)c(NS(C)(=O)=O)c1)c1ccc(Br)s1 ZINC000038003031 207250099 /nfs/dbraw/zinc/25/00/99/207250099.db2.gz APIQHVGCTUGPQD-QMMMGPOBSA-N 0 0 393.303 4.194 10 0 GIAERN COc1c(Br)cc(Cl)cc1NC(=O)c1ccnc(Cl)c1 ZINC000037979900 207243588 /nfs/dbraw/zinc/24/35/88/207243588.db2.gz ZZYKUWYDUOMJNY-UHFFFAOYSA-N 0 0 376.037 4.412 10 0 GIAERN O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1(c2cccs2)CCCC1 ZINC000038486303 207305573 /nfs/dbraw/zinc/30/55/73/207305573.db2.gz DABJQCIKTCQNPR-UHFFFAOYSA-N 0 0 389.484 4.303 10 0 GIAERN CCOc1ccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)cc1 ZINC000027526383 207325746 /nfs/dbraw/zinc/32/57/46/207325746.db2.gz FJKRGZCXLPCXOK-UHFFFAOYSA-N 0 0 399.450 4.404 10 0 GIAERN O=C1CN(Cc2ccc(Cl)cc2)C[C@@H]2c3cccn3-c3ccccc3CN12 ZINC000027522932 207326364 /nfs/dbraw/zinc/32/63/64/207326364.db2.gz NTFVRGIIXIQBFW-OAQYLSRUSA-N 0 0 377.875 4.030 10 0 GIAERN CC(C)c1ccc(Nc2nnc(SCc3ccc(F)cc3)n(C)c2=O)cc1 ZINC000028537349 207343581 /nfs/dbraw/zinc/34/35/81/207343581.db2.gz XFXYBMWKNGCXTM-UHFFFAOYSA-N 0 0 384.480 4.474 10 0 GIAERN Cc1ccc(CSc2nnc3n2c2ccccc2c(=O)n3CC(C)C)cc1 ZINC000032985493 207426953 /nfs/dbraw/zinc/42/69/53/207426953.db2.gz HWECGZNOFRBVQO-UHFFFAOYSA-N 0 0 378.501 4.301 10 0 GIAERN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)nc2)cc1 ZINC000033139297 207441243 /nfs/dbraw/zinc/44/12/43/207441243.db2.gz YUFSWWPCUNEGRA-NRFANRHFSA-N 0 0 389.455 4.153 10 0 GIAERN CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2cccc(C)c2C)=N1 ZINC000057401795 207752406 /nfs/dbraw/zinc/75/24/06/207752406.db2.gz YDJUQCCFWNPOFD-UHFFFAOYSA-N 0 0 396.516 4.059 10 0 GIAERN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NC1CCCCCC1)CO2)c1cccs1 ZINC000065082311 207832474 /nfs/dbraw/zinc/83/24/74/207832474.db2.gz OULDEFGPGPAZNQ-INIZCTEOSA-N 0 0 398.528 4.391 10 0 GIAERN Cc1ccc2nc(-c3ccco3)nc(NCCNC(=O)c3cccs3)c2c1 ZINC000085412402 208100758 /nfs/dbraw/zinc/10/07/58/208100758.db2.gz QSPZHMFPULCAIL-UHFFFAOYSA-N 0 0 378.457 4.102 10 0 GIAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cc(Br)ccc32)CC1 ZINC000091302712 208113159 /nfs/dbraw/zinc/11/31/59/208113159.db2.gz ZYHGCPHMBLZTFS-UHFFFAOYSA-N 0 0 380.282 4.304 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2ccccc2Cl)C2CC2)CC1 ZINC000095083473 208152718 /nfs/dbraw/zinc/15/27/18/208152718.db2.gz HTLAQPQHPSFLAR-UHFFFAOYSA-N 0 0 392.927 4.478 10 0 GIAERN COc1nc2ccccc2nc1OCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095076596 208152915 /nfs/dbraw/zinc/15/29/15/208152915.db2.gz WMJBPZNSLZAERP-HNNXBMFYSA-N 0 0 387.480 4.054 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2cccc(Br)n2)C1 ZINC000095085120 208153595 /nfs/dbraw/zinc/15/35/95/208153595.db2.gz NHMGDFXMHKHVQS-CYBMUJFWSA-N 0 0 385.302 4.260 10 0 GIAERN CC[C@H](CN(C)C(=O)OCc1ccccc1)n1c2ccccc2nc1C(C)=O ZINC000095089606 208154040 /nfs/dbraw/zinc/15/40/40/208154040.db2.gz QRJNAGGMRZRUBY-GOSISDBHSA-N 0 0 379.460 4.459 10 0 GIAERN CCOc1nc2ccccc2nc1NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091812 208154257 /nfs/dbraw/zinc/15/42/57/208154257.db2.gz SSBRQLIQIVKSDR-HNNXBMFYSA-N 0 0 386.496 4.230 10 0 GIAERN CCCCCCN1C(=O)c2c(Br)sc(Br)c2C1=O ZINC000095093187 208155234 /nfs/dbraw/zinc/15/52/34/208155234.db2.gz JEPHHCAUUATEBO-UHFFFAOYSA-N 0 0 395.116 4.449 10 0 GIAERN CC(=O)c1cccc(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C(C)C)C2)c1 ZINC000096125305 208266520 /nfs/dbraw/zinc/26/65/20/208266520.db2.gz CURBFNXUDWSOGF-QGZVFWFLSA-N 0 0 391.475 4.236 10 0 GIAERN COc1ccc([C@H](C)NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1OC ZINC000097168050 208341426 /nfs/dbraw/zinc/34/14/26/208341426.db2.gz MGZOAWCMTUZGGO-LBPRGKRZSA-N 0 0 386.448 4.457 10 0 GIAERN Cc1nn(Cc2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1Br ZINC000027970076 208926519 /nfs/dbraw/zinc/92/65/19/208926519.db2.gz UXUXZNCAKLCUGN-UHFFFAOYSA-N 0 0 390.325 4.373 10 0 GIAERN Cc1ccccc1C(=O)Nc1nnc(SCc2nc3ccccc3[nH]2)s1 ZINC000040311978 209092674 /nfs/dbraw/zinc/09/26/74/209092674.db2.gz QXISWUXSMBCWRJ-UHFFFAOYSA-N 0 0 381.486 4.267 10 0 GIAERN C[C@H](OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000098092163 209018270 /nfs/dbraw/zinc/01/82/70/209018270.db2.gz LKKBIFVMIYWAGA-FXAWDEMLSA-N 0 0 399.487 4.228 10 0 GIAERN CSc1ncc2cc(-c3c(Cl)cccc3Cl)c(=NC(C)=O)n(C)c2n1 ZINC000255962109 209045857 /nfs/dbraw/zinc/04/58/57/209045857.db2.gz AGZYPNVWEUGADC-UHFFFAOYSA-N 0 0 393.299 4.111 10 0 GIAERN COCOc1cc2c(cc1C=O)[C@@H]1CC[C@]3(C)[C@H](OCOC)CC[C@@H]3[C@@H]1CC2 ZINC000256439199 209046801 /nfs/dbraw/zinc/04/68/01/209046801.db2.gz PGRCGHQMTWFDPC-ZEOWEXQCSA-N 0 0 388.504 4.327 10 0 GIAERN COC(=O)[C@@H]1CC(=O)CN1c1cccc2c1[C@H](c1ccccc1)c1ccccc1-2 ZINC000083317379 523669688 /nfs/dbraw/zinc/66/96/88/523669688.db2.gz YFQWZHMUQBJMKW-XZOQPEGZSA-N 0 0 383.447 4.168 10 0 GIAERN Fc1ccccc1CNc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2 ZINC000057343713 526411844 /nfs/dbraw/zinc/41/18/44/526411844.db2.gz JMXVKVPNYOMICP-UHFFFAOYSA-N 0 0 382.870 4.440 10 0 GIAERN CC[C@H](C)[C@H]([C@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)OCc1ccccc1 ZINC000504301490 529266492 /nfs/dbraw/zinc/26/64/92/529266492.db2.gz PCUHBNWYHLQSBO-XKGZKEIXSA-N 0 0 393.524 4.417 10 0 GIAERN C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1 ZINC000006032458 560204700 /nfs/dbraw/zinc/20/47/00/560204700.db2.gz ANFHKXSOSRDDRQ-LLVKDONJSA-N 0 0 383.231 4.112 10 0 in-vitro GIAERN CCCOCCCNC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023309008 570235588 /nfs/dbraw/zinc/23/55/88/570235588.db2.gz YQCATTMQIBSQQK-UHFFFAOYSA-N 0 0 399.441 4.364 10 0 GIAERN Cc1cccc(-c2nnc3c4cc(C)ccc4nc(N4C[C@H](C)O[C@@H](C)C4)n23)c1 ZINC000034699747 570306323 /nfs/dbraw/zinc/30/63/23/570306323.db2.gz MCNUJZHMJPRWPY-IRXDYDNUSA-N 0 0 387.487 4.175 10 0 GIAERN Cc1cccc(-c2nnc3c4cc(C)ccc4nc(N4C[C@@H](C)O[C@H](C)C4)n23)c1 ZINC000034699746 570306445 /nfs/dbraw/zinc/30/64/45/570306445.db2.gz MCNUJZHMJPRWPY-IAGOWNOFSA-N 0 0 387.487 4.175 10 0 GIAERN Nc1ccc2c(c1)OCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000725259812 570306562 /nfs/dbraw/zinc/30/65/62/570306562.db2.gz JONIQFVFKYVIOM-UHFFFAOYSA-N 0 0 386.451 4.412 10 0 GIAERN COc1ccc(NC(=O)C[C@@H]2C[C@@H](C(=O)Nc3ccc(OC)cc3)C2(C)C)cc1 ZINC000003172185 570331605 /nfs/dbraw/zinc/33/16/05/570331605.db2.gz CVSJDFICMNTSJM-YWZLYKJASA-N 0 0 396.487 4.333 10 0 GIAERN C[C@H](NS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000004873389 570352674 /nfs/dbraw/zinc/35/26/74/570352674.db2.gz CDJQEXMYODTYJM-HNNXBMFYSA-N 0 0 377.469 4.269 10 0 GIAERN COc1ccc(C2C(O)=C3C(=C2O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000004337218 570369497 /nfs/dbraw/zinc/36/94/97/570369497.db2.gz GPJTYWLDWLTHOY-KSLQBLBNSA-N 0 0 380.443 4.454 10 0 GIAERN COC(=O)CC1=CC(=O)N(Cc2cc(C)ccc2C)c2cc(C)c(C)cc2N1 ZINC000035480656 570372657 /nfs/dbraw/zinc/37/26/57/570372657.db2.gz YJJLRUIRQBIMDI-UHFFFAOYSA-N 0 0 378.472 4.326 10 0 GIAERN C[C@H](N[C@@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC000035636526 570556793 /nfs/dbraw/zinc/55/67/93/570556793.db2.gz VJVSRTMPQCZFKD-RXVVDRJESA-N 0 0 397.515 4.051 10 0 in-vitro GIAERN Cc1n[nH]c(C)c1CNC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000012313937 570640252 /nfs/dbraw/zinc/64/02/52/570640252.db2.gz PJBIULFCQDJDPK-UHFFFAOYSA-N 0 0 394.862 4.342 10 0 GIAERN CCc1nnc(SCC(=O)N(C)c2ccccc2)c2cc3oc(C)cc3n21 ZINC000006894267 570693856 /nfs/dbraw/zinc/69/38/56/570693856.db2.gz SJOQRTXYQVTICV-UHFFFAOYSA-N 0 0 380.473 4.101 10 0 GIAERN CN(Cc1ccccc1)C(=O)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1 ZINC000064894050 570757014 /nfs/dbraw/zinc/75/70/14/570757014.db2.gz KZNYEGXWAPKDQJ-UHFFFAOYSA-N 0 0 390.414 4.054 10 0 GIAERN CCCCC(=O)Nc1cncc(-c2cc3cnn([C@@H]4CCCCO4)c3cn2)c1 ZINC000498050559 570909127 /nfs/dbraw/zinc/90/91/27/570909127.db2.gz NGBLQQMPEKBWFH-NRFANRHFSA-N 0 0 379.464 4.321 10 0 GIAERN C[C@@H](N[C@@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC000035636528 570948212 /nfs/dbraw/zinc/94/82/12/570948212.db2.gz VJVSRTMPQCZFKD-NQIIRXRSSA-N 0 0 397.515 4.051 10 0 in-vitro GIAERN O=C(c1ccc2ccccc2c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000011705430 206225688 /nfs/dbraw/zinc/22/56/88/206225688.db2.gz QXKZNNGPDNSABY-QFIPXVFZSA-N 0 0 393.508 4.265 10 0 GIAERN O=C(c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1)N1CCC(O)CC1 ZINC000011710910 206226032 /nfs/dbraw/zinc/22/60/32/206226032.db2.gz QLDZOWKZMGKRKV-UHFFFAOYSA-N 0 0 390.361 4.111 10 0 GIAERN COc1cc(CO)cc(CSC)c1OC(=O)c1ccccc1Br ZINC000226288955 206258878 /nfs/dbraw/zinc/25/88/78/206258878.db2.gz NYYLCKCBXRHXHI-UHFFFAOYSA-N 0 0 397.290 4.032 10 0 GIAERN O=C(Nc1cc(S(=O)(=O)c2ccccc2)cs1)c1ccc(Cl)cc1 ZINC000001038669 206291262 /nfs/dbraw/zinc/29/12/62/206291262.db2.gz NDSGGMLXVGLTQF-UHFFFAOYSA-N 0 0 377.874 4.487 10 0 GIAERN CC(=O)Nc1sc2cnccc2c1C(=O)c1ccc(Br)cc1 ZINC000090759796 206297824 /nfs/dbraw/zinc/29/78/24/206297824.db2.gz CJPMXSYNVJGXQU-UHFFFAOYSA-N 0 0 375.247 4.248 10 0 GIAERN NC(=O)c1ccc(-c2cnc3[nH]cc(C(=O)c4ccc(Cl)cc4)c3c2)cc1 ZINC000090486408 206298517 /nfs/dbraw/zinc/29/85/17/206298517.db2.gz OAXCWXZXFBFGSF-UHFFFAOYSA-N 0 0 375.815 4.213 10 0 GIAERN Fc1cccc(F)c1C1=N[C@@H](c2ccc(I)cc2)CO1 ZINC000090558624 206299458 /nfs/dbraw/zinc/29/94/58/206299458.db2.gz INUAINVGDXGWMD-CYBMUJFWSA-N 0 0 385.151 4.088 10 0 GIAERN O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccccc1Cl ZINC000026008465 206302038 /nfs/dbraw/zinc/30/20/38/206302038.db2.gz IGWVISJZEUVEJX-KRWDZBQOSA-N 0 0 396.661 4.009 10 0 GIAERN CCOC(=O)C1CN(C(C)C)C(=O)C1=Nc1ccc(Sc2ccccc2)cc1 ZINC000028004272 206302915 /nfs/dbraw/zinc/30/29/15/206302915.db2.gz MWVOGGOTSMCWDD-UHFFFAOYSA-N 0 0 396.512 4.318 10 0 GIAERN COc1ccccc1-c1nnc(S[C@H]2CCc3ccccc3NC2=O)s1 ZINC000000684909 206316274 /nfs/dbraw/zinc/31/62/74/206316274.db2.gz QXRFWLUJHPIYBY-INIZCTEOSA-N 0 0 383.498 4.259 10 0 GIAERN O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1Br ZINC000000850577 206327447 /nfs/dbraw/zinc/32/74/47/206327447.db2.gz WEGBKUKYDFBVMM-UHFFFAOYSA-N 0 0 381.023 4.012 10 0 GIAERN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC(C)(C)C)c3n2)cc1 ZINC000000848655 206328005 /nfs/dbraw/zinc/32/80/05/206328005.db2.gz PZMGOQFBRCMDLC-UHFFFAOYSA-N 0 0 376.382 4.252 10 0 GIAERN COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000034524836 206305148 /nfs/dbraw/zinc/30/51/48/206305148.db2.gz WMJUBLFKLAMLHS-YADHBBJMSA-N 0 0 375.424 4.239 10 0 GIAERN COc1cccc(NC(=O)CCc2cc(OC)c(OC)cc2Br)c1 ZINC000001283911 206371843 /nfs/dbraw/zinc/37/18/43/206371843.db2.gz YQQAMCDZNYSDOB-UHFFFAOYSA-N 0 0 394.265 4.046 10 0 GIAERN COc1cc(Br)c(CCC(=O)Nc2cccc(C)c2)cc1OC ZINC000001283893 206372209 /nfs/dbraw/zinc/37/22/09/206372209.db2.gz HFERSGDJGOUEQA-UHFFFAOYSA-N 0 0 378.266 4.346 10 0 GIAERN COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2 ZINC000035086281 206395288 /nfs/dbraw/zinc/39/52/88/206395288.db2.gz YTAKUZMOQQARQX-NEPJUHHUSA-N 0 0 388.460 4.170 10 0 GIAERN COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2OC)cc1Br ZINC000001986132 206396090 /nfs/dbraw/zinc/39/60/90/206396090.db2.gz BTQIBEPKGUXKFG-RMKNXTFCSA-N 0 0 376.250 4.427 10 0 GIAERN FC(F)(F)CO[C@H]1CC[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000006091973 206639155 /nfs/dbraw/zinc/63/91/55/206639155.db2.gz ULCWZQJLFZEXCS-ZIAGYGMSSA-N 0 0 396.196 4.196 10 0 GIAERN CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccsc2)[C@H]1c1cccs1 ZINC000006875505 206688428 /nfs/dbraw/zinc/68/84/28/206688428.db2.gz YYPPCBHVBLGAOZ-RTBURBONSA-N 0 0 396.537 4.079 10 0 GIAERN Cc1c2cc(Cl)cc(CNC(=O)C[C@H]3CCC(=O)N3)c2[nH]c1-c1ccccc1 ZINC000011879812 206839340 /nfs/dbraw/zinc/83/93/40/206839340.db2.gz SRBMCKSWZYMJFJ-QGZVFWFLSA-N 0 0 395.890 4.082 10 0 GIAERN Cc1csc([C@H](C)N(C)C(=O)c2cc(Cn3ccc4ccccc43)n[nH]2)n1 ZINC000012446463 206900264 /nfs/dbraw/zinc/90/02/64/206900264.db2.gz DWHWOAQXWDYAIM-AWEZNQCLSA-N 0 0 379.489 4.011 10 0 GIAERN Cc1ccc([C@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000014577183 207025016 /nfs/dbraw/zinc/02/50/16/207025016.db2.gz KHILYDKOKICPSL-JOCHJYFZSA-N 0 0 393.508 4.059 10 0 GIAERN CC(C)Oc1ccc(CN(C(=O)CC2CCCC2)[C@H]2CCCCNC2=O)cc1 ZINC000014967981 207034973 /nfs/dbraw/zinc/03/49/73/207034973.db2.gz CBJZGIBPAHBALH-NRFANRHFSA-N 0 0 386.536 4.051 10 0 GIAERN O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)c1ccsc1)CC2 ZINC000014968120 207035066 /nfs/dbraw/zinc/03/50/66/207035066.db2.gz XMYWIPAHOWJMPP-UHFFFAOYSA-N 0 0 394.471 4.267 10 0 GIAERN O=C(CN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cccs1 ZINC000014980748 207038015 /nfs/dbraw/zinc/03/80/15/207038015.db2.gz VUBPBKFBKGOTSX-NRFANRHFSA-N 0 0 378.497 4.000 10 0 GIAERN Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000015671836 207054927 /nfs/dbraw/zinc/05/49/27/207054927.db2.gz PPVJPVPNDJTCTP-UHFFFAOYSA-N 0 0 397.471 4.128 10 0 GIAERN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000018163457 207094199 /nfs/dbraw/zinc/09/41/99/207094199.db2.gz FMLXVRUEXBKGLP-OAHLLOKOSA-N 0 0 379.485 4.173 10 0 GIAERN CCc1ccccc1N1C[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)CC1=O ZINC000020371960 207190026 /nfs/dbraw/zinc/19/00/26/207190026.db2.gz SGBNWNINWJQSHH-KRWDZBQOSA-N 0 0 391.496 4.364 10 0 GIAERN Cc1cccc(N2C[C@@H](C(=O)Nc3nc(-c4ccccc4)cs3)CC2=O)c1 ZINC000020372741 207190308 /nfs/dbraw/zinc/19/03/08/207190308.db2.gz ROWZOFAYOQHIAI-INIZCTEOSA-N 0 0 377.469 4.110 10 0 GIAERN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3nc4c(cccc4C)s3)CC2=O)c1 ZINC000020373904 207190395 /nfs/dbraw/zinc/19/03/95/207190395.db2.gz XTUBOWQHTUTFKG-OAHLLOKOSA-N 0 0 379.485 4.213 10 0 GIAERN Cc1nc(-c2ncc(-c3cc(C(=O)NC(C)C)c4ccccc4n3)cn2)cs1 ZINC000020854816 207216600 /nfs/dbraw/zinc/21/66/00/207216600.db2.gz PDWQBHRHAWYGBD-UHFFFAOYSA-N 0 0 389.484 4.262 10 0 GIAERN c1cc(CN2Cc3ccccc3O[C@@H](c3ccccc3)C2)n(-c2ncccn2)c1 ZINC000020855963 207216644 /nfs/dbraw/zinc/21/66/44/207216644.db2.gz DHZCYVLLFIOIMJ-HSZRJFAPSA-N 0 0 382.467 4.403 10 0 GIAERN Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)c2c1 ZINC000021240771 207228038 /nfs/dbraw/zinc/22/80/38/207228038.db2.gz NIAJORIOCWVSJS-HZPDHXFCSA-N 0 0 394.446 4.413 10 0 GIAERN CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000021708511 207234904 /nfs/dbraw/zinc/23/49/04/207234904.db2.gz JTVFZSGBBBLFGG-UHFFFAOYSA-N 0 0 389.411 4.078 10 0 GIAERN CCCC[C@@H](CC)CNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2C)cc1 ZINC000022353289 207251913 /nfs/dbraw/zinc/25/19/13/207251913.db2.gz KEMDYUAUKSCVLV-QGZVFWFLSA-N 0 0 385.508 4.304 10 0 GIAERN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000022483693 207254973 /nfs/dbraw/zinc/25/49/73/207254973.db2.gz JDYGLJXEMJYMFG-MRXNPFEDSA-N 0 0 394.425 4.277 10 0 GIAERN O=C(NCCCn1ccnc1)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000022655002 207258244 /nfs/dbraw/zinc/25/82/44/207258244.db2.gz PBBGHQQKJMMJRR-UHFFFAOYSA-N 0 0 378.476 4.406 10 0 GIAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000026746064 207319560 /nfs/dbraw/zinc/31/95/60/207319560.db2.gz HLMGDUAPAMQOHV-ORAYPTAESA-N 0 0 381.501 4.388 10 0 GIAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000026746070 207319830 /nfs/dbraw/zinc/31/98/30/207319830.db2.gz HLMGDUAPAMQOHV-YJYMSZOUSA-N 0 0 381.501 4.388 10 0 GIAERN CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2csc(C(C)=O)c2)C1 ZINC000012581601 207323320 /nfs/dbraw/zinc/32/33/20/207323320.db2.gz GCJJPSPJWBULCK-AWEZNQCLSA-N 0 0 387.526 4.408 10 0 GIAERN CCn1c(=O)c(Nc2ccccc2Cl)nnc1SCc1cccs1 ZINC000028538433 207344138 /nfs/dbraw/zinc/34/41/38/207344138.db2.gz DFBJZKYXKGRNCL-UHFFFAOYSA-N 0 0 378.910 4.409 10 0 GIAERN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3Cl)no2)cc1 ZINC000032611994 207398346 /nfs/dbraw/zinc/39/83/46/207398346.db2.gz BHYNCSGCXWBOIP-UHFFFAOYSA-N 0 0 375.837 4.129 10 0 GIAERN COc1ccc(-c2nnn(CSC)c2C(=O)Nc2cccc(C)c2C)cc1 ZINC000032611875 207399354 /nfs/dbraw/zinc/39/93/54/207399354.db2.gz QZFALTFAMVEVJC-UHFFFAOYSA-N 0 0 382.489 4.143 10 0 GIAERN Cc1cccc(N2C(=O)C(=Cc3ccc(Br)s3)NC2=S)c1 ZINC000035669123 207498888 /nfs/dbraw/zinc/49/88/88/207498888.db2.gz DROHWCJJBXGCLI-WQLSENKSSA-N 0 0 379.304 4.081 10 0 GIAERN CN(C)c1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1 ZINC000040867041 207614250 /nfs/dbraw/zinc/61/42/50/207614250.db2.gz FWDFANUPSHXNBN-UHFFFAOYSA-N 0 0 394.862 4.306 10 0 GIAERN Cc1sc2ccccc2c1-c1ccn(CC(=O)Nc2ccnn2C(C)C)n1 ZINC000048233969 207688148 /nfs/dbraw/zinc/68/81/48/207688148.db2.gz WDIXXEKZNXTGOO-UHFFFAOYSA-N 0 0 379.489 4.489 10 0 GIAERN COc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000064840067 207814327 /nfs/dbraw/zinc/81/43/27/207814327.db2.gz SPOPMGZIVKOSET-UHFFFAOYSA-N 0 0 386.839 4.105 10 0 GIAERN COc1ccccc1/C(Cl)=C(/NC(=O)c1ccccc1)C(=O)N1CCCCC1 ZINC000072176151 207987170 /nfs/dbraw/zinc/98/71/70/207987170.db2.gz VBWQGNRGGOTETC-VXPUYCOJSA-N 0 0 398.890 4.045 10 0 GIAERN CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000084403410 208091464 /nfs/dbraw/zinc/09/14/64/208091464.db2.gz LIZWBGZACPSUNY-FPGXDWIWSA-N 0 0 388.548 4.305 10 0 GIAERN O=CNc1cc(F)c(F)cc1C(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000090676686 208113028 /nfs/dbraw/zinc/11/30/28/208113028.db2.gz FWWRMTAVJBSEQJ-UHFFFAOYSA-N 0 0 396.393 4.407 10 0 GIAERN O=C(OCc1ccccc1)N1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1 ZINC000091351779 208116689 /nfs/dbraw/zinc/11/66/89/208116689.db2.gz AKJDXKKDQUONAK-QGZVFWFLSA-N 0 0 381.407 4.392 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](C[S@](=O)c2nc3ccccc3s2)C1 ZINC000095085641 208152206 /nfs/dbraw/zinc/15/22/06/208152206.db2.gz OVCHHHJTZCLYFD-YMXBGEKHSA-N 0 0 380.535 4.051 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOCc2cnc(Cl)nc2Cl)C1 ZINC000095085206 208152302 /nfs/dbraw/zinc/15/23/02/208152302.db2.gz CWGWUIVZSKGZQN-GFCCVEGCSA-N 0 0 390.311 4.337 10 0 GIAERN CN(c1nc2ccccc2nc1NC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095074657 208153428 /nfs/dbraw/zinc/15/34/28/208153428.db2.gz NLZUYJODHRDVCQ-UHFFFAOYSA-N 0 0 397.523 4.040 10 0 GIAERN CCOc1nc2ccccc2nc1NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095091820 208154470 /nfs/dbraw/zinc/15/44/70/208154470.db2.gz WSQHHVGJEACSOP-UHFFFAOYSA-N 0 0 386.496 4.088 10 0 GIAERN CCOc1nc2ccccc2nc1NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091814 208154983 /nfs/dbraw/zinc/15/49/83/208154983.db2.gz OLTWOUKTGVQVKL-HNNXBMFYSA-N 0 0 386.496 4.088 10 0 GIAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000095087648 208156418 /nfs/dbraw/zinc/15/64/18/208156418.db2.gz FREAFWYFUHQLBM-NSHDSACASA-N 0 0 379.810 4.247 10 0 GIAERN Fc1cccc(Nc2ccc3c([C@H]4CCCN4Cc4ccncc4)nnn3c2)c1 ZINC000096156586 208279579 /nfs/dbraw/zinc/27/95/79/208279579.db2.gz BOXLTMFSZBVZCX-HXUWFJFHSA-N 0 0 388.450 4.344 10 0 GIAERN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccco2)no1)c1cccc(F)c1 ZINC000096293790 208304203 /nfs/dbraw/zinc/30/42/03/208304203.db2.gz VTVXHDAAUUGPOT-QGZVFWFLSA-N 0 0 377.375 4.183 10 0 GIAERN O=C(Nc1ccccc1Cl)[C@@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000096309935 208304272 /nfs/dbraw/zinc/30/42/72/208304272.db2.gz QSNSLFVYVSTFQY-KRWDZBQOSA-N 0 0 397.906 4.396 10 0 GIAERN CCN(CC)C(=S)S[C@@H]1C(=O)Nc2ccccc2N=C1c1ccccc1 ZINC000100898509 208383993 /nfs/dbraw/zinc/38/39/93/208383993.db2.gz KOMQWBBGBOMCQK-SFHVURJKSA-N 0 0 383.542 4.488 10 0 GIAERN COc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1OC ZINC000027925051 208925584 /nfs/dbraw/zinc/92/55/84/208925584.db2.gz AHEQATIYSXGRBS-UHFFFAOYSA-N 0 0 385.851 4.412 10 0 GIAERN Cc1cc(OCn2ccc(C(=O)N3c4ccccc4C[C@H]3C)n2)ccc1Cl ZINC000027972765 208929098 /nfs/dbraw/zinc/92/90/98/208929098.db2.gz BVZAFBLMLIJDEP-OAHLLOKOSA-N 0 0 381.863 4.473 10 0 GIAERN COc1ccc(-c2nc(SCc3cc(=O)c4c(C)cc(C)cc4[nH]3)n[nH]2)cc1 ZINC000041108688 209095432 /nfs/dbraw/zinc/09/54/32/209095432.db2.gz JYHHSMARWHRMKK-UHFFFAOYSA-N 0 0 392.484 4.231 10 0 GIAERN COc1ccc(C(=O)Oc2cccc(/C=C3/N=C(c4ccccc4)OC3=O)c2)cc1 ZINC000041078050 209095364 /nfs/dbraw/zinc/09/53/64/209095364.db2.gz XQYRXWFNJJWGIM-RCCKNPSSSA-N 0 0 399.402 4.259 10 0 GIAERN O=C(NCc1ccncc1)c1cc(Br)ccc1NCc1ccccc1 ZINC000255190591 209046657 /nfs/dbraw/zinc/04/66/57/209046657.db2.gz YETAEYSOTSZSQE-UHFFFAOYSA-N 0 0 396.288 4.386 10 0 GIAERN Cc1cccc(NC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)c1 ZINC000064872404 136158037 /nfs/dbraw/zinc/15/80/37/136158037.db2.gz HTOPVSUXLTVLEW-UHFFFAOYSA-N 0 0 390.462 4.446 10 0 GIAERN CCc1nc2csc(C)c2c(N2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000065301395 136162919 /nfs/dbraw/zinc/16/29/19/136162919.db2.gz CNYTVLGTNNQVNN-UHFFFAOYSA-N 0 0 386.565 4.181 10 0 GIAERN Cc1scc2nc(C)nc(N3CCC(C(=O)NCc4ccccc4C)CC3)c12 ZINC000065301546 136162972 /nfs/dbraw/zinc/16/29/72/136162972.db2.gz WZTVLPVFMVSQJW-UHFFFAOYSA-N 0 0 394.544 4.149 10 0 GIAERN Cc1ccc2c(c1)OC[C@@H](CC(=O)NCc1ccco1)N2Cc1ccc(F)cc1 ZINC000096323002 136186641 /nfs/dbraw/zinc/18/66/41/136186641.db2.gz WDRGRZRZHRVKIZ-LJQANCHMSA-N 0 0 394.446 4.201 10 0 GIAERN O=C(NCCc1ccccc1)[C@H]1CCCN(c2nc3ccccc3n3cccc23)C1 ZINC000020902677 136202984 /nfs/dbraw/zinc/20/29/84/136202984.db2.gz GZIFBEWENQJBQR-FQEVSTJZSA-N 0 0 398.510 4.063 10 0 GIAERN CS(=O)(=O)c1ccc(C(=CC2CCCC2)c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000095830736 222360772 /nfs/dbraw/zinc/36/07/72/222360772.db2.gz MVFNUGVECMMTAM-XNTDXEJSSA-N 0 0 384.423 4.454 10 0 GIAERN COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(Br)c(C)c3)n2)c1 ZINC000057341434 525697641 /nfs/dbraw/zinc/69/76/41/525697641.db2.gz HJRAJEWPPWKZCH-UHFFFAOYSA-N 0 0 386.249 4.260 10 0 GIAERN CCCCC[C@H](C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000015256952 528270840 /nfs/dbraw/zinc/27/08/40/528270840.db2.gz PXBFKEHWQRAQQD-MOPGFXCFSA-N 0 0 380.481 4.167 10 0 endogenous,in-man GIAERN COCCOCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1 ZINC000001554284 570312254 /nfs/dbraw/zinc/31/22/54/570312254.db2.gz YCAACZFPADQMAR-UHFFFAOYSA-N 0 0 390.439 4.024 10 0 GIAERN CCN(CC(=O)NCc1cccs1)C(=O)c1oc2c(cccc2Cl)c1C ZINC000006552811 570475276 /nfs/dbraw/zinc/47/52/76/570475276.db2.gz LNSGWMDYMCXPMC-UHFFFAOYSA-N 0 0 390.892 4.235 10 0 GIAERN O=C(Cc1cccs1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033048647 570518815 /nfs/dbraw/zinc/51/88/15/570518815.db2.gz JWXOESNACPYXKS-IBGZPJMESA-N 0 0 393.443 4.386 10 0 GIAERN O=C(Cc1cccs1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033048646 570518903 /nfs/dbraw/zinc/51/89/03/570518903.db2.gz JWXOESNACPYXKS-LJQANCHMSA-N 0 0 393.443 4.386 10 0 GIAERN CCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1c1ccccc1C ZINC000036052328 570523268 /nfs/dbraw/zinc/52/32/68/570523268.db2.gz WAFDXVKBRMEFDV-RBUKOAKNSA-N 0 0 384.907 4.030 10 0 GIAERN COc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)c1 ZINC000006725212 570553242 /nfs/dbraw/zinc/55/32/42/570553242.db2.gz YUGXFUOPNIRBGK-UXHICEINSA-N 0 0 392.480 4.306 10 0 GIAERN CCCCNC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccc(F)cc1 ZINC000006733935 570558625 /nfs/dbraw/zinc/55/86/25/570558625.db2.gz HJSPYLLVKRHSSQ-GHTZIAJQSA-N 0 0 392.540 4.206 10 0 GIAERN COc1cccc(-c2cn3c4ccc(C(=O)N5CCCC5)cc4sc3n2)c1 ZINC000006748722 570566973 /nfs/dbraw/zinc/56/69/73/570566973.db2.gz UGMRDLFRTNEEDC-UHFFFAOYSA-N 0 0 377.469 4.461 10 0 GIAERN CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCC3CC3)c2)n1 ZINC000006766298 570576849 /nfs/dbraw/zinc/57/68/49/570576849.db2.gz YMYGUQSOLAAVKF-UHFFFAOYSA-N 0 0 396.560 4.071 10 0 GIAERN COc1ccccc1Oc1cc(-c2ccc(C(=O)N3CCCC3)cc2)ncn1 ZINC000064568543 570604095 /nfs/dbraw/zinc/60/40/95/570604095.db2.gz IROFOKYEADXSRV-UHFFFAOYSA-N 0 0 375.428 4.181 10 0 GIAERN COc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(O)c2)cc1OC ZINC000036348708 570630907 /nfs/dbraw/zinc/63/09/07/570630907.db2.gz HULMPDWXCDUAGN-HSZRJFAPSA-N 0 0 378.472 4.206 10 0 GIAERN NC(=O)c1cc(Br)c(-c2ccc(Cl)cc2Br)o1 ZINC000073638379 570663877 /nfs/dbraw/zinc/66/38/77/570663877.db2.gz RNQBPZUWKKGXOG-UHFFFAOYSA-N 0 0 379.435 4.224 10 0 GIAERN C[C@@H]1CSC(N(C(=O)c2cnn(-c3ccccc3)n2)c2ccc(Cl)cc2)=N1 ZINC000006881264 570675840 /nfs/dbraw/zinc/67/58/40/570675840.db2.gz WLSAUBIDPLAZAX-CYBMUJFWSA-N 0 0 397.891 4.059 10 0 GIAERN COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)cc1C ZINC000012439374 570676073 /nfs/dbraw/zinc/67/60/73/570676073.db2.gz ZSJWJEIRHFHBGX-IBGZPJMESA-N 0 0 394.515 4.113 10 0 GIAERN CC[C@H](C)NC(=O)[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000169793597 570701913 /nfs/dbraw/zinc/70/19/13/570701913.db2.gz ACGMUZYAXNVXED-MDKPJZGXSA-N 0 0 382.479 4.334 10 0 GIAERN COC(=O)c1coc(CN(C(=O)c2ccc(-c3ccccc3)cc2)C(C)C)n1 ZINC000000962650 570739642 /nfs/dbraw/zinc/73/96/42/570739642.db2.gz QRFNWKHILXPWAA-UHFFFAOYSA-N 0 0 378.428 4.179 10 0 GIAERN CCC(=O)Nc1cc2c(cc1C)[C@@H](c1cc3c(cc1Cl)OCO3)CC(=O)N2 ZINC000065387963 570811561 /nfs/dbraw/zinc/81/15/61/570811561.db2.gz IODRWVZVOZIZOG-LLVKDONJSA-N 0 0 386.835 4.200 10 0 GIAERN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)NC1CCCCC1 ZINC000102300840 570844420 /nfs/dbraw/zinc/84/44/20/570844420.db2.gz JUJGVLNFRKBDLA-UHFFFAOYSA-N 0 0 381.501 4.055 10 0 GIAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)C1 ZINC000028049081 206254953 /nfs/dbraw/zinc/25/49/53/206254953.db2.gz ZDWJXYUPOMPMOD-GOSISDBHSA-N 0 0 392.455 4.219 10 0 GIAERN CN1CC(Sc2ccc(F)cc2)=NN=C1c1ccc(Br)cc1 ZINC000334162020 206255833 /nfs/dbraw/zinc/25/58/33/206255833.db2.gz ILNRWGYEOMKBBT-UHFFFAOYSA-N 0 0 378.270 4.386 10 0 GIAERN COc1cc(C=O)cc(CSC)c1OC(=O)c1cccc(Br)c1 ZINC000226288783 206258565 /nfs/dbraw/zinc/25/85/65/206258565.db2.gz HQLKKRVDLWQTOO-UHFFFAOYSA-N 0 0 395.274 4.352 10 0 GIAERN COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc(O)c(CC=C(C)C)c3O[C@@H]1CO2 ZINC000003978468 206261313 /nfs/dbraw/zinc/26/13/13/206261313.db2.gz GBVCHRDRVDOMQV-RTWAWAEBSA-N 0 0 396.439 4.038 10 0 in-vitro GIAERN N[C@H](Cc1ccccc1)c1nnc(SCc2ccc(Br)cc2)o1 ZINC000040173859 206264172 /nfs/dbraw/zinc/26/41/72/206264172.db2.gz ZQCKEPRCAGWLSC-OAHLLOKOSA-N 0 0 390.306 4.367 10 0 GIAERN CCN(CN1C(=O)c2ccccc2C1=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000031520040 206303794 /nfs/dbraw/zinc/30/37/94/206303794.db2.gz CZFYJCOPDCFZFB-AWEZNQCLSA-N 0 0 390.405 4.212 10 0 GIAERN CC(C)(C)O[C@@H](Cc1ccccc1)N1CCN(CCC(=O)c2ccccc2)CC1 ZINC000022595643 206299225 /nfs/dbraw/zinc/29/92/25/206299225.db2.gz UZPFIBFKQBQVGP-DEOSSOPVSA-N 0 0 394.559 4.261 10 0 GIAERN Nc1ccc(/C=C/c2cc(=O)c3cc(I)ccc3o2)cc1 ZINC000028641075 206303060 /nfs/dbraw/zinc/30/30/60/206303060.db2.gz BPBMAJAZUBZQED-XVNBXDOJSA-N 0 0 389.192 4.150 10 0 GIAERN O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)NC1CC1 ZINC000001061466 206347076 /nfs/dbraw/zinc/34/70/76/206347076.db2.gz NTBNRRLPEYUFEL-UHFFFAOYSA-N 0 0 389.546 4.186 10 0 GIAERN C/C=C/C(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1OC ZINC000001070580 206347943 /nfs/dbraw/zinc/34/79/43/206347943.db2.gz HJEXDMPBOLKJMR-KTLHAOHYSA-N 0 0 397.814 4.175 10 0 GIAERN COc1cccc(-c2csc(N3CCN(C(=O)c4ccccc4C)CC3)n2)c1 ZINC000001349983 206374898 /nfs/dbraw/zinc/37/48/98/206374898.db2.gz SRNCALMYJSZROR-UHFFFAOYSA-N 0 0 393.512 4.090 10 0 GIAERN O=C(c1c(F)cccc1F)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000001364191 206375948 /nfs/dbraw/zinc/37/59/48/206375948.db2.gz SZBPEONDNXEHQB-LLVKDONJSA-N 0 0 375.400 4.096 10 0 GIAERN CCCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000001927438 206394454 /nfs/dbraw/zinc/39/44/54/206394454.db2.gz MSHRLTFFXAIXOP-CFRMROPGSA-N 0 0 398.528 4.413 10 0 GIAERN Cc1ccccc1CSc1nc2c3ccccc3sc2c(=O)n1CCO ZINC000002962039 206450141 /nfs/dbraw/zinc/45/01/41/206450141.db2.gz JQPOQYBTUAEPBP-UHFFFAOYSA-N 0 0 382.510 4.204 10 0 GIAERN COc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)c1 ZINC000006725214 206666622 /nfs/dbraw/zinc/66/66/22/206666622.db2.gz YUGXFUOPNIRBGK-PMACEKPBSA-N 0 0 392.480 4.306 10 0 GIAERN O=C(NCc1ccc(F)cc1)c1cc(Br)c(Br)s1 ZINC000006889116 206690296 /nfs/dbraw/zinc/69/02/96/206690296.db2.gz AXSLHASHJXFGLO-UHFFFAOYSA-N 0 0 393.075 4.342 10 0 GIAERN O=C(Cc1cccs1)N1CCC(n2c3ncccc3nc2C2CCC2)CC1 ZINC000012218769 206871825 /nfs/dbraw/zinc/87/18/25/206871825.db2.gz PGCLLIOVKHBTDB-UHFFFAOYSA-N 0 0 380.517 4.167 10 0 GIAERN O=C(N[C@@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000015861261 207065550 /nfs/dbraw/zinc/06/55/50/207065550.db2.gz KVIUDPYXHGGDRE-FQEVSTJZSA-N 0 0 395.405 4.277 10 0 GIAERN COc1cccc(CNc2ncc(C(=O)Nc3ccc(C)c(C)c3)c(C)n2)c1 ZINC000015778209 207060286 /nfs/dbraw/zinc/06/02/86/207060286.db2.gz GYTHCMBYTSTPHR-UHFFFAOYSA-N 0 0 376.460 4.275 10 0 GIAERN Cc1cnc(SCCN2CCN(C)CC2)nc1-c1cc2ccccc2s1 ZINC000019365191 207118769 /nfs/dbraw/zinc/11/87/69/207118769.db2.gz KNELXRNFFDSJLO-UHFFFAOYSA-N 0 0 384.574 4.006 10 0 GIAERN Cc1c(C(=O)Nc2ccccc2)sc2[nH]c(Cc3ccccc3F)nc(=O)c12 ZINC000020370125 207190129 /nfs/dbraw/zinc/19/01/29/207190129.db2.gz VYOKZLZJSFVNEO-UHFFFAOYSA-N 0 0 393.443 4.275 10 0 GIAERN Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900679 207219416 /nfs/dbraw/zinc/21/94/16/207219416.db2.gz GKPCRPGODULUOY-UHFFFAOYSA-N 0 0 397.471 4.272 10 0 GIAERN CCN1CCN([C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)CC1 ZINC000021538505 207231154 /nfs/dbraw/zinc/23/11/54/207231154.db2.gz JTNHDCWQBNCGFV-LJQANCHMSA-N 0 0 382.895 4.117 10 0 GIAERN Cc1cc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)no1 ZINC000021914981 207241894 /nfs/dbraw/zinc/24/18/94/207241894.db2.gz IINCKTFGMVDZII-UHFFFAOYSA-N 0 0 390.443 4.072 10 0 GIAERN CCOc1ccccc1CN1CCc2nc(Nc3ccccc3F)ncc2C1 ZINC000021639693 207232577 /nfs/dbraw/zinc/23/25/77/207232577.db2.gz NWKDUIMAJZMPNR-UHFFFAOYSA-N 0 0 378.451 4.316 10 0 GIAERN CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021863411 207239229 /nfs/dbraw/zinc/23/92/29/207239229.db2.gz ITRSYQPPDBCJPX-OCJFHSIUSA-N 0 0 397.519 4.068 10 0 GIAERN C[C@H](NC(=O)/C=C/c1ccccc1F)c1ccc2c(c1)N(CC1CC1)CCO2 ZINC000022055316 207246647 /nfs/dbraw/zinc/24/66/47/207246647.db2.gz IDFFOPPWSLCCAA-SOGBHIHOSA-N 0 0 380.463 4.325 10 0 in-vitro GIAERN COc1c(Br)cc(Cl)cc1NC(=O)c1cccnc1Cl ZINC000037979898 207243319 /nfs/dbraw/zinc/24/33/19/207243319.db2.gz JFHZJWQOWQVDGI-UHFFFAOYSA-N 0 0 376.037 4.412 10 0 GIAERN O=S(=O)(c1ccccc1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022624504 207258517 /nfs/dbraw/zinc/25/85/17/207258517.db2.gz UDYCAWUETJQJPV-UHFFFAOYSA-N 0 0 383.435 4.349 10 0 GIAERN COc1ccc(CSCC(=O)Nc2oncc2-c2ccc(OC)cc2)cc1 ZINC000022667962 207259264 /nfs/dbraw/zinc/25/92/64/207259264.db2.gz WCRAAPUVIBOBMF-UHFFFAOYSA-N 0 0 384.457 4.231 10 0 GIAERN CC[C@H](NC(=O)c1cc(COc2ccc(F)cc2Cl)on1)c1ccncc1 ZINC000012448753 207314560 /nfs/dbraw/zinc/31/45/60/207314560.db2.gz MMCBJAAYCOBBSB-INIZCTEOSA-N 0 0 389.814 4.322 10 0 GIAERN O=C(c1ccc(Cl)cc1)N1CCN2Cc3ccccc3-n3cccc3[C@@H]2C1 ZINC000027521864 207326227 /nfs/dbraw/zinc/32/62/27/207326227.db2.gz LLBNRPPLFILYDY-NRFANRHFSA-N 0 0 377.875 4.143 10 0 GIAERN CCn1c(=O)c(Nc2cccc(Cl)c2)nnc1SCc1cccs1 ZINC000028538171 207343926 /nfs/dbraw/zinc/34/39/26/207343926.db2.gz ZDYSNQVZTWCOLX-UHFFFAOYSA-N 0 0 378.910 4.409 10 0 GIAERN Cc1cccc(CSc2nnc(Nc3ccccc3)c(=O)n2-n2cccc2)c1 ZINC000028536496 207344012 /nfs/dbraw/zinc/34/40/12/207344012.db2.gz QVFHGNRWQHVPIY-UHFFFAOYSA-N 0 0 389.484 4.096 10 0 GIAERN Cc1ccc(CSc2nnc(Nc3cccc(C)c3C)c(=O)n2C)c(C)c1 ZINC000028527312 207344026 /nfs/dbraw/zinc/34/40/26/207344026.db2.gz ITWPLSLGBNQNNR-UHFFFAOYSA-N 0 0 380.517 4.445 10 0 GIAERN O=C(NC1CCCC1)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000033027757 207431635 /nfs/dbraw/zinc/43/16/35/207431635.db2.gz JBSXUFRAPHZJAU-UHFFFAOYSA-N 0 0 395.478 4.330 10 0 GIAERN CCOC(=O)c1sc2nc(C)nc(NCCc3ccccc3OC)c2c1C ZINC000072260920 207990919 /nfs/dbraw/zinc/99/09/19/207990919.db2.gz OMEPMQUXZDUASF-UHFFFAOYSA-N 0 0 385.489 4.148 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(CCCOc2nc3ccccc3nc2N)CC1 ZINC000095083720 208153441 /nfs/dbraw/zinc/15/34/41/208153441.db2.gz DEAHIROHWDRALY-UHFFFAOYSA-N 0 0 386.496 4.018 10 0 GIAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000095074973 208153523 /nfs/dbraw/zinc/15/35/23/208153523.db2.gz AUYBLHLXVJIVRK-CQSZACIVSA-N 0 0 384.318 4.070 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2ccccc2nc1NC1CC1 ZINC000095086617 208153986 /nfs/dbraw/zinc/15/39/86/208153986.db2.gz HUPBZMXEOFLCSS-INIZCTEOSA-N 0 0 398.507 4.373 10 0 GIAERN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091186 208154281 /nfs/dbraw/zinc/15/42/81/208154281.db2.gz ULUZHKWTRKMWLO-MRXNPFEDSA-N 0 0 380.916 4.336 10 0 GIAERN CCOc1nc2ccccc2nc1OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091828 208155399 /nfs/dbraw/zinc/15/53/99/208155399.db2.gz JBBZUFWUJGALQH-OAHLLOKOSA-N 0 0 387.480 4.054 10 0 GIAERN Cc1c(F)cccc1N1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000096281409 208301668 /nfs/dbraw/zinc/30/16/68/208301668.db2.gz SQOOAEPWJAXTSN-AWEZNQCLSA-N 0 0 380.341 4.145 10 0 GIAERN CCCCc1ccc(NC(=O)N2C[C@H](c3nc(C)no3)C3(C2)CCOCC3)cc1 ZINC000096310282 208304088 /nfs/dbraw/zinc/30/40/88/208304088.db2.gz MABPRJIRDAITCQ-LJQANCHMSA-N 0 0 398.507 4.149 10 0 GIAERN CCn1cc(CN(C)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)c(C)n1 ZINC000097675364 208361104 /nfs/dbraw/zinc/36/11/04/208361104.db2.gz WPXMMIMPJAOLLA-UHFFFAOYSA-N 0 0 380.496 4.184 10 0 GIAERN CCCC[C@@H](CC)C(=O)O[C@@H](C)C(=O)NC[C@H](C)OC(=O)[C@@H](CC)CCCC ZINC000100355800 208377343 /nfs/dbraw/zinc/37/73/43/208377343.db2.gz BUFBUWAALXANIF-CADBVGFASA-N 0 0 399.572 4.399 10 0 GIAERN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3sc(=NN)[nH]c3c(C)c2)c1 ZINC000226313264 208473215 /nfs/dbraw/zinc/47/32/15/208473215.db2.gz KGTXWAGKEGKZHU-UHFFFAOYSA-N 0 0 384.505 4.340 10 0 GIAERN CCN(C(=O)C(F)(F)F)c1cc(OC)ccc1-c1cc2ccccc2oc1=O ZINC000226358186 208474518 /nfs/dbraw/zinc/47/45/18/208474518.db2.gz ZWGRRQBVTCYWOR-UHFFFAOYSA-N 0 0 391.345 4.384 10 0 GIAERN COc1ccc(-n2nc(C(=O)N3CCC[C@@H](C)[C@H]3C)nc2-c2ccccc2)cc1 ZINC000020529368 208814869 /nfs/dbraw/zinc/81/48/69/208814869.db2.gz BZPZHZVOFOWTHS-IAGOWNOFSA-N 0 0 390.487 4.204 10 0 GIAERN CCOc1cc(C(=O)Nc2ccc(Cl)c(N)c2)cc(OCC)c1OCC ZINC000020344652 208810366 /nfs/dbraw/zinc/81/03/66/208810366.db2.gz QPIRICKRDCFNHP-UHFFFAOYSA-N 0 0 378.856 4.371 10 0 GIAERN COc1ccc(-n2nc(C(=O)N3CCC[C@@H](C)[C@@H]3C)nc2-c2ccccc2)cc1 ZINC000020529364 208814554 /nfs/dbraw/zinc/81/45/54/208814554.db2.gz BZPZHZVOFOWTHS-SJORKVTESA-N 0 0 390.487 4.204 10 0 GIAERN O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000027921164 208925537 /nfs/dbraw/zinc/92/55/37/208925537.db2.gz VGFZEQNYLLLASX-MOPGFXCFSA-N 0 0 396.288 4.436 10 0 GIAERN COc1cccc(Cn2cc(NC(=O)c3c(Cl)cccc3Cl)cn2)c1 ZINC000028220729 208938635 /nfs/dbraw/zinc/93/86/35/208938635.db2.gz VWLBSOBSQRIBQG-UHFFFAOYSA-N 0 0 376.243 4.499 10 0 GIAERN COc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cccc(OC)c3)cs2)c1 ZINC000028232487 208941401 /nfs/dbraw/zinc/94/14/01/208941401.db2.gz HJOOIJIYWFVZQM-ZDUSSCGKSA-N 0 0 384.457 4.233 10 0 GIAERN CC(C)N1c2ccc(NC(=O)[C@H]3CCCO3)cc2Sc2ccccc2C1=O ZINC000064666757 209003150 /nfs/dbraw/zinc/00/31/50/209003150.db2.gz IJEDWGXYMWPCSX-QGZVFWFLSA-N 0 0 382.485 4.324 10 0 GIAERN C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000098092162 209017923 /nfs/dbraw/zinc/01/79/23/209017923.db2.gz LKKBIFVMIYWAGA-PXNSSMCTSA-N 0 0 399.487 4.228 10 0 GIAERN COC(=O)[C@](C)(c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000071973523 222201592 /nfs/dbraw/zinc/20/15/92/222201592.db2.gz JEQBEZLHAWBLCD-ISKFKSNPSA-N 0 0 376.452 4.430 10 0 GIAERN Brc1cnc(OCc2ccccc2)c(I)c1 ZINC000095830472 222360453 /nfs/dbraw/zinc/36/04/53/222360453.db2.gz KFSCKQXUKGCVJH-UHFFFAOYSA-N 0 0 390.018 4.028 10 0 GIAERN COC(=O)[C@@H]1CC(=O)CN1c1cccc2c1[C@@H](c1ccccc1)c1ccccc1-2 ZINC000083317381 523668356 /nfs/dbraw/zinc/66/83/56/523668356.db2.gz YFQWZHMUQBJMKW-GOTSBHOMSA-N 0 0 383.447 4.168 10 0 GIAERN COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(Br)cc3F)n2)c1 ZINC000057341435 525699295 /nfs/dbraw/zinc/69/92/95/525699295.db2.gz IJLYFHGYTWFJAA-UHFFFAOYSA-N 0 0 390.212 4.091 10 0 GIAERN CCCCC[C@@H](C[C@@H](CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O ZINC000015256967 528257439 /nfs/dbraw/zinc/25/74/39/528257439.db2.gz QCJKXQWAFFZFLJ-VQTJNVASSA-N 0 0 394.508 4.470 10 0 endogenous,in-man GIAERN CC(C)=C/C=C/C(C)=C/C[C@H](OC(C)=O)C(/C=C/OC(C)=O)=C\OC(C)=O ZINC000004098294 560195445 /nfs/dbraw/zinc/19/54/45/560195445.db2.gz BQBCCTYBKVNOPS-VUXWMJSVSA-N 0 0 376.449 4.301 10 0 in-vitro GIAERN O=C(/C=C/c1ccc(F)cc1)N1CCC2(C[C@H]2C(=O)Nc2ccccc2)CC1 ZINC000012245641 570277354 /nfs/dbraw/zinc/27/73/54/570277354.db2.gz MBGODJKLSYUGFB-ZBWUASRJSA-N 0 0 378.447 4.106 10 0 GIAERN COc1ccc(NC(=O)C[C@@H]2C[C@H](C(=O)Nc3ccc(OC)cc3)C2(C)C)cc1 ZINC000003172187 570331506 /nfs/dbraw/zinc/33/15/06/570331506.db2.gz CVSJDFICMNTSJM-MGPUTAFESA-N 0 0 396.487 4.333 10 0 GIAERN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3N2)cc1 ZINC000004953111 570419636 /nfs/dbraw/zinc/41/96/36/570419636.db2.gz OSYQFMKIPFUJKI-GDBMZVCRSA-N 0 0 378.398 4.088 10 0 GIAERN CCNC(=O)c1coc(CN(Cc2ccccc2C)[C@H](C)c2ccccc2)n1 ZINC000036073527 570528552 /nfs/dbraw/zinc/52/85/52/570528552.db2.gz AZCUATWGGNMAAZ-GOSISDBHSA-N 0 0 377.488 4.496 10 0 GIAERN O=C(c1cccc(F)c1)N(Cc1nccn1Cc1ccc(F)c(F)c1)CC1CC1 ZINC000006723888 570552535 /nfs/dbraw/zinc/55/25/35/570552535.db2.gz ROPCUTIAQAJXNL-UHFFFAOYSA-N 0 0 399.416 4.401 10 0 GIAERN CCCCN(CCCC)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2CC ZINC000005555461 570633439 /nfs/dbraw/zinc/63/34/39/570633439.db2.gz KYWLBWPTMDFCKO-UHFFFAOYSA-N 0 0 388.533 4.411 10 0 GIAERN Cc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 ZINC000006875261 570664149 /nfs/dbraw/zinc/66/41/49/570664149.db2.gz TXORPTFMQXLXST-NHCUHLMSSA-N 0 0 390.508 4.283 10 0 GIAERN Cc1ccsc1CN(Cc1cccn1-c1ncccn1)Cc1ccccn1 ZINC000055182934 570686282 /nfs/dbraw/zinc/68/62/82/570686282.db2.gz QDVISZDVRQOJEV-UHFFFAOYSA-N 0 0 375.501 4.235 10 0 GIAERN Fc1ccc(C2=Nn3c(nnc3-c3ccc(Br)cc3)SC2)cc1 ZINC000006918059 570703529 /nfs/dbraw/zinc/70/35/29/570703529.db2.gz GLLBTPXRCSTVEK-UHFFFAOYSA-N 0 0 389.253 4.205 10 0 GIAERN C[C@H](NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1)c1cccnc1 ZINC000065153771 570716789 /nfs/dbraw/zinc/71/67/89/570716789.db2.gz XSZHUEDJGIALLC-INIZCTEOSA-N 0 0 381.439 4.092 10 0 GIAERN Cn1c([C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2cccnc21 ZINC000065285028 570781056 /nfs/dbraw/zinc/78/10/56/570781056.db2.gz MUYSXWIOQWMIKJ-GFCCVEGCSA-N 0 0 389.381 4.009 10 0 GIAERN Cn1c([C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2cccnc21 ZINC000065285029 570781122 /nfs/dbraw/zinc/78/11/22/570781122.db2.gz MUYSXWIOQWMIKJ-LBPRGKRZSA-N 0 0 389.381 4.009 10 0 GIAERN COc1cccc(CN(C)CC(=O)N2CCS[C@H]2c2ccccc2Cl)c1 ZINC000004709338 570855351 /nfs/dbraw/zinc/85/53/51/570855351.db2.gz SUPFLBXZBNCAKK-FQEVSTJZSA-N 0 0 390.936 4.055 10 0 GIAERN COc1cc(N)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226238631 570935042 /nfs/dbraw/zinc/93/50/42/570935042.db2.gz LAGQFMYKXXKXLM-UHFFFAOYSA-N 0 0 377.469 4.071 10 0 GIAERN Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=N)NC2=O)c1 ZINC000006886609 209128307 /nfs/dbraw/zinc/12/83/07/209128307.db2.gz XCKGHPBNAHGRRJ-GZTJUZNOSA-N 0 0 388.876 4.245 10 0 GIAERN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)[C@H]1CCCO1 ZINC000028284589 206254849 /nfs/dbraw/zinc/25/48/49/206254849.db2.gz NMLXXAJHXZFERL-MRXNPFEDSA-N 0 0 389.473 4.108 10 0 GIAERN CC(C)C[C@@H](NC(=O)Cn1ccc2c1cccc2Cl)c1nnc2ccccn21 ZINC000334162185 206255574 /nfs/dbraw/zinc/25/55/74/206255574.db2.gz PAMOIQCHALWZTC-QGZVFWFLSA-N 0 0 395.894 4.241 10 0 GIAERN O=C(N[C@@H]1CCCC[C@@H]1c1ncc2c(Cl)nccn21)OCc1ccccc1 ZINC000261508290 206286894 /nfs/dbraw/zinc/28/68/94/206286894.db2.gz RBFYGPFPKNPIMI-JKSUJKDBSA-N 0 0 384.867 4.335 10 0 GIAERN COc1ccccc1[C@H]1OC(=O)C[C@@H]1C(=O)Oc1ccc(Cl)cc1Cl ZINC000001038804 206290336 /nfs/dbraw/zinc/29/03/36/206290336.db2.gz MQLSNTVRNGTCEU-YVEFUNNKSA-N 0 0 381.211 4.212 10 0 GIAERN Nc1nc2nc[nH]c2c(NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1 ZINC000005049553 206293176 /nfs/dbraw/zinc/29/31/76/206293176.db2.gz OUFIRRWVSAAKNN-UHFFFAOYSA-N 0 0 385.258 4.443 10 0 GIAERN CCOC(=O)c1cn(-c2ccc(Cl)cc2)c2nc(Cl)c(F)cc2c1=O ZINC000083428768 206297376 /nfs/dbraw/zinc/29/73/76/206297376.db2.gz VDJXNRLOCJTVIP-UHFFFAOYSA-N 0 0 381.190 4.008 10 0 GIAERN CCOc1ccc2c(c1)C1(CCC3(CC1)OCCO3)C(=O)N2Cc1ccccc1 ZINC000022011699 206298522 /nfs/dbraw/zinc/29/85/22/206298522.db2.gz POHYZRRIKGVEFN-UHFFFAOYSA-N 0 0 393.483 4.187 10 0 GIAERN O=C(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026005957 206302494 /nfs/dbraw/zinc/30/24/94/206302494.db2.gz DYHZGUUFDCTMEA-KRWDZBQOSA-N 0 0 396.661 4.009 10 0 GIAERN Cc1cc(NC(=O)CSc2nc(Cc3ccccc3)nc3ccccc32)no1 ZINC000001342636 206374680 /nfs/dbraw/zinc/37/46/80/206374680.db2.gz MACPTKRZJLRZEK-UHFFFAOYSA-N 0 0 390.468 4.248 10 0 GIAERN O=C(c1c(F)cccc1F)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000001364193 206375185 /nfs/dbraw/zinc/37/51/85/206375185.db2.gz SZBPEONDNXEHQB-NSHDSACASA-N 0 0 375.400 4.096 10 0 GIAERN Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)NCCC(C)C)cc21 ZINC000003638374 206490332 /nfs/dbraw/zinc/49/03/32/206490332.db2.gz UTZMNXMJNBXRQJ-UHFFFAOYSA-N 0 0 382.529 4.410 10 0 GIAERN O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1C[C@H]2C[C@@H]1CCC2 ZINC000012703133 206926199 /nfs/dbraw/zinc/92/61/99/206926199.db2.gz IHFVBLAGJBKLIE-OCCSQVGLSA-N 0 0 380.366 4.287 10 0 GIAERN COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)C2(C)CC2)C3)c1 ZINC000015003389 207039808 /nfs/dbraw/zinc/03/98/08/207039808.db2.gz IGQNCKCYQNSROS-KRWDZBQOSA-N 0 0 399.874 4.013 10 0 GIAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccs1 ZINC000015920685 207067497 /nfs/dbraw/zinc/06/74/97/207067497.db2.gz VQQZRMXQOGOFDT-SFHVURJKSA-N 0 0 387.892 4.373 10 0 GIAERN COc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c(Cl)c2)cc1 ZINC000016779587 207078453 /nfs/dbraw/zinc/07/84/53/207078453.db2.gz WWJMLVHIHKYTHL-UHFFFAOYSA-N 0 0 393.848 4.407 10 0 GIAERN CCc1ccccc1N1C[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)CC1=O ZINC000020371964 207189664 /nfs/dbraw/zinc/18/96/64/207189664.db2.gz SGBNWNINWJQSHH-QGZVFWFLSA-N 0 0 391.496 4.364 10 0 GIAERN Clc1ccc(CNc2c(-c3ccc4c(c3)OCCO4)nc3ncccn32)cc1 ZINC000020996869 207223477 /nfs/dbraw/zinc/22/34/77/207223477.db2.gz BHKNTDWTWSTVDJ-UHFFFAOYSA-N 0 0 392.846 4.433 10 0 GIAERN Nc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000038001363 207248193 /nfs/dbraw/zinc/24/81/93/207248193.db2.gz FUXCWBBEKLAWMY-UHFFFAOYSA-N 0 0 390.064 4.356 10 0 GIAERN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCCCCCC1 ZINC000022324289 207252164 /nfs/dbraw/zinc/25/21/64/207252164.db2.gz UYKXGOTUZHGWJA-OAHLLOKOSA-N 0 0 386.439 4.301 10 0 GIAERN CN(Cc1ccccc1N1CCCCC1)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000024391852 207290139 /nfs/dbraw/zinc/29/01/39/207290139.db2.gz YBGFXZZZDAMGMO-UHFFFAOYSA-N 0 0 392.478 4.274 10 0 GIAERN COc1ccccc1N1CCN(C(=O)c2ccc3nc(C4CC4)oc3c2)[C@@H](C)C1 ZINC000012373657 207302594 /nfs/dbraw/zinc/30/25/94/207302594.db2.gz AMSQSTVORIZSSY-HNNXBMFYSA-N 0 0 391.471 4.065 10 0 GIAERN C[C@@H](NC(=O)c1cc(Br)c(Br)s1)c1ccccn1 ZINC000028779423 207347763 /nfs/dbraw/zinc/34/77/63/207347763.db2.gz JMCXDXQAHHWXDM-SSDOTTSWSA-N 0 0 390.100 4.159 10 0 GIAERN Cc1ccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCCC2)cc1 ZINC000028527512 207343175 /nfs/dbraw/zinc/34/31/75/207343175.db2.gz HMGBGNLPDBJRQA-UHFFFAOYSA-N 0 0 378.472 4.428 10 0 GIAERN COc1ccc(-c2nnn(CSC)c2C(=O)Nc2ccccc2Cl)cc1 ZINC000032611851 207398422 /nfs/dbraw/zinc/39/84/22/207398422.db2.gz BDPMVRYCFVWNSO-UHFFFAOYSA-N 0 0 388.880 4.180 10 0 GIAERN COc1ccc(C(=O)Oc2cccc(/C=C3\N=C4CCCCCN4C3=O)c2)cc1 ZINC000032611751 207398992 /nfs/dbraw/zinc/39/89/92/207398992.db2.gz DASSABZMENIPLZ-HKWRFOASSA-N 0 0 390.439 4.070 10 0 GIAERN COc1ccccc1N1C(=N)SC(=Cc2c[nH]nc2-c2ccc(F)cc2)C1=O ZINC000033296912 207451371 /nfs/dbraw/zinc/45/13/71/207451371.db2.gz HUELZSLEYQGKGN-SJXTUUAMSA-N 0 0 394.431 4.280 10 0 GIAERN O=C(Nc1ccccc1N1CCCN(Cc2cccc(F)c2)C1=O)C1CCC1 ZINC000034734953 207472991 /nfs/dbraw/zinc/47/29/91/207472991.db2.gz MDAABQBFLMKIQX-UHFFFAOYSA-N 0 0 381.451 4.397 10 0 GIAERN COc1cc(CO[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc(OC)c1 ZINC000036315573 207519309 /nfs/dbraw/zinc/51/93/09/207519309.db2.gz TVBFODKKZBXHNK-SFHVURJKSA-N 0 0 389.879 4.179 10 0 GIAERN CC(C)NC(=O)N1CCc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2C1 ZINC000038544711 207557640 /nfs/dbraw/zinc/55/76/40/207557640.db2.gz BTFWRISJWUMMQC-UHFFFAOYSA-N 0 0 376.460 4.345 10 0 GIAERN CCCC(CCC)C(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 ZINC000040838572 207610247 /nfs/dbraw/zinc/61/02/47/207610247.db2.gz KUYYXPPNBXHJFA-UHFFFAOYSA-N 0 0 392.565 4.013 10 0 GIAERN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)CS2)cc1 ZINC000072412827 208018965 /nfs/dbraw/zinc/01/89/65/208018965.db2.gz BGGNHDDNOKPDMN-KRWDZBQOSA-N 0 0 385.876 4.129 10 0 GIAERN COC(=O)c1ccc2c(c1)nccc2-c1c2n(nc1-c1cccc(C)n1)CCC2 ZINC000091302007 208114574 /nfs/dbraw/zinc/11/45/74/208114574.db2.gz WUSBWWWXKVBGOW-UHFFFAOYSA-N 0 0 384.439 4.202 10 0 GIAERN CNc1nc2ccccc2nc1OCC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075847 208152281 /nfs/dbraw/zinc/15/22/81/208152281.db2.gz NLVNHQKLIQNPEF-OAHLLOKOSA-N 0 0 386.496 4.230 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C[S@@](=O)c1nc2ccccc2s1 ZINC000095086849 208154784 /nfs/dbraw/zinc/15/47/84/208154784.db2.gz MRGMVUAQYQFSJR-CANCMXDXSA-N 0 0 380.535 4.194 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl ZINC000095086180 208155132 /nfs/dbraw/zinc/15/51/32/208155132.db2.gz GAFYGTBIPRDQHG-HNNXBMFYSA-N 0 0 387.307 4.399 10 0 GIAERN CCOc1nc2ccccc2nc1OC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091826 208155298 /nfs/dbraw/zinc/15/52/98/208155298.db2.gz JKLJCUQBGKFECW-HNNXBMFYSA-N 0 0 387.480 4.197 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C[S@](=O)c1nc2ccccc2s1 ZINC000095086851 208156166 /nfs/dbraw/zinc/15/61/66/208156166.db2.gz MRGMVUAQYQFSJR-ZJWNCGCPSA-N 0 0 380.535 4.194 10 0 GIAERN CCOC(=O)c1cccc(-c2nnc(-c3cccc(C(=O)OCC)c3)s2)c1 ZINC000095930091 208238567 /nfs/dbraw/zinc/23/85/67/208238567.db2.gz FQDOTHGXJYRZPV-UHFFFAOYSA-N 0 0 382.441 4.226 10 0 GIAERN COc1cc2c(cc1OC)C(=O)[C@@H](/C=C1\C=CN(Cc3ccccc3)CC1)C2 ZINC000095934684 208239111 /nfs/dbraw/zinc/23/91/11/208239111.db2.gz FPYFEKPOEKQALJ-KZFLWGQDSA-N 0 0 375.468 4.405 10 0 GIAERN CC(C)(C)OC(=O)N1CCC2(CC1)CCNc1cc(Br)ccc1O2 ZINC000096028991 208253339 /nfs/dbraw/zinc/25/33/39/208253339.db2.gz NIRPLJHBAKDTOB-UHFFFAOYSA-N 0 0 397.313 4.413 10 0 GIAERN Cc1ccccc1NC(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 ZINC000096062670 208259799 /nfs/dbraw/zinc/25/97/99/208259799.db2.gz WBMLWYUPWMUFME-UHFFFAOYSA-N 0 0 381.439 4.473 10 0 GIAERN C[C@H](c1ccccc1)[C@H](CC(=O)N1CCOCC1)c1cn(C)c2ccccc12 ZINC000096278702 208301995 /nfs/dbraw/zinc/30/19/95/208301995.db2.gz PKGSCBPNFLZFSY-NQIIRXRSSA-N 0 0 376.500 4.315 10 0 GIAERN CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1C(C)C ZINC000096287221 208302655 /nfs/dbraw/zinc/30/26/55/208302655.db2.gz MNHALCUSTDBHJT-UHFFFAOYSA-N 0 0 384.505 4.237 10 0 GIAERN Cc1ccc(NC(=O)CN2CCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000096279327 208302794 /nfs/dbraw/zinc/30/27/94/208302794.db2.gz DOHZVELADSLMQZ-QFIPXVFZSA-N 0 0 379.891 4.494 10 0 GIAERN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccco2)no1)c1cccc(F)c1 ZINC000096293789 208304144 /nfs/dbraw/zinc/30/41/44/208304144.db2.gz VTVXHDAAUUGPOT-KRWDZBQOSA-N 0 0 377.375 4.183 10 0 GIAERN CCCn1ccc2oc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1=O ZINC000096396431 208314312 /nfs/dbraw/zinc/31/43/12/208314312.db2.gz QAYDGIBTWOSWKF-UHFFFAOYSA-N 0 0 392.499 4.408 10 0 GIAERN CCCC[C@@H](CC)C(=O)O[C@H](C)CNC(=O)[C@H](C)OC(=O)[C@H](CC)CCCC ZINC000100355795 208376391 /nfs/dbraw/zinc/37/63/91/208376391.db2.gz BUFBUWAALXANIF-FCGDIQPGSA-N 0 0 399.572 4.399 10 0 GIAERN NC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000226329345 208472808 /nfs/dbraw/zinc/47/28/08/208472808.db2.gz BVKPXMGXELIRJC-UHFFFAOYSA-N 0 0 375.049 4.434 10 0 GIAERN Cc1cc(C)c(OCC(=O)Nc2cc3sc(=NN)[nH]c3c(C)c2)c(Cl)c1 ZINC000226313594 208473483 /nfs/dbraw/zinc/47/34/83/208473483.db2.gz SBXTYFCLECKUGW-UHFFFAOYSA-N 0 0 390.896 4.178 10 0 GIAERN COc1cccc([C@H](O)Cn2cc(Br)c(-c3ccc(F)cc3)n2)c1 ZINC000152341775 208546680 /nfs/dbraw/zinc/54/66/80/208546680.db2.gz KOUCKVFLUQSHNY-QGZVFWFLSA-N 0 0 391.240 4.194 10 0 GIAERN O[C@@H](Cc1ccc(Br)cc1)Cc1ccc(F)cc1Br ZINC000053782828 208793118 /nfs/dbraw/zinc/79/31/18/208793118.db2.gz YLOUTPQGWRHLRJ-AWEZNQCLSA-N 0 0 388.074 4.497 10 0 GIAERN COc1ccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1OC ZINC000027923120 208924787 /nfs/dbraw/zinc/92/47/87/208924787.db2.gz TVRDBQYIAQFZTM-UHFFFAOYSA-N 0 0 387.439 4.354 10 0 GIAERN CCc1ccc(OCc2ccc(C(=O)NCc3ccc(OC)c(OC)c3)o2)cc1 ZINC000027974178 208927838 /nfs/dbraw/zinc/92/78/38/208927838.db2.gz JJBVKYNPOYQIPD-UHFFFAOYSA-N 0 0 395.455 4.368 10 0 GIAERN O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)Oc1ccccc1F ZINC000028628170 208951087 /nfs/dbraw/zinc/95/10/87/208951087.db2.gz WUCDOHSDYBETMQ-HNNXBMFYSA-N 0 0 377.677 4.255 10 0 GIAERN CCC(=O)Nc1cc2nc(C)ccc2c(C(=O)NCc2cc(F)cc(F)c2)c1 ZINC000064748020 209002710 /nfs/dbraw/zinc/00/27/10/209002710.db2.gz QCQSTKFZHVMVDR-UHFFFAOYSA-N 0 0 383.398 4.100 10 0 GIAERN N=C1NC(=O)/C(=C\c2cccc(OCCCOc3ccccc3Cl)c2)S1 ZINC000041077988 209095799 /nfs/dbraw/zinc/09/57/99/209095799.db2.gz IAZHOHMDJAGFSO-SFQUDFHCSA-N 0 0 388.876 4.327 10 0 GIAERN Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 ZINC000058604152 136155592 /nfs/dbraw/zinc/15/55/92/136155592.db2.gz IRVSVOGCUKJKED-UHFFFAOYSA-N 0 0 384.886 4.295 10 0 GIAERN O=C(Nc1ccccc1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000065172607 222106483 /nfs/dbraw/zinc/10/64/83/222106483.db2.gz FNNOQDASVOVWJP-UHFFFAOYSA-N 0 0 388.471 4.077 10 0 GIAERN COC(=O)[C@](C)(Cc1ccc(Oc2cc(Cl)nc(N)n2)cc1)c1ccccc1 ZINC000071973537 222201692 /nfs/dbraw/zinc/20/16/92/222201692.db2.gz LUUVPZWJAPJSTP-OAQYLSRUSA-N 0 0 397.862 4.178 10 0 GIAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC[C@@H]2C(=O)[O-])c1C ZINC000073679684 526565091 /nfs/dbraw/zinc/56/50/91/526565091.db2.gz NJTYWQQSMPIMNA-OAHLLOKOSA-N 0 0 379.382 4.223 10 0 GIAERN COc1ccc(NC(=O)C(C)C)cc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000034739777 570326921 /nfs/dbraw/zinc/32/69/21/570326921.db2.gz ADACUSPUJUXISR-UHFFFAOYSA-N 0 0 395.503 4.430 10 0 GIAERN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(C)cc3)CC1)c1cccn1-2 ZINC000035399525 570350387 /nfs/dbraw/zinc/35/03/87/570350387.db2.gz MHLRCMFPPMHTPN-UHFFFAOYSA-N 0 0 387.483 4.351 10 0 GIAERN Cc1nnc(-c2cn(CC(=O)N[C@H]3CCCc4ccccc43)c3ccccc23)o1 ZINC000035423157 570354793 /nfs/dbraw/zinc/35/47/93/570354793.db2.gz OGQAKOYDNFNUQL-FQEVSTJZSA-N 0 0 386.455 4.194 10 0 GIAERN O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004659707 570390285 /nfs/dbraw/zinc/39/02/85/570390285.db2.gz RRMHTYPNRHAZIT-FTUNRGFVSA-N 0 0 379.843 4.107 10 0 GIAERN Cc1[nH]c(C(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)c(C)c1C ZINC000033024391 570399706 /nfs/dbraw/zinc/39/97/06/570399706.db2.gz NOFMXLTZYNLRJF-GOSISDBHSA-N 0 0 381.520 4.060 10 0 GIAERN COc1ccc(OC)c(NC(=S)N(Cc2ccco2)Cc2ccccn2)c1 ZINC000006289496 570476022 /nfs/dbraw/zinc/47/60/22/570476022.db2.gz WYTGIXCVPQDMAE-UHFFFAOYSA-N 0 0 383.473 4.091 10 0 GIAERN O=C(C1CCC1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006695270 570538494 /nfs/dbraw/zinc/53/84/94/570538494.db2.gz MHLFBMVDCITMJF-HXUWFJFHSA-N 0 0 384.426 4.287 10 0 GIAERN O=C(C1CCC1)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006695269 570538560 /nfs/dbraw/zinc/53/85/60/570538560.db2.gz MHLFBMVDCITMJF-FQEVSTJZSA-N 0 0 384.426 4.287 10 0 GIAERN Cc1ccc2c(c1)N(CC(=O)N[C@@H](C)c1ccccc1)C(=O)c1cccnc1O2 ZINC000006878042 570669666 /nfs/dbraw/zinc/66/96/66/570669666.db2.gz PZOTYBXPHHLAKH-INIZCTEOSA-N 0 0 387.439 4.020 10 0 GIAERN Cc1csc2nc(C)nc(N[C@@H](c3nc(C(C)C)no3)C3CCOCC3)c12 ZINC000275521433 570695225 /nfs/dbraw/zinc/69/52/25/570695225.db2.gz YCRBWHHKEAKRHF-OAHLLOKOSA-N 0 0 387.509 4.394 10 0 GIAERN CCn1cc2c3c1cccc3CN(C(=O)Nc1ccc(OC)c(OC)c1)CC2 ZINC000065148827 570710626 /nfs/dbraw/zinc/71/06/26/570710626.db2.gz PANUVWBMEXUKOH-UHFFFAOYSA-N 0 0 379.460 4.269 10 0 GIAERN Cc1ccc(-c2nc(N[C@@H](C)c3ccncn3)ncc2-c2ccc(N)nc2)cc1 ZINC000065532035 570831904 /nfs/dbraw/zinc/83/19/04/570831904.db2.gz YPYJSRYSOFMDMP-HNNXBMFYSA-N 0 0 383.459 4.059 10 0 GIAERN CCc1noc(-c2c(C)cc(C)n2CC(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000065186014 570843558 /nfs/dbraw/zinc/84/35/58/570843558.db2.gz BNAJLZDZIZYZJU-UHFFFAOYSA-N 0 0 388.855 4.018 10 0 GIAERN Cc1cc(NC(=O)c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)s2)ccn1 ZINC000498050492 570909287 /nfs/dbraw/zinc/90/92/87/570909287.db2.gz FRZRJPUSVZWGKZ-UHFFFAOYSA-N 0 0 399.516 4.150 10 0 GIAERN Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)cc(Br)c1O ZINC000226243675 570935663 /nfs/dbraw/zinc/93/56/63/570935663.db2.gz DZGJHVQRSXYHNK-UHFFFAOYSA-N 0 0 399.697 4.243 10 0 GIAERN Cc1noc(C)c1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012714915 570967465 /nfs/dbraw/zinc/96/74/65/570967465.db2.gz IZALPUDYCNSJPG-GOSISDBHSA-N 0 0 378.476 4.229 10 0 GIAERN O=C(CCn1c(Cc2ccc(F)cc2)nc2ccccc21)NCc1ccco1 ZINC000037397356 571003790 /nfs/dbraw/zinc/00/37/90/571003790.db2.gz PXMKIKUJQLQRJV-UHFFFAOYSA-N 0 0 377.419 4.066 10 0 GIAERN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@H](O)[C@@H]2O ZINC000065734643 209136182 /nfs/dbraw/zinc/13/61/82/209136182.db2.gz GDUPBUZZJUIEDX-FLEOUKIISA-N 0 0 378.512 4.453 10 0 in-vitro GIAERN Cc1ccccc1OCCOc1ccc(Cl)cc1/C=C1/SC(=N)NC1=O ZINC000006973957 209129047 /nfs/dbraw/zinc/12/90/47/209129047.db2.gz CQULMRHIXSYTHQ-GZTJUZNOSA-N 0 0 388.876 4.245 10 0 GIAERN COc1cccc(OCCc2nnc(NC(=O)c3ccccc3Cl)s2)c1 ZINC000095116469 209120457 /nfs/dbraw/zinc/12/04/57/209120457.db2.gz RWMCKOAHSHKSGV-UHFFFAOYSA-N 0 0 389.864 4.074 10 0 GIAERN CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2n1C ZINC000334161800 206255394 /nfs/dbraw/zinc/25/53/94/206255394.db2.gz IRNPJJRNNBGCRJ-OAQYLSRUSA-N 0 0 391.515 4.135 10 0 GIAERN Cn1c(=O)c(CSc2ccc(F)cc2)nnc1Nc1ccc(Cl)cc1 ZINC000334163171 206255622 /nfs/dbraw/zinc/25/56/22/206255622.db2.gz VRWQEWKRDFFQSJ-UHFFFAOYSA-N 0 0 376.844 4.004 10 0 GIAERN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(OC)c(OC)c3)oc2c1 ZINC000226284050 206259015 /nfs/dbraw/zinc/25/90/15/206259015.db2.gz BNDIIKBVYUNFTO-UHFFFAOYSA-N 0 0 394.349 4.427 10 0 GIAERN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@H](C)C2 ZINC000031169950 206264594 /nfs/dbraw/zinc/26/45/94/206264594.db2.gz PDDXWOMYBJCSQB-NWDGAFQWSA-N 0 0 386.444 4.185 10 0 GIAERN CC(C)OC(=O)c1cn(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc12 ZINC000003649263 206293346 /nfs/dbraw/zinc/29/33/46/206293346.db2.gz VGJAQDOOFNDDEH-UHFFFAOYSA-N 0 0 377.849 4.097 10 0 GIAERN CCc1c(Cc2cccc3ccccc32)nc(SCC(OC)OC)[nH]c1=O ZINC000005886737 206293669 /nfs/dbraw/zinc/29/36/69/206293669.db2.gz CPAAYBIUIDBXMP-UHFFFAOYSA-N 0 0 384.501 4.200 10 0 GIAERN Nc1nc(=O)n(CCCOc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000017040266 206296042 /nfs/dbraw/zinc/29/60/42/206296042.db2.gz UROXLBPXBLYAAS-UHFFFAOYSA-N 0 0 390.270 4.268 10 0 GIAERN Cc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)/C=C\c3ccc(C)o3)n2)o1 ZINC000001114161 206354070 /nfs/dbraw/zinc/35/40/70/206354070.db2.gz PZHCEUUVBDXPDX-PJABCKPXSA-N 0 0 377.400 4.188 10 0 GIAERN CCN(CC)c1ccc2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000001616711 206387483 /nfs/dbraw/zinc/38/74/83/206387483.db2.gz QIFHZCHUACPGJA-UHFFFAOYSA-N 0 0 391.876 4.125 10 0 aggregator GIAERN CCCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000001927436 206394715 /nfs/dbraw/zinc/39/47/15/206394715.db2.gz MSHRLTFFXAIXOP-MARXPDLDSA-N 0 0 398.528 4.413 10 0 GIAERN CCOC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2C)sc2c1CCC2 ZINC000001937534 206394823 /nfs/dbraw/zinc/39/48/23/206394823.db2.gz MLRMNHAYAGKPPV-UHFFFAOYSA-N 0 0 387.501 4.356 10 0 GIAERN COc1cc(/C=C/C(=O)Nc2nc(C)c(C)s2)cc(Br)c1OC ZINC000001990514 206395796 /nfs/dbraw/zinc/39/57/96/206395796.db2.gz XGPDGWAKEUVIMA-AATRIKPKSA-N 0 0 397.294 4.192 10 0 GIAERN COc1ccc(CCNc2cc3c(nn2)Oc2ccccc2N3C)cc1OC ZINC000006791536 206676656 /nfs/dbraw/zinc/67/66/56/206676656.db2.gz QXNDQEGHOVJVEA-UHFFFAOYSA-N 0 0 378.432 4.022 10 0 GIAERN O=C(c1cccs1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2cccnc2)=NO1 ZINC000006874444 206687936 /nfs/dbraw/zinc/68/79/36/206687936.db2.gz LCJIHLOSZCMLEU-SFHVURJKSA-N 0 0 395.459 4.118 10 0 GIAERN O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1cccc(Cl)c1 ZINC000009625996 206794495 /nfs/dbraw/zinc/79/44/95/206794495.db2.gz GURNSRUGNKXUGQ-UHFFFAOYSA-N 0 0 392.912 4.432 10 0 GIAERN CC[C@]1(CCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CCC(=O)N1 ZINC000012244052 206874344 /nfs/dbraw/zinc/87/43/44/206874344.db2.gz IEEKCKXSVPVDOL-YADHBBJMSA-N 0 0 384.907 4.385 10 0 GIAERN O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCc2ccccc2C1 ZINC000012472775 206904522 /nfs/dbraw/zinc/90/45/22/206904522.db2.gz YJAFHKJZQVNLBC-UHFFFAOYSA-N 0 0 386.810 4.245 10 0 GIAERN COC(=O)c1cccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)C2(C)CC2)C3)c1 ZINC000015003386 207040293 /nfs/dbraw/zinc/04/02/93/207040293.db2.gz IGQNCKCYQNSROS-QGZVFWFLSA-N 0 0 399.874 4.013 10 0 GIAERN Cc1cc(OC(F)(F)F)cc(Br)c1I ZINC000015443781 207051588 /nfs/dbraw/zinc/05/15/88/207051588.db2.gz UFJSLNZDSYFFPI-UHFFFAOYSA-N 0 0 380.929 4.261 10 0 GIAERN COc1cc2c(cc1CN[C@@H](Cc1cccs1)c1nccs1)OCCO2 ZINC000019550632 207129835 /nfs/dbraw/zinc/12/98/35/207129835.db2.gz GPTYYCBYUBKNEE-HNNXBMFYSA-N 0 0 388.514 4.058 10 0 GIAERN COc1ccc(C(=O)Nc2nnc(CSc3ccccc3)s2)cc1OC ZINC000020258905 207187411 /nfs/dbraw/zinc/18/74/11/207187411.db2.gz WKNYNEXHKGOABR-UHFFFAOYSA-N 0 0 387.486 4.100 10 0 GIAERN O=C(CCCc1cccs1)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000020995774 207222411 /nfs/dbraw/zinc/22/24/11/207222411.db2.gz PCNHHZOVVQMWAW-HNNXBMFYSA-N 0 0 397.466 4.270 10 0 GIAERN CC(=O)Nc1ccc(-c2cc(C(=O)NCCc3ccco3)c3ccccc3n2)cc1 ZINC000021728019 207237226 /nfs/dbraw/zinc/23/72/26/207237226.db2.gz CGMFDHHEAGMCGS-UHFFFAOYSA-N 0 0 399.450 4.426 10 0 GIAERN O=C(c1cc(-c2cn[nH]c2)nc2ccccc21)N1CC[C@H](c2ccccc2F)C1 ZINC000023312358 207273646 /nfs/dbraw/zinc/27/36/46/207273646.db2.gz RLOGSVRHSJMWEA-HNNXBMFYSA-N 0 0 386.430 4.394 10 0 GIAERN CCc1ccc(Nc2nnc(SCc3ccc(OC)cc3)n(CC)c2=O)cc1 ZINC000028536690 207343592 /nfs/dbraw/zinc/34/35/92/207343592.db2.gz GGOMMIMFEQOHAY-UHFFFAOYSA-N 0 0 396.516 4.265 10 0 GIAERN C[C@H](NC(=O)c1cc(Br)c(Br)s1)c1ccccn1 ZINC000028779426 207348870 /nfs/dbraw/zinc/34/88/70/207348870.db2.gz JMCXDXQAHHWXDM-ZETCQYMHSA-N 0 0 390.100 4.159 10 0 GIAERN COc1ccc(-c2nc(SCC(=O)Nc3cccc(Cl)c3)no2)cc1 ZINC000032612006 207399227 /nfs/dbraw/zinc/39/92/27/207399227.db2.gz WJXDPKZABXOFMT-UHFFFAOYSA-N 0 0 375.837 4.129 10 0 GIAERN CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)N(c2ccc(C)cc2)C1=S ZINC000033891993 207464830 /nfs/dbraw/zinc/46/48/30/207464830.db2.gz UUVMNCQNAXPYFV-LDADJPATSA-N 0 0 382.485 4.007 10 0 GIAERN C[C@H]1CCCN(CC(=O)c2cc(Br)sc2Br)C1 ZINC000035021373 207481387 /nfs/dbraw/zinc/48/13/87/207481387.db2.gz DJTZTWASGJFUNQ-QMMMGPOBSA-N 0 0 381.133 4.188 10 0 GIAERN O=C(c1ccccc1)N(Cc1cc(-c2ccc(F)cc2)on1)C[C@@H]1CCCO1 ZINC000036012524 207507383 /nfs/dbraw/zinc/50/73/83/207507383.db2.gz UVVGZZAIBVPQRE-FQEVSTJZSA-N 0 0 380.419 4.302 10 0 GIAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000038426351 207559124 /nfs/dbraw/zinc/55/91/24/207559124.db2.gz HWAOMBULLIBDHL-FEQOUAIHSA-N 0 0 390.520 4.072 10 0 GIAERN Cc1ccc(Sc2ncnc(Nc3ccc(Br)cn3)c2N)cc1 ZINC000040779764 207609026 /nfs/dbraw/zinc/60/90/26/207609026.db2.gz XFGGNSQWAAOHFX-UHFFFAOYSA-N 0 0 388.294 4.420 10 0 GIAERN CCn1c(C(=O)N(C)c2cc(C)ccc2OC)cc2c1c1ccccc1oc2=O ZINC000064839098 207814088 /nfs/dbraw/zinc/81/40/88/207814088.db2.gz HBPKAJZPDMFBJH-UHFFFAOYSA-N 0 0 390.439 4.361 10 0 GIAERN Cc1cccc(NC(=O)CN2CCCC[C@H]2c2nc(-c3cccc(F)c3)no2)c1 ZINC000065250088 207851748 /nfs/dbraw/zinc/85/17/48/207851748.db2.gz MNDALMDUKCIGAB-IBGZPJMESA-N 0 0 394.450 4.350 10 0 GIAERN COc1ccc(CN2C(=O)CN(C3CCCCC3)C(=O)[C@H]2c2cccs2)cc1 ZINC000065273932 207856140 /nfs/dbraw/zinc/85/61/40/207856140.db2.gz ADMHAOYJBBSYER-OAQYLSRUSA-N 0 0 398.528 4.002 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOCc2ccc(Br)nc2)C1 ZINC000095085204 208151909 /nfs/dbraw/zinc/15/19/09/208151909.db2.gz YARJOKIVGYWSRX-CQSZACIVSA-N 0 0 399.329 4.398 10 0 GIAERN O[C@@H]1CCCN(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)C1 ZINC000095078240 208152399 /nfs/dbraw/zinc/15/23/99/208152399.db2.gz KHZRNVRXYWMNIA-CYBMUJFWSA-N 0 0 376.287 4.353 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1Cn1c2ncccc2nc1C(F)(F)F ZINC000095086420 208155331 /nfs/dbraw/zinc/15/53/31/208155331.db2.gz MMYGRPUIZYOSQL-GFCCVEGCSA-N 0 0 384.402 4.240 10 0 GIAERN CCOc1nc2ccccc2nc1NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091813 208155954 /nfs/dbraw/zinc/15/59/54/208155954.db2.gz SSBRQLIQIVKSDR-OAHLLOKOSA-N 0 0 386.496 4.230 10 0 GIAERN CC(C)N(Cc1cccc(F)c1)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088142 208156205 /nfs/dbraw/zinc/15/62/05/208156205.db2.gz ZHJZQXOTVDZXGD-SFHVURJKSA-N 0 0 378.488 4.352 10 0 GIAERN Cc1ccc(NC(=O)CN2CCn3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000096279328 208302832 /nfs/dbraw/zinc/30/28/32/208302832.db2.gz DOHZVELADSLMQZ-JOCHJYFZSA-N 0 0 379.891 4.494 10 0 GIAERN Cc1nc(-c2c(C)cc(C)nc2NC(=O)c2ccccc2C(F)(F)F)no1 ZINC000096400039 208315574 /nfs/dbraw/zinc/31/55/74/208315574.db2.gz BNVMLHRPAFBBLE-UHFFFAOYSA-N 0 0 376.338 4.328 10 0 GIAERN CCc1cc(I)c(CC)cc1I ZINC000100045815 208372750 /nfs/dbraw/zinc/37/27/50/208372750.db2.gz CTWJTDSEKVBFMK-UHFFFAOYSA-N 0 0 386.014 4.021 10 0 GIAERN COc1ccc(OC)c(N(CC(=O)c2ccc(C)cc2)C2=NCCCS2)c1 ZINC000027027399 208814723 /nfs/dbraw/zinc/81/47/23/208814723.db2.gz FQHCLGVVOVAXAT-UHFFFAOYSA-N 0 0 384.501 4.194 10 0 GIAERN COc1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C ZINC000041076966 209095706 /nfs/dbraw/zinc/09/57/06/209095706.db2.gz LJSUIEBDPDXRPX-UHFFFAOYSA-N 0 0 379.460 4.227 10 0 GIAERN COCOc1cc2c(cc1C=O)[C@@H]1CC[C@]3(C)[C@H](OCOC)CC[C@H]3[C@@H]1CC2 ZINC000256439195 209046666 /nfs/dbraw/zinc/04/66/66/209046666.db2.gz PGRCGHQMTWFDPC-XZQWRAICSA-N 0 0 388.504 4.327 10 0 GIAERN Cc1ccc2c(c1)OC[C@H](CC(=O)NCc1ccco1)N2Cc1ccc(F)cc1 ZINC000096323001 136186604 /nfs/dbraw/zinc/18/66/04/136186604.db2.gz WDRGRZRZHRVKIZ-IBGZPJMESA-N 0 0 394.446 4.201 10 0 GIAERN C=C/C=C(\C=C/C)C1(CNC(=O)c2ccc(OCC)c(OC)c2)CCOCC1 ZINC000026808189 221647027 /nfs/dbraw/zinc/64/70/27/221647027.db2.gz CGKFCVYQCUFYEF-RYSCCRRDSA-N 0 0 385.504 4.309 10 0 GIAERN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)n1cc(Br)cn1 ZINC000028224653 221670013 /nfs/dbraw/zinc/67/00/13/221670013.db2.gz ZILOAKYGAPVRLE-CYBMUJFWSA-N 0 0 398.260 4.076 10 0 GIAERN COc1ccccc1Oc1ncnc(Oc2ccc(Br)cc2)c1N ZINC000040802195 518170378 /nfs/dbraw/zinc/17/03/78/518170378.db2.gz OTZJQGBDJSWIDM-UHFFFAOYSA-N 0 0 388.221 4.415 10 0 GIAERN CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000073657173 520006743 /nfs/dbraw/zinc/00/67/43/520006743.db2.gz AMZJLRODNSYOII-FUHWJXTLSA-N 0 0 376.497 4.433 10 0 GIAERN CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000073657174 520009283 /nfs/dbraw/zinc/00/92/83/520009283.db2.gz AMZJLRODNSYOII-WMZOPIPTSA-N 0 0 376.497 4.433 10 0 GIAERN CCNc1ncc(-c2cc(C(=O)N3CCC[C@H]3C)c3cccc(C)c3n2)cn1 ZINC000023153420 520362260 /nfs/dbraw/zinc/36/22/60/520362260.db2.gz XKSYULFZYQFSFB-OAHLLOKOSA-N 0 0 375.476 4.057 10 0 GIAERN CCCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652649 521432338 /nfs/dbraw/zinc/43/23/38/521432338.db2.gz ZGCQDTXOHKJFRY-GOSISDBHSA-N 0 0 376.497 4.435 10 0 GIAERN COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(OC(F)(F)F)cc3)n2)c1 ZINC000057341635 525698720 /nfs/dbraw/zinc/69/87/20/525698720.db2.gz GYDDYZFNQVGTRZ-UHFFFAOYSA-N 0 0 377.322 4.088 10 0 GIAERN CCCCC[C@H](C[C@H](CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O ZINC000015256977 560096976 /nfs/dbraw/zinc/09/69/76/560096976.db2.gz QCJKXQWAFFZFLJ-UXHICEINSA-N 0 0 394.508 4.470 10 0 endogenous,in-man GIAERN CC(C)Cc1ccc(-c2nc(-c3ccc(C[NH+]4CC(C(=O)[O-])C4)cc3)no2)cc1 ZINC000003819496 560189793 /nfs/dbraw/zinc/18/97/93/560189793.db2.gz SHQNRSGKLNMHOS-UHFFFAOYSA-N 0 0 391.471 4.119 10 0 in-vitro GIAERN CC[C@@H](C)NC(=O)c1cnn2c1N[C@@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F ZINC000085606318 570246102 /nfs/dbraw/zinc/24/61/02/570246102.db2.gz NFRJUVNFBKAFLS-LYRGGWFBSA-N 0 0 396.413 4.080 10 0 GIAERN CC(C)CNC(=O)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684577 570301407 /nfs/dbraw/zinc/30/14/07/570301407.db2.gz GADOYMRNDJXZBV-UHFFFAOYSA-N 0 0 385.939 4.048 10 0 GIAERN COc1ccc(NC(=O)C[C@H]2C[C@@H](C(=O)Nc3ccc(OC)cc3)C2(C)C)cc1 ZINC000003172181 570331554 /nfs/dbraw/zinc/33/15/54/570331554.db2.gz CVSJDFICMNTSJM-QRWLVFNGSA-N 0 0 396.487 4.333 10 0 GIAERN O=C1c2ccccc2[C@@H](Nc2ccc3c(c2)OCCO3)N1c1ccc(Cl)cn1 ZINC000004960894 570382710 /nfs/dbraw/zinc/38/27/10/570382710.db2.gz QVDGVUOMFLHDLE-FQEVSTJZSA-N 0 0 393.830 4.277 10 0 aggregator GIAERN O=C(Nc1ccc(Cc2nc(-c3ccccc3)no2)cc1)c1n[nH]c2c1CCCC2 ZINC000021362473 570393497 /nfs/dbraw/zinc/39/34/97/570393497.db2.gz ZIJBUBVMKFTHOY-UHFFFAOYSA-N 0 0 399.454 4.182 10 0 GIAERN O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Br)o1 ZINC000224283527 570438373 /nfs/dbraw/zinc/43/83/73/570438373.db2.gz ZROXWEMWVIDVLA-UHFFFAOYSA-N 0 0 378.157 4.016 10 0 GIAERN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)C(C)C)c1 ZINC000006739638 570561726 /nfs/dbraw/zinc/56/17/26/570561726.db2.gz CWTLMMFUBDDZRU-OAQYLSRUSA-N 0 0 384.501 4.458 10 0 GIAERN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)NC1CCCCC1 ZINC000064969182 570619860 /nfs/dbraw/zinc/61/98/60/570619860.db2.gz VAUXTKXJHCENGB-UHFFFAOYSA-N 0 0 377.488 4.021 10 0 GIAERN CCN(C[C@@H]1Cc2ccccc2O1)C(=S)Nc1ccc(Br)cc1 ZINC000005568416 570645656 /nfs/dbraw/zinc/64/56/56/570645656.db2.gz OVQRSRYBOWYGGR-INIZCTEOSA-N 0 0 391.334 4.472 10 0 GIAERN CCCNC(=O)CCc1c(C)c2c(C)nn(-c3cccc(F)c3)c2nc1OCC ZINC000046006305 570650482 /nfs/dbraw/zinc/65/04/82/570650482.db2.gz HZFJCQOOPSBVNC-UHFFFAOYSA-N 0 0 398.482 4.034 10 0 GIAERN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)c1 ZINC000012709497 570701641 /nfs/dbraw/zinc/70/16/41/570701641.db2.gz SFWHQUOMSOJHTI-KRWDZBQOSA-N 0 0 396.487 4.076 10 0 GIAERN CC(C)[C@H]1Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2NC1=O ZINC000006919943 570704631 /nfs/dbraw/zinc/70/46/31/570704631.db2.gz CSASSZIALUBYHW-JOCHJYFZSA-N 0 0 391.515 4.170 10 0 GIAERN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135634 570709517 /nfs/dbraw/zinc/70/95/17/570709517.db2.gz FWLJWXMLVUBZLR-QGZVFWFLSA-N 0 0 379.410 4.442 10 0 GIAERN O=C(c1cc(-c2cncnc2)nc2ccc(F)cc21)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000063855738 570751816 /nfs/dbraw/zinc/75/18/16/570751816.db2.gz IHPJZMMTBNQIDU-HOTGVXAUSA-N 0 0 390.462 4.483 10 0 GIAERN O=C(c1cccs1)N1CCC[C@@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148322 570831193 /nfs/dbraw/zinc/83/11/93/570831193.db2.gz QGMHIQACFAVRLL-CQSZACIVSA-N 0 0 382.464 4.441 10 0 GIAERN NC(=O)/C=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000409416147 231204503 /nfs/dbraw/zinc/20/45/03/231204503.db2.gz UIHQIFZAHNRNMZ-WAYWQWQTSA-N 0 0 384.632 4.319 10 0 GIAERN CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000008562197 209134289 /nfs/dbraw/zinc/13/42/89/209134289.db2.gz XJZUZBKNMDFXKB-UHFFFAOYSA-N 0 0 383.625 4.498 10 0 GIAERN Cc1cc(OCCOc2cccc(/C=C3/SC(=N)NC3=O)c2)ccc1Cl ZINC000006768629 209128922 /nfs/dbraw/zinc/12/89/22/209128922.db2.gz DFRCOGUUCJPOJV-GZTJUZNOSA-N 0 0 388.876 4.245 10 0 GIAERN COc1ccc(-c2nnc3ccc(SCc4cccc(F)c4)nn32)cc1OC ZINC000004165166 209121601 /nfs/dbraw/zinc/12/16/01/209121601.db2.gz XEEIVXAGLGXFPW-UHFFFAOYSA-N 0 0 396.447 4.240 10 0 GIAERN COc1cc(OC)cc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)c1 ZINC000226272263 206259167 /nfs/dbraw/zinc/25/91/67/206259167.db2.gz RRUAMIWDXMUSEZ-UHFFFAOYSA-N 0 0 394.349 4.346 10 0 GIAERN COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCCC2)cc1Cl ZINC000226262268 206259408 /nfs/dbraw/zinc/25/94/08/206259408.db2.gz HEZMLLQTNODTRS-UHFFFAOYSA-N 0 0 380.275 4.437 10 0 GIAERN Cc1cc(CCCCCOc2c(Cl)cc(-c3nnn(C)n3)cc2Cl)on1 ZINC000003600034 206291844 /nfs/dbraw/zinc/29/18/44/206291844.db2.gz SPGRSSKFZLJNIU-UHFFFAOYSA-N 0 0 396.278 4.272 10 0 GIAERN COc1ccc2nc(-c3ccccc3)cc(S(=O)(=O)c3ccccc3)c2n1 ZINC000090548548 206297870 /nfs/dbraw/zinc/29/78/70/206297870.db2.gz JIBNWSAFACLAIB-UHFFFAOYSA-N 0 0 376.437 4.138 10 0 GIAERN CC(C)(C)c1ccc([C@@H]2OC(=O)c3cc(I)ccc32)o1 ZINC000090560854 206298933 /nfs/dbraw/zinc/29/89/33/206298933.db2.gz IJSQGVMHVQEPHW-CQSZACIVSA-N 0 0 382.197 4.442 10 0 GIAERN O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cnnc1)c1ccc(Cl)cc1 ZINC000026013695 206302057 /nfs/dbraw/zinc/30/20/57/206302057.db2.gz RZGGYANBKWXXOD-KRWDZBQOSA-N 0 0 396.661 4.009 10 0 GIAERN CC1(C)C[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)c(Cl)cc32)NC(=S)N1 ZINC000001065156 206348934 /nfs/dbraw/zinc/34/89/34/206348934.db2.gz UVYLWXKTTBQOBE-PXNSSMCTSA-N 0 0 388.920 4.411 10 0 GIAERN COc1cc(Br)c(CCC(=O)Nc2ccccc2F)cc1OC ZINC000001283945 206372412 /nfs/dbraw/zinc/37/24/12/206372412.db2.gz XWRFVRJIASYZKG-UHFFFAOYSA-N 0 0 382.229 4.177 10 0 GIAERN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=C1/SC(=S)N(CC)C1=O ZINC000001425606 206380271 /nfs/dbraw/zinc/38/02/71/206380271.db2.gz DMYROVPOKAMHLQ-BMRADRMJSA-N 0 0 398.553 4.382 10 0 GIAERN CCOC(=O)c1c(C)c(C(=O)OC(C)C)sc1NC(=O)c1cccc(F)c1 ZINC000001927531 206394441 /nfs/dbraw/zinc/39/44/41/206394441.db2.gz XINPVGNQYOWEMQ-UHFFFAOYSA-N 0 0 393.436 4.190 10 0 GIAERN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3N2)cc1 ZINC000004953113 206575962 /nfs/dbraw/zinc/57/59/62/206575962.db2.gz OSYQFMKIPFUJKI-HOCLYGCPSA-N 0 0 378.398 4.088 10 0 GIAERN CCNC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000006695119 206663188 /nfs/dbraw/zinc/66/31/88/206663188.db2.gz PCGXAHSJBYGZAR-SFHVURJKSA-N 0 0 385.895 4.373 10 0 GIAERN COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccsc1)CC2 ZINC000011933575 206844204 /nfs/dbraw/zinc/84/42/04/206844204.db2.gz RXXOCQATMZOGKQ-UHFFFAOYSA-N 0 0 392.480 4.208 10 0 GIAERN CC[C@@]1(CCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CCC(=O)N1 ZINC000012244051 206874803 /nfs/dbraw/zinc/87/48/03/206874803.db2.gz IEEKCKXSVPVDOL-FGZHOGPDSA-N 0 0 384.907 4.385 10 0 GIAERN O=C(/C=C/c1ccc2c(c1)OCCCO2)Nc1nc(-c2ccccn2)cs1 ZINC000014688904 207026541 /nfs/dbraw/zinc/02/65/41/207026541.db2.gz TZFIEYAAQXHARO-SOFGYWHQSA-N 0 0 379.441 4.018 10 0 GIAERN Cc1cc(C)n(Cc2ccc(C(=O)N3Cc4cc(C)ccc4O[C@H](C)C3)cc2)n1 ZINC000014974372 207037356 /nfs/dbraw/zinc/03/73/56/207037356.db2.gz QIAJCGRGKMLJFI-LJQANCHMSA-N 0 0 389.499 4.280 10 0 GIAERN Cc1ccc(CNc2nc(CN(C)[C@H](C)c3ccon3)nc3ccccc32)o1 ZINC000014997266 207039852 /nfs/dbraw/zinc/03/98/52/207039852.db2.gz FIHSDUULEIMLCT-OAHLLOKOSA-N 0 0 377.448 4.324 10 0 GIAERN COc1cc(OC)cc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 ZINC000020228112 207185001 /nfs/dbraw/zinc/18/50/01/207185001.db2.gz WETYEZSJEAHPMB-UHFFFAOYSA-N 0 0 387.486 4.100 10 0 GIAERN O=C(NCCCn1c2ncccc2nc1C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000021635532 207232679 /nfs/dbraw/zinc/23/26/79/207232679.db2.gz BASYNVOMYPCGTK-UHFFFAOYSA-N 0 0 397.788 4.315 10 0 GIAERN CCOC(=O)c1ccc(Nc2cc(C(=O)Nc3ccc(OC)cc3)ccn2)cc1 ZINC000021881872 207240521 /nfs/dbraw/zinc/24/05/21/207240521.db2.gz LMXUCFYLJPNAGD-UHFFFAOYSA-N 0 0 391.427 4.263 10 0 GIAERN COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000022008248 207245193 /nfs/dbraw/zinc/24/51/93/207245193.db2.gz RXHKMJKBJYEQLX-MRXNPFEDSA-N 0 0 389.492 4.096 10 0 in-vitro GIAERN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCC[C@H]4C)c3)n2)o1 ZINC000023324182 207273827 /nfs/dbraw/zinc/27/38/27/207273827.db2.gz QVMRTIGURXQAEX-OAHLLOKOSA-N 0 0 393.491 4.054 10 0 GIAERN CCCCc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccncc2)cc1 ZINC000027532145 207327869 /nfs/dbraw/zinc/32/78/69/207327869.db2.gz AWLIPPGSHWPMHO-UHFFFAOYSA-N 0 0 398.466 4.185 10 0 GIAERN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(F)cc1 ZINC000035684533 207499802 /nfs/dbraw/zinc/49/98/02/207499802.db2.gz PVFNCLVPVOGKQZ-INIZCTEOSA-N 0 0 398.825 4.173 10 0 GIAERN Nc1c(Nc2cccc(Br)c2)ncnc1Nc1cccnc1Cl ZINC000040797396 207610691 /nfs/dbraw/zinc/61/06/91/207610691.db2.gz VSXKQXXARYQPES-UHFFFAOYSA-N 0 0 391.660 4.357 10 0 GIAERN Nc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(N)cc5)o4)cc3)o2)cc1 ZINC000045316448 208085111 /nfs/dbraw/zinc/08/51/11/208085111.db2.gz KTDQRWMCUQLISY-UHFFFAOYSA-N 0 0 396.410 4.285 10 0 GIAERN CCOC(=O)C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 ZINC000091302142 208113479 /nfs/dbraw/zinc/11/34/79/208113479.db2.gz KJPMMYFUTMQSKY-INIZCTEOSA-N 0 0 389.492 4.276 10 0 GIAERN CC(=O)c1nc2ccccc2n1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095082722 208152118 /nfs/dbraw/zinc/15/21/18/208152118.db2.gz ORBZLFXZQVLJNP-UHFFFAOYSA-N 0 0 391.471 4.288 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(CCOc2ccc(Br)cn2)CC1 ZINC000095083751 208152220 /nfs/dbraw/zinc/15/22/20/208152220.db2.gz LTTSHJKQWVNBGS-UHFFFAOYSA-N 0 0 385.302 4.260 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2cc(Cl)ccc2Cl)C1 ZINC000095084702 208153137 /nfs/dbraw/zinc/15/31/37/208153137.db2.gz YRIODQYALSRJGE-GFCCVEGCSA-N 0 0 387.307 4.257 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000095086184 208155584 /nfs/dbraw/zinc/15/55/84/208155584.db2.gz VDKHCYXIOZJTHX-HNNXBMFYSA-N 0 0 387.307 4.399 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl ZINC000095086188 208155917 /nfs/dbraw/zinc/15/59/17/208155917.db2.gz XIALHDKUGWJPPT-HNNXBMFYSA-N 0 0 387.307 4.399 10 0 GIAERN COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000226338182 208473767 /nfs/dbraw/zinc/47/37/67/208473767.db2.gz VXXORBSFNZERQK-QPJJXVBHSA-N 0 0 375.787 4.202 10 0 GIAERN Cc1nn(Cc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c(C)c1Br ZINC000027970142 208926416 /nfs/dbraw/zinc/92/64/16/208926416.db2.gz GFQAVQSQEJUSKL-ZDUSSCGKSA-N 0 0 390.325 4.325 10 0 GIAERN Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1ccccc1F ZINC000028228910 208939435 /nfs/dbraw/zinc/93/94/35/208939435.db2.gz MPMHYJYMGXXAEV-UHFFFAOYSA-N 0 0 375.350 4.206 10 0 GIAERN O=C(Nc1nn(Cc2ccccc2F)cc1Br)c1ccc(F)cc1 ZINC000028573802 208952018 /nfs/dbraw/zinc/95/20/18/208952018.db2.gz GXBHIXGWMSMWPR-UHFFFAOYSA-N 0 0 392.203 4.224 10 0 GIAERN Cc1ccsc1C(=O)Nc1nn(Cc2ccccc2F)cc1Br ZINC000032610569 208989201 /nfs/dbraw/zinc/98/92/01/208989201.db2.gz MTPQEIYZDJTWHW-UHFFFAOYSA-N 0 0 394.269 4.455 10 0 GIAERN COC(=O)c1c2cnn(C(=O)OC(C)(C)C)c2cc(Cl)c1Br ZINC000299889512 209094030 /nfs/dbraw/zinc/09/40/30/209094030.db2.gz KKYCHKHTAYIMAC-UHFFFAOYSA-N 0 0 389.633 4.022 10 0 GIAERN COc1ccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C(C)C)cc1OC ZINC000040340363 209093195 /nfs/dbraw/zinc/09/31/95/209093195.db2.gz QLXLYHUDHIAVCG-JOCHJYFZSA-N 0 0 391.471 4.356 10 0 GIAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1Br ZINC000016087461 221357592 /nfs/dbraw/zinc/35/75/92/221357592.db2.gz BHLXDELAEDXASD-MRVPVSSYSA-N 0 0 380.716 4.204 10 0 GIAERN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Br)c(Cl)c2)C1 ZINC000095643234 222359981 /nfs/dbraw/zinc/35/99/81/222359981.db2.gz TWEHMTNLUYTUQU-CYBMUJFWSA-N 0 0 376.678 4.411 10 0 GIAERN CCCN1c2cccnc2S[C@H](CC(=O)N[C@@H](CC)c2cccs2)C1=O ZINC000065172186 535005295 /nfs/dbraw/zinc/00/52/95/535005295.db2.gz JSMPCWUCAGUUDQ-XJKSGUPXSA-N 0 0 389.546 4.018 10 0 GIAERN CC[C@H](C(=O)Nc1ccc2c(c1)CN(C(C)C)C(=O)[C@@H](C)O2)c1ccccc1 ZINC000035873484 570469236 /nfs/dbraw/zinc/46/92/36/570469236.db2.gz DMEQFJAJPCRVKB-UZLBHIALSA-N 0 0 380.488 4.337 10 0 GIAERN COc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)Nc2ccccc2OC)c1 ZINC000034796585 570544354 /nfs/dbraw/zinc/54/43/54/570544354.db2.gz RCZUGUKQOLTELU-UHFFFAOYSA-N 0 0 382.420 4.055 10 0 GIAERN CCOCCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000006915992 570703039 /nfs/dbraw/zinc/70/30/39/570703039.db2.gz SYBHWRCUUVXTIF-UHFFFAOYSA-N 0 0 395.503 4.218 10 0 GIAERN O=C(NCc1cccs1)[C@H]1CN(C(=O)c2ccccc2)CC12CCCCC2 ZINC000065266075 570769313 /nfs/dbraw/zinc/76/93/13/570769313.db2.gz AZKSQECATZZGJO-LJQANCHMSA-N 0 0 382.529 4.087 10 0 GIAERN O=C(Nc1ccc2c(c1)C(N1CCOCC1)=Nc1ccccc1O2)c1ccco1 ZINC000103269089 570880598 /nfs/dbraw/zinc/88/05/98/570880598.db2.gz PSILDDYUDSONKS-UHFFFAOYSA-N 0 0 389.411 4.048 10 0 GIAERN CC[C@H](C)NC(=O)c1ccc(CN2C(=O)COc3ccc(C(C)(C)C)cc32)cc1 ZINC000004507687 570896548 /nfs/dbraw/zinc/89/65/48/570896548.db2.gz OBIMYOGNIHPXSI-INIZCTEOSA-N 0 0 394.515 4.438 10 0 GIAERN C[C@H](NC(=O)c1cccc2ccccc21)c1nc2cc(Cl)ccc2c(=O)n1C ZINC000000738293 570950044 /nfs/dbraw/zinc/95/00/44/570950044.db2.gz NXVMIZOKRJUJKP-ZDUSSCGKSA-N 0 0 391.858 4.231 10 0 GIAERN CSCC[C@@H](NC(=O)c1cccc2c1ccn2C)c1nc2ccccc2n1C ZINC000334161700 206255577 /nfs/dbraw/zinc/25/55/77/206255577.db2.gz HARXGKYHDYRTOZ-GOSISDBHSA-N 0 0 392.528 4.289 10 0 GIAERN CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C ZINC000226277100 206258748 /nfs/dbraw/zinc/25/87/48/206258748.db2.gz XPHMHLUFVIWBDY-ZDUSSCGKSA-N 0 0 386.414 4.157 10 0 GIAERN CC1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2Br)CC1 ZINC000226275666 206258921 /nfs/dbraw/zinc/25/89/21/206258921.db2.gz MFRJBQTWZUJOSE-UHFFFAOYSA-N 0 0 379.220 4.211 10 0 GIAERN COc1cc(OC)cc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)c1 ZINC000226272254 206259241 /nfs/dbraw/zinc/25/92/41/206259241.db2.gz ZPAAXGGYPHOJGY-UHFFFAOYSA-N 0 0 380.322 4.037 10 0 GIAERN COc1ccc2c(c1)nc(Cl)nc2NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000261507574 206287398 /nfs/dbraw/zinc/28/73/98/206287398.db2.gz JYXAUOLQARRJTF-UHFFFAOYSA-N 0 0 392.887 4.103 10 0 GIAERN CN(C)c1cccc(C(=O)N2CCO[C@H](c3cc(Cl)cc(Cl)c3)C2)c1 ZINC000090613794 206298593 /nfs/dbraw/zinc/29/85/93/206298593.db2.gz BSPYQTVRFHTWBT-SFHVURJKSA-N 0 0 379.287 4.273 10 0 GIAERN NC(=O)c1ccc(-c2ccnc3[nH]cc(C(=O)c4ccc(Cl)cc4)c32)cc1 ZINC000090486399 206298622 /nfs/dbraw/zinc/29/86/22/206298622.db2.gz YHYFXJIHKSLEFY-UHFFFAOYSA-N 0 0 375.815 4.213 10 0 GIAERN Cc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000028710924 206303225 /nfs/dbraw/zinc/30/32/25/206303225.db2.gz KLLQGMBEHMCOOA-UHFFFAOYSA-N 0 0 389.480 4.162 10 0 GIAERN O=C1O[C@H](c2ccc(Cl)cc2)C[C@@H]1N1CCN(c2cccc(Cl)c2)CC1 ZINC000033892454 206305656 /nfs/dbraw/zinc/30/56/56/206305656.db2.gz SALCPWWMPIUGMH-OALUTQOASA-N 0 0 391.298 4.172 10 0 GIAERN C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(C(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000000907904 206332777 /nfs/dbraw/zinc/33/27/77/206332777.db2.gz GVZFYPBZTPCWFV-IAGOWNOFSA-N 0 0 397.478 4.264 10 0 GIAERN COc1cc(Br)c(CCC(=O)Nc2nc(C)c(C)s2)cc1OC ZINC000001284032 206371865 /nfs/dbraw/zinc/37/18/65/206371865.db2.gz WVFRWJKNOGSIRS-UHFFFAOYSA-N 0 0 399.310 4.111 10 0 GIAERN COC(=O)Cn1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000002303766 206408181 /nfs/dbraw/zinc/40/81/81/206408181.db2.gz CUKFOUZRERNXIL-WOJGMQOQSA-N 0 0 392.436 4.055 10 0 GIAERN CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)cc1 ZINC000005125136 206592646 /nfs/dbraw/zinc/59/26/46/206592646.db2.gz ZHAVZSLGALCHPM-ZBEGNZNMSA-N 0 0 395.297 4.056 10 0 GIAERN CC1=C(C(=O)Nc2ccc(Cc3ccncc3)cc2)C2(CCCCC2)OC1=O ZINC000006746385 206669628 /nfs/dbraw/zinc/66/96/28/206669628.db2.gz IZQKGIVSHSUGGO-UHFFFAOYSA-N 0 0 376.456 4.187 10 0 GIAERN CC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](CSCc1ccccc1C)N2 ZINC000006920217 206694373 /nfs/dbraw/zinc/69/43/73/206694373.db2.gz SDSHXLCTCMYUEE-MGPUTAFESA-N 0 0 397.544 4.189 10 0 GIAERN CC(=O)c1cccc(NC(=O)N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c1 ZINC000011998033 206847976 /nfs/dbraw/zinc/84/79/76/206847976.db2.gz YFQRYFJWUGNBAK-OAHLLOKOSA-N 0 0 386.398 4.294 10 0 GIAERN O=C(CCCc1cccs1)N1CCC[C@H](C(=O)c2cc(F)ccc2F)C1 ZINC000012583055 206915224 /nfs/dbraw/zinc/91/52/24/206915224.db2.gz AOLFPUHKRUGKNS-AWEZNQCLSA-N 0 0 377.456 4.471 10 0 GIAERN COc1cccc(C(=O)NC2(C(=O)c3ccccc3OC)CCCCC2)c1C ZINC000013490027 206976672 /nfs/dbraw/zinc/97/66/72/206976672.db2.gz HLWLRCRKQGQDSK-UHFFFAOYSA-N 0 0 381.472 4.328 10 0 GIAERN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)N1CCC[C@H](c2ccccc2)C1 ZINC000015004314 207040540 /nfs/dbraw/zinc/04/05/40/207040540.db2.gz TZJLGEAICALBGO-WMZHIEFXSA-N 0 0 396.556 4.126 10 0 GIAERN O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCc2ccccc2C1 ZINC000015077274 207046662 /nfs/dbraw/zinc/04/66/62/207046662.db2.gz XKFXBMISNVPLCU-UHFFFAOYSA-N 0 0 385.423 4.000 10 0 GIAERN COc1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc(OC)c1O ZINC000015066079 207043020 /nfs/dbraw/zinc/04/30/20/207043020.db2.gz NFMUYGRNMUBNMY-INIZCTEOSA-N 0 0 389.879 4.158 10 0 GIAERN COc1cccc(-c2nc(CN(C)Cc3nc4ccccc4o3)c(C)o2)c1OC ZINC000019758733 207159923 /nfs/dbraw/zinc/15/99/23/207159923.db2.gz VKTNKMQPDMFUKY-UHFFFAOYSA-N 0 0 393.443 4.440 10 0 GIAERN Cc1cc(OCC(=O)N(C)Cc2ccccc2)c(C)c(C)c1Br ZINC000020344511 207187766 /nfs/dbraw/zinc/18/77/66/207187766.db2.gz WAYVGGOGRCOVQW-UHFFFAOYSA-N 0 0 376.294 4.412 10 0 GIAERN Cc1cc(C)cc(N2C[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)c1 ZINC000020373272 207190436 /nfs/dbraw/zinc/19/04/36/207190436.db2.gz LWRSCGKVJPUECS-JOCHJYFZSA-N 0 0 390.527 4.138 10 0 GIAERN O=S(=O)(Cc1ccccc1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000020463459 207196568 /nfs/dbraw/zinc/19/65/68/207196568.db2.gz WJFFKIFAAUQRTB-UHFFFAOYSA-N 0 0 399.434 4.079 10 0 GIAERN CCc1cccc(Nc2c3[nH]cccc-3c(=O)n2-c2cc(OC)ccc2OC)c1 ZINC000021105718 207226267 /nfs/dbraw/zinc/22/62/67/207226267.db2.gz QMBQCFSQHJBKII-JOCHJYFZSA-N 0 0 389.455 4.432 10 0 GIAERN CN(C)c1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccnc2)c1 ZINC000021715630 207235527 /nfs/dbraw/zinc/23/55/27/207235527.db2.gz JGWYWJBNCBZBHD-DEOSSOPVSA-N 0 0 396.494 4.417 10 0 GIAERN O=C(NC1CCCCCC1)C1CCN(c2ccnc(-c3cccc(F)c3)n2)CC1 ZINC000021886741 207240834 /nfs/dbraw/zinc/24/08/34/207240834.db2.gz JKDCJKMBUMPAAW-UHFFFAOYSA-N 0 0 396.510 4.338 10 0 GIAERN C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)N[C@@H](C)c1ccccc1 ZINC000022055833 207246970 /nfs/dbraw/zinc/24/69/70/207246970.db2.gz ZZLGFAGQTKVAIV-QWHCGFSZSA-N 0 0 382.514 4.302 10 0 GIAERN CCS(=O)(=O)Nc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1 ZINC000038003483 207249568 /nfs/dbraw/zinc/24/95/68/207249568.db2.gz GPPQZOSMSALQBE-JTQLQIEISA-N 0 0 389.340 4.445 10 0 GIAERN C[C@@H](Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(Br)s1 ZINC000038002826 207249865 /nfs/dbraw/zinc/24/98/65/207249865.db2.gz XQSUEUQPNFZWGP-MRVPVSSYSA-N 0 0 378.288 4.226 10 0 GIAERN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCCCCCC1 ZINC000022324285 207251730 /nfs/dbraw/zinc/25/17/30/207251730.db2.gz UYKXGOTUZHGWJA-HNNXBMFYSA-N 0 0 386.439 4.301 10 0 GIAERN COc1cccc(CCC(=O)N2CCC(n3c(C)nc4ccc(C)cc43)CC2)c1 ZINC000022666540 207259947 /nfs/dbraw/zinc/25/99/47/207259947.db2.gz QRWINGNYIBRSIL-UHFFFAOYSA-N 0 0 391.515 4.458 10 0 GIAERN O=C(c1ccc(Cl)cc1)N1CCN2Cc3ccccc3-n3cccc3[C@H]2C1 ZINC000027521865 207325252 /nfs/dbraw/zinc/32/52/52/207325252.db2.gz LLBNRPPLFILYDY-OAQYLSRUSA-N 0 0 377.875 4.143 10 0 GIAERN CCn1c(=O)c(Nc2cccc(C)c2C)nnc1SCc1ccc(F)cc1 ZINC000028537514 207343698 /nfs/dbraw/zinc/34/36/98/207343698.db2.gz SXEHAEFPBQVVHB-UHFFFAOYSA-N 0 0 384.480 4.450 10 0 GIAERN Cn1c(=O)c(Nc2ccccc2Cl)nnc1SCc1ccc(F)cc1 ZINC000028538394 207343427 /nfs/dbraw/zinc/34/34/27/207343427.db2.gz VZVOLXYMSNGZRG-UHFFFAOYSA-N 0 0 376.844 4.004 10 0 GIAERN CCn1c(=O)c(Nc2cccc(Cl)c2)nnc1SCc1ccc(F)cc1 ZINC000028536927 207343527 /nfs/dbraw/zinc/34/35/27/207343527.db2.gz OVQZCVCILVVWJW-UHFFFAOYSA-N 0 0 390.871 4.487 10 0 GIAERN Cc1c(Cl)cccc1Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000032603948 207399045 /nfs/dbraw/zinc/39/90/45/207399045.db2.gz GDKRALZIUBGXKI-UHFFFAOYSA-N 0 0 396.882 4.157 10 0 GIAERN COc1ccc(Cc2nnc(NC(=O)/C=C\c3ccc(Cl)cc3)s2)cc1 ZINC000033332523 207456124 /nfs/dbraw/zinc/45/61/24/207456124.db2.gz LGVIIKKFHKEQBC-WDZFZDKYSA-N 0 0 385.876 4.443 10 0 GIAERN O=C(/C=C\c1cc2c(cc1Br)OCO2)Oc1ccc(F)cc1F ZINC000034389173 207467266 /nfs/dbraw/zinc/46/72/66/207467266.db2.gz YFFOWADVYOZXBS-RJRFIUFISA-N 0 0 383.144 4.075 10 0 GIAERN C=CC(=O)NCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C ZINC000035143654 207484884 /nfs/dbraw/zinc/48/48/84/207484884.db2.gz MTCWIBOZDDYWGY-UHFFFAOYSA-N 0 0 377.488 4.349 10 0 GIAERN Cc1c2c(c(C)c(C)c1N)O[C@](C)(Cn1ccc(-c3cccc4c3NCC4)n1)C2 ZINC000089210151 208102604 /nfs/dbraw/zinc/10/26/04/208102604.db2.gz ZYJJADWORJSJIZ-DEOSSOPVSA-N 0 0 388.515 4.419 10 0 GIAERN CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2nc1Cl ZINC000095075169 208151732 /nfs/dbraw/zinc/15/17/32/208151732.db2.gz VRYFHXWXYVWVGW-CQSZACIVSA-N 0 0 390.915 4.367 10 0 GIAERN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2nc1Cl ZINC000095075170 208151977 /nfs/dbraw/zinc/15/19/77/208151977.db2.gz VRYFHXWXYVWVGW-AWEZNQCLSA-N 0 0 390.915 4.367 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N(Cc2cccc(Cl)c2)C2CC2)C1 ZINC000095084690 208152244 /nfs/dbraw/zinc/15/22/44/208152244.db2.gz OXUUSSSGQACIDP-MRXNPFEDSA-N 0 0 392.927 4.478 10 0 GIAERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2nc1NC1CC1 ZINC000095075317 208152608 /nfs/dbraw/zinc/15/26/08/208152608.db2.gz DCLWPNVDKMRSGV-MRXNPFEDSA-N 0 0 397.523 4.040 10 0 GIAERN O[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000095078244 208153670 /nfs/dbraw/zinc/15/36/70/208153670.db2.gz IOCZAWZDCSPKGW-CQSZACIVSA-N 0 0 376.287 4.353 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1ccc(Br)cn1 ZINC000095086324 208154882 /nfs/dbraw/zinc/15/48/82/208154882.db2.gz GEYWWMZMAPAZFA-CQSZACIVSA-N 0 0 385.302 4.403 10 0 GIAERN FC(F)(F)c1cccc(-c2nnc3ccc(I)cn32)c1 ZINC000098180278 208369841 /nfs/dbraw/zinc/36/98/41/208369841.db2.gz OEVHIJHCNXVNBD-UHFFFAOYSA-N 0 0 389.118 4.020 10 0 GIAERN COc1ccc(OC)c([C@H]2CC(c3ccc(C(C)C)cc3)=Nc3ncnn32)c1 ZINC000102800285 208411034 /nfs/dbraw/zinc/41/10/34/208411034.db2.gz QCNYNDDTVZYAIJ-HXUWFJFHSA-N 0 0 376.460 4.475 10 0 GIAERN COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1ccccc1Cl ZINC000226336153 208472238 /nfs/dbraw/zinc/47/22/38/208472238.db2.gz RBQYMMMKLRWLAI-VOTSOKGWSA-N 0 0 396.668 4.189 10 0 GIAERN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2[nH]c(=NN)sc2c1 ZINC000226312775 208472945 /nfs/dbraw/zinc/47/29/45/208472945.db2.gz LOYKGLUJHQFVKX-UHFFFAOYSA-N 0 0 397.287 4.215 10 0 GIAERN Cc1nn(Cc2cccc(C(=O)Nc3nc4ccccc4n3C)c2)c(C)c1Cl ZINC000028236409 208943043 /nfs/dbraw/zinc/94/30/43/208943043.db2.gz FATYZVOEZJFHCQ-UHFFFAOYSA-N 0 0 393.878 4.341 10 0 GIAERN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccncc1 ZINC000032610211 208989257 /nfs/dbraw/zinc/98/92/57/208989257.db2.gz ATTBWSYJCNNCTN-UHFFFAOYSA-N 0 0 390.365 4.203 10 0 GIAERN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCCOc2ccccc2)cc1 ZINC000041082762 209095221 /nfs/dbraw/zinc/09/52/21/209095221.db2.gz SYQXMWFEGHQYTL-XLNRJJMWSA-N 0 0 385.419 4.489 10 0 GIAERN Cc1ccc(C)c(OCCCOc2ccccc2/C=C2/SC(=N)NC2=O)c1 ZINC000041077996 209094504 /nfs/dbraw/zinc/09/45/04/209094504.db2.gz IQPLNQCXFQGZED-CPNJWEJPSA-N 0 0 382.485 4.290 10 0 GIAERN Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)c(Br)c1 ZINC000040296252 209092475 /nfs/dbraw/zinc/09/24/75/209092475.db2.gz CDUGGFNDKOVORA-UHFFFAOYSA-N 0 0 384.071 4.355 10 0 GIAERN Cn1c2cn(-c3ccccc3O)c(-c3ccccc3)c2c(=O)n1-c1ccccc1 ZINC000015858694 221348875 /nfs/dbraw/zinc/34/88/75/221348875.db2.gz OLJQXELURWVMDH-UHFFFAOYSA-N 0 0 381.435 4.493 10 0 GIAERN Cc1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000051316413 132439294 /nfs/dbraw/zinc/43/92/94/132439294.db2.gz TUGSATSITOMOKX-UHFFFAOYSA-N 0 0 398.768 4.031 10 0 GIAERN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071762537 136166458 /nfs/dbraw/zinc/16/64/58/136166458.db2.gz SORDZWUONBOIQA-KRWDZBQOSA-N 0 0 382.467 4.309 10 0 GIAERN c1ccc(Nc2nc(N3CCN(c4ccccn4)CC3)nc3ccccc32)cc1 ZINC000072260393 136167848 /nfs/dbraw/zinc/16/78/48/136167848.db2.gz MOHMWXJNOVAPBX-UHFFFAOYSA-N 0 0 382.471 4.095 10 0 GIAERN Cc1cccc(-c2nc(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)no2)c1 ZINC000065076739 518190158 /nfs/dbraw/zinc/19/01/58/518190158.db2.gz NVUBXTQAIWLFGL-UHFFFAOYSA-N 0 0 383.398 4.343 10 0 GIAERN COc1cccc(-c2cc(=O)[nH]c(NCc3cccc(C(F)(F)F)c3)n2)c1 ZINC000057341722 525697817 /nfs/dbraw/zinc/69/78/17/525697817.db2.gz ANFMJYHFYVWNJX-UHFFFAOYSA-N 0 0 375.350 4.076 10 0 GIAERN CSc1nc(C)c(C(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000033872261 526211068 /nfs/dbraw/zinc/21/10/68/526211068.db2.gz VOBCGQVMIKKBSD-UHFFFAOYSA-N 0 0 395.981 4.222 10 0 GIAERN CC(=O)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000033831305 560088553 /nfs/dbraw/zinc/08/85/53/560088553.db2.gz CVAJBQDXBZONMK-MQGJPIDWSA-N 0 0 376.493 4.071 10 0 biogenic,in-vitro GIAERN O=C(/C=C/c1ccc(F)cc1)N1CCC2(C[C@@H]2C(=O)Nc2ccccc2)CC1 ZINC000012245640 570277290 /nfs/dbraw/zinc/27/72/90/570277290.db2.gz MBGODJKLSYUGFB-OJLWIZQOSA-N 0 0 378.447 4.106 10 0 GIAERN O=C(C1CC1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006695358 570538618 /nfs/dbraw/zinc/53/86/18/570538618.db2.gz KVERXMUEVIJPDL-LJQANCHMSA-N 0 0 386.854 4.411 10 0 GIAERN CCCn1c(CCC(=O)Nc2ccc(Br)cc2)nc2cccnc21 ZINC000006737601 570560039 /nfs/dbraw/zinc/56/00/39/570560039.db2.gz DSMHXUMKKWLNTF-UHFFFAOYSA-N 0 0 387.281 4.175 10 0 GIAERN COc1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccccc2)c1 ZINC000032986943 570574271 /nfs/dbraw/zinc/57/42/71/570574271.db2.gz BVJAFGBDUJAELN-JOCHJYFZSA-N 0 0 394.496 4.053 10 0 GIAERN COc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(O)c2)cc1OC ZINC000036348706 570630924 /nfs/dbraw/zinc/63/09/24/570630924.db2.gz HULMPDWXCDUAGN-QHCPKHFHSA-N 0 0 378.472 4.206 10 0 GIAERN CCN(C[C@H]1Cc2ccccc2O1)C(=S)Nc1ccc(Br)cc1 ZINC000005568419 570645861 /nfs/dbraw/zinc/64/58/61/570645861.db2.gz OVQRSRYBOWYGGR-MRXNPFEDSA-N 0 0 391.334 4.472 10 0 GIAERN COc1ccc(-c2nc3cc(-n4cnnc4)cc(C)c3o2)cc1Br ZINC000073639502 570664337 /nfs/dbraw/zinc/66/43/37/570664337.db2.gz NOUORUWHILZAER-UHFFFAOYSA-N 0 0 385.221 4.155 10 0 GIAERN COc1cccc(Oc2ncc(-c3cccc(C(=O)NC(C)(C)C)c3)cn2)c1 ZINC000065057949 570666510 /nfs/dbraw/zinc/66/65/10/570666510.db2.gz QHSZKWRFVQCDCW-UHFFFAOYSA-N 0 0 377.444 4.473 10 0 GIAERN CC(C)Cn1c(C[C@@H]2CCN(C(=O)c3cc(F)ccc3F)C2)nc2cccnc21 ZINC000065292619 570786103 /nfs/dbraw/zinc/78/61/03/570786103.db2.gz RSCDTHILTXDARM-HNNXBMFYSA-N 0 0 398.457 4.070 10 0 GIAERN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NC1CCCCCC1)CO2)c1cccs1 ZINC000065082312 570813329 /nfs/dbraw/zinc/81/33/29/570813329.db2.gz OULDEFGPGPAZNQ-MRXNPFEDSA-N 0 0 398.528 4.391 10 0 GIAERN CCc1[nH]nc(I)c1-c1cccc(Br)c1 ZINC000675075891 570910049 /nfs/dbraw/zinc/91/00/49/570910049.db2.gz GJCSERZNHFNPCC-UHFFFAOYSA-N 0 0 377.023 4.006 10 0 GIAERN C[C@@H](NC(=O)c1cccc2ccccc21)c1nc2cc(Cl)ccc2c(=O)n1C ZINC000000738294 570949937 /nfs/dbraw/zinc/94/99/37/570949937.db2.gz NXVMIZOKRJUJKP-CYBMUJFWSA-N 0 0 391.858 4.231 10 0 GIAERN CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1cccc(Cl)c1 ZINC000012039062 570956542 /nfs/dbraw/zinc/95/65/42/570956542.db2.gz ARZQXUIAYUPMGP-MOPGFXCFSA-N 0 0 392.927 4.303 10 0 GIAERN Cn1nc(-c2ccccc2)c(CCC(=O)NCC2CC2)c1Oc1ccccc1F ZINC000037546685 571029970 /nfs/dbraw/zinc/02/99/70/571029970.db2.gz FKEZPZQMUKNUGJ-UHFFFAOYSA-N 0 0 393.462 4.477 10 0 GIAERN Nc1c(C(=O)c2cccc(-c3cccnc3)c2)cnn1-c1ccc(F)cc1F ZINC000013683060 581098483 /nfs/dbraw/zinc/09/84/83/581098483.db2.gz DGTYVNDZYOVKCN-UHFFFAOYSA-N 0 0 376.366 4.026 10 0 GIAERN Cc1ccc(COc2c(Cl)cc(/C=C\C(N)=O)cc2Br)cc1 ZINC000409416138 231204479 /nfs/dbraw/zinc/20/44/79/231204479.db2.gz MWCWSOHZWWIYKY-SREVYHEPSA-N 0 0 380.669 4.488 10 0 GIAERN C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000007305302 209131472 /nfs/dbraw/zinc/13/14/72/209131472.db2.gz MWDDVGIFLXNLFY-QMMMGPOBSA-N 0 0 380.716 4.204 10 0 GIAERN COc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCS2)cc1 ZINC000026506078 206253999 /nfs/dbraw/zinc/25/39/99/206253999.db2.gz DQNZMCRHWCCERT-UHFFFAOYSA-N 0 0 392.427 4.089 10 0 GIAERN Cc1ccc(NC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)cc1C ZINC000032647201 206256563 /nfs/dbraw/zinc/25/65/63/206256563.db2.gz JWXMJLAWMBKKOD-UHFFFAOYSA-N 0 0 397.478 4.243 10 0 GIAERN CCN(CC)c1ccc(NC(=O)c2ccc(Br)c(N)c2)c(C)c1 ZINC000226272376 206259161 /nfs/dbraw/zinc/25/91/61/206259161.db2.gz VRVHDZRNOBBVAA-UHFFFAOYSA-N 0 0 376.298 4.438 10 0 GIAERN COc1ccc2nc(Cl)nc(NC3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000261508725 206287819 /nfs/dbraw/zinc/28/78/19/206287819.db2.gz WFNVXJUHVLDWHL-UHFFFAOYSA-N 0 0 392.887 4.103 10 0 GIAERN CC(C)c1nc(CO)n(C[C@@H](C)O)c1Sc1cc(Cl)cc(Cl)c1 ZINC000005882311 206293424 /nfs/dbraw/zinc/29/34/24/206293424.db2.gz KRFKEBNRRXEWFY-SNVBAGLBSA-N 0 0 375.321 4.338 10 0 GIAERN O=C1NC(=O)[C@H](Cc2ccc3oc(Cc4ccc5ccccc5c4)nc3c2)S1 ZINC000003646224 206293649 /nfs/dbraw/zinc/29/36/49/206293649.db2.gz FQCUYGFIIAZMLU-IBGZPJMESA-N 0 0 388.448 4.466 10 0 GIAERN NC(=O)c1cccc(-c2ccnc3[nH]cc(C(=O)c4ccc(Cl)cc4)c32)c1 ZINC000090486402 206298394 /nfs/dbraw/zinc/29/83/94/206298394.db2.gz OWNCGWILMDDHJL-UHFFFAOYSA-N 0 0 375.815 4.213 10 0 GIAERN O=C(c1ccccc1Cl)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026010180 206302146 /nfs/dbraw/zinc/30/21/46/206302146.db2.gz CUBNONXGJLEYRB-KRWDZBQOSA-N 0 0 396.661 4.009 10 0 GIAERN NC(=O)c1cccc(-c2cncc(NCc3cccc(OC(F)(F)F)c3)c2)c1 ZINC000035950879 206304735 /nfs/dbraw/zinc/30/47/35/206304735.db2.gz YPHLQUGESJJZTA-UHFFFAOYSA-N 0 0 387.361 4.358 10 0 GIAERN COc1ccc([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000034524839 206305366 /nfs/dbraw/zinc/30/53/66/206305366.db2.gz WMJUBLFKLAMLHS-FCHUYYIVSA-N 0 0 375.424 4.239 10 0 GIAERN C[C@H]1Cc2ccccc2N1C(=O)c1cccc(C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000000907905 206333529 /nfs/dbraw/zinc/33/35/29/206333529.db2.gz GVZFYPBZTPCWFV-IRXDYDNUSA-N 0 0 397.478 4.264 10 0 GIAERN CCCCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000001925836 206394115 /nfs/dbraw/zinc/39/41/15/206394115.db2.gz OKZGTCNITYDMHS-AWNIVKPZSA-N 0 0 380.488 4.354 10 0 GIAERN COc1cc(C(=O)Nc2ccc(C)cc2)c(Br)c(OC)c1OC ZINC000005751976 206628307 /nfs/dbraw/zinc/62/83/07/206628307.db2.gz NVEILLOYASNJKW-UHFFFAOYSA-N 0 0 380.238 4.036 10 0 GIAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000010489705 206814338 /nfs/dbraw/zinc/81/43/38/206814338.db2.gz MHOPPANRCBFGTM-MRXNPFEDSA-N 0 0 384.785 4.150 10 0 GIAERN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nc(C)cs2)nc1 ZINC000014212735 207016277 /nfs/dbraw/zinc/01/62/77/207016277.db2.gz JKJARJAZOFJORH-UHFFFAOYSA-N 0 0 391.543 4.213 10 0 GIAERN O=C(c1ccc2c(c1)OCCO2)N1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000014888682 207031049 /nfs/dbraw/zinc/03/10/49/207031049.db2.gz MECLDTUGQFTZNY-QHCPKHFHSA-N 0 0 387.435 4.234 10 0 GIAERN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCCC[C@@H]4C)c3C)n2)c(C)s1 ZINC000014955927 207033605 /nfs/dbraw/zinc/03/36/05/207033605.db2.gz URHLDYAWDYMQCE-ZDUSSCGKSA-N 0 0 395.532 4.331 10 0 GIAERN Cc1cc(C)n(Cc2ccc(C(=O)N3Cc4cc(C)ccc4O[C@@H](C)C3)cc2)n1 ZINC000014974374 207036102 /nfs/dbraw/zinc/03/61/02/207036102.db2.gz QIAJCGRGKMLJFI-IBGZPJMESA-N 0 0 389.499 4.280 10 0 GIAERN CSc1ccc(CN2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)cc1 ZINC000014972355 207037133 /nfs/dbraw/zinc/03/71/33/207037133.db2.gz GUMSZNIQXLFGLN-HSZRJFAPSA-N 0 0 392.524 4.280 10 0 GIAERN COc1ccc(-c2noc(CN(C)Cc3ccc(Cl)s3)n2)cc1OC ZINC000015294290 207049098 /nfs/dbraw/zinc/04/90/98/207049098.db2.gz WVGKFZKKCPBTFQ-UHFFFAOYSA-N 0 0 379.869 4.101 10 0 GIAERN CCOc1ccc([C@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2CCCOC)cc1 ZINC000015920595 207067420 /nfs/dbraw/zinc/06/74/20/207067420.db2.gz KWSKQNGJQGRNLE-QFIPXVFZSA-N 0 0 391.471 4.057 10 0 GIAERN CCc1ccccc1N1C[C@H](c2nnc(NC(=O)C3CCCCC3)s2)CC1=O ZINC000017945925 207091512 /nfs/dbraw/zinc/09/15/12/207091512.db2.gz WMODXBXMOMRJRV-MRXNPFEDSA-N 0 0 398.532 4.140 10 0 GIAERN CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CCN(Cc1ccccc1)C2 ZINC000019942048 207172162 /nfs/dbraw/zinc/17/21/62/207172162.db2.gz HOTAPYPAXJNVKY-UHFFFAOYSA-N 0 0 386.517 4.078 10 0 GIAERN Cc1nc(CN2CCN(Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cs1 ZINC000020205894 207181740 /nfs/dbraw/zinc/18/17/40/207181740.db2.gz DMICADMJVNTEAL-UHFFFAOYSA-N 0 0 382.533 4.041 10 0 GIAERN CC(C)C[NH+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)CC(C)C ZINC000020342148 207187792 /nfs/dbraw/zinc/18/77/92/207187792.db2.gz GOUPMSNBTDTIAT-AWEZNQCLSA-N 0 0 380.554 4.124 10 0 GIAERN C[C@H](Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Br)s1 ZINC000038002737 207249944 /nfs/dbraw/zinc/24/99/44/207249944.db2.gz ZMXOYPYFGZLAGF-QMMMGPOBSA-N 0 0 384.690 4.313 10 0 GIAERN COc1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)OCO4)s2)c(OC)c1 ZINC000023329979 207272993 /nfs/dbraw/zinc/27/29/93/207272993.db2.gz VLXCKDVUBFSMSV-UHFFFAOYSA-N 0 0 397.452 4.091 10 0 GIAERN COC(=O)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000023329929 207273406 /nfs/dbraw/zinc/27/34/06/207273406.db2.gz ALNSKCBUDIRVHT-QFIPXVFZSA-N 0 0 389.426 4.400 10 0 GIAERN CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)c1cn(CCCc3ccccc3)nn1)=CC2 ZINC000012204257 207285615 /nfs/dbraw/zinc/28/56/15/207285615.db2.gz SUNOBYNJILBBGU-PMACEKPBSA-N 0 0 378.520 4.023 10 0 GIAERN CC(C)n1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccccc2c1=O ZINC000024173880 207288570 /nfs/dbraw/zinc/28/85/70/207288570.db2.gz MMDLRKZBDRQTHK-JKSUJKDBSA-N 0 0 395.528 4.335 10 0 GIAERN CCOC(=O)c1ccc(OCc2ccc(I)cc2)cc1 ZINC000038231339 207304257 /nfs/dbraw/zinc/30/42/57/207304257.db2.gz ZDTHACLHPVKVTR-UHFFFAOYSA-N 0 0 382.197 4.047 10 0 GIAERN O=C1CN(Cc2ccc(Cl)cc2)C[C@H]2c3cccn3-c3ccccc3CN12 ZINC000027522930 207325265 /nfs/dbraw/zinc/32/52/65/207325265.db2.gz NTFVRGIIXIQBFW-NRFANRHFSA-N 0 0 377.875 4.030 10 0 GIAERN COc1ccc(CN2CCC(Nc3n[nH]c4ccc(Cl)cc43)CC2)c(F)c1 ZINC000028529507 207344181 /nfs/dbraw/zinc/34/41/81/207344181.db2.gz PXIJXXJEUFOZGZ-UHFFFAOYSA-N 0 0 388.874 4.441 10 0 GIAERN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(C(F)(F)F)c1 ZINC000031571430 207380980 /nfs/dbraw/zinc/38/09/80/207380980.db2.gz VWCSDMYARWZKBG-UHFFFAOYSA-N 0 0 397.393 4.066 10 0 GIAERN CCOC(=O)CCC(=O)N1CCS[C@H]1c1ccccc1OCc1ccccc1 ZINC000035816723 207502466 /nfs/dbraw/zinc/50/24/66/207502466.db2.gz CAUKFHNYRXXORQ-QFIPXVFZSA-N 0 0 399.512 4.183 10 0 GIAERN Clc1ccc(Br)cc1-c1nc2ccc(-n3cnnc3)cc2o1 ZINC000073640079 207552110 /nfs/dbraw/zinc/55/21/10/207552110.db2.gz YNJILNZDTVQTTI-UHFFFAOYSA-N 0 0 375.613 4.491 10 0 GIAERN Cc1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4)sc3C2)c(C)c1 ZINC000064660486 207805491 /nfs/dbraw/zinc/80/54/91/207805491.db2.gz MLECJRFWQCRNGJ-UHFFFAOYSA-N 0 0 384.526 4.174 10 0 GIAERN COCCOc1cc(NC(=O)OC(C)(C)C)c(N)cc1-c1ccc(F)cc1 ZINC000089194877 208102531 /nfs/dbraw/zinc/10/25/31/208102531.db2.gz AJSSFJHWSDLQIY-UHFFFAOYSA-N 0 0 376.428 4.447 10 0 GIAERN CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1 ZINC000085653479 208103002 /nfs/dbraw/zinc/10/30/02/208103002.db2.gz HTHNLZJCSNLVTI-UHFFFAOYSA-N 0 0 391.515 4.393 10 0 GIAERN CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)Nc2ccc(F)cc2)NC1=O ZINC000094992727 208149562 /nfs/dbraw/zinc/14/95/62/208149562.db2.gz HNSACNKFJSZIFJ-GFCCVEGCSA-N 0 0 393.484 4.183 10 0 GIAERN OC1CCN(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1 ZINC000095078272 208151785 /nfs/dbraw/zinc/15/17/85/208151785.db2.gz XCFMYNKOUIDNHV-UHFFFAOYSA-N 0 0 376.287 4.353 10 0 GIAERN CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075066 208152179 /nfs/dbraw/zinc/15/21/79/208152179.db2.gz ZAQLKUIEVBZWKF-ZDUSSCGKSA-N 0 0 389.327 4.005 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000095084684 208152379 /nfs/dbraw/zinc/15/23/79/208152379.db2.gz XHXMZYWZJAWQPA-MRXNPFEDSA-N 0 0 392.927 4.478 10 0 GIAERN CSc1nccnc1COCCC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095076832 208152766 /nfs/dbraw/zinc/15/27/66/208152766.db2.gz LNWZUFXSVAWYJI-OAHLLOKOSA-N 0 0 381.542 4.285 10 0 GIAERN CC(=O)c1nc2ccccc2n1C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000095082702 208153299 /nfs/dbraw/zinc/15/32/99/208153299.db2.gz IBDYFSVAGCXNMX-LJQANCHMSA-N 0 0 391.471 4.430 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COCc1cnc(Cl)nc1Cl ZINC000095086683 208156405 /nfs/dbraw/zinc/15/64/05/208156405.db2.gz NREABQLXZXKVGX-LBPRGKRZSA-N 0 0 376.284 4.090 10 0 GIAERN COc1cc2c(cc1OC)C(=O)[C@@H](/C=C1/C=CN(Cc3ccccc3)CC1)C2 ZINC000095934685 208238765 /nfs/dbraw/zinc/23/87/65/208238765.db2.gz FPYFEKPOEKQALJ-PGNDWZGLSA-N 0 0 375.468 4.405 10 0 GIAERN CCCc1c2nc(N)oc2c(OC(C)C)cc1-c1ccc(C2OCCO2)cn1 ZINC000095933058 208240027 /nfs/dbraw/zinc/24/00/27/208240027.db2.gz IGBVPTPNDAQXGW-UHFFFAOYSA-N 0 0 383.448 4.257 10 0 GIAERN CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C(=O)OC[C@H](O)CO)[C@@H]2CC1 ZINC000096347174 208310309 /nfs/dbraw/zinc/31/03/09/208310309.db2.gz HBKBEZURJSNABK-FQVVGKCUSA-N 0 0 376.537 4.018 10 0 GIAERN CCn1c(C(=O)NCc2ccco2)cc2cc(NC(=O)c3ccco3)ccc21 ZINC000096275443 208299929 /nfs/dbraw/zinc/29/99/29/208299929.db2.gz WANPSQAEIQIINM-UHFFFAOYSA-N 0 0 377.400 4.030 10 0 GIAERN CCn1c(SCc2cccc(C(=O)NC3CC3)c2)nnc1-c1ccc(C)cc1 ZINC000096294049 208304044 /nfs/dbraw/zinc/30/40/44/208304044.db2.gz QWUAZZSGXBPZMV-UHFFFAOYSA-N 0 0 392.528 4.458 10 0 GIAERN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CSCN1C(=O)Nc1ccccc1 ZINC000097123849 208338988 /nfs/dbraw/zinc/33/89/88/208338988.db2.gz NFJCZPCPBYKLGU-OAHLLOKOSA-N 0 0 395.406 4.251 10 0 GIAERN O[C@H](Cc1ccc(Br)cc1)Cc1ccc(F)cc1Br ZINC000053782829 208792601 /nfs/dbraw/zinc/79/26/01/208792601.db2.gz YLOUTPQGWRHLRJ-CQSZACIVSA-N 0 0 388.074 4.497 10 0 GIAERN O=C(Nc1nc[nH]n1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000026262617 208898047 /nfs/dbraw/zinc/89/80/47/208898047.db2.gz MHMMGLBLUCWSJD-UHFFFAOYSA-N 0 0 394.232 4.035 10 0 GIAERN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CCc4ccccc4C3)c12 ZINC000027934357 208927013 /nfs/dbraw/zinc/92/70/13/208927013.db2.gz RFYCOMKEASYLCE-UHFFFAOYSA-N 0 0 382.467 4.236 10 0 GIAERN O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1cc(F)c(F)cc1Cl ZINC000032647673 208990155 /nfs/dbraw/zinc/99/01/55/208990155.db2.gz KHMBYFRCTQJQRS-UHFFFAOYSA-N 0 0 383.185 4.164 10 0 GIAERN CCCCCCc1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)s1 ZINC000253495219 209044175 /nfs/dbraw/zinc/04/41/75/209044175.db2.gz MEVPXKHSRCFTBA-UHFFFAOYSA-N 0 0 391.533 4.452 10 0 GIAERN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccc(Cl)cc1Cl ZINC000224355812 136206841 /nfs/dbraw/zinc/20/68/41/136206841.db2.gz YZQWHZTXTGSNTR-UHFFFAOYSA-N 0 0 394.306 4.092 10 0 GIAERN COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3Br)n2)cc1 ZINC000057341468 523089742 /nfs/dbraw/zinc/08/97/42/523089742.db2.gz XILGNQAOHMGQMM-UHFFFAOYSA-N 0 0 390.212 4.091 10 0 GIAERN CCOC(=O)C1CCN(c2ccc(N3C(=O)C=C4CCCCC[C@@H]43)cc2)CC1 ZINC000085347836 535604051 /nfs/dbraw/zinc/60/40/51/535604051.db2.gz GXQQQJIJQWBBGN-NRFANRHFSA-N 0 0 382.504 4.072 10 0 GIAERN CCOC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000006242265 560205517 /nfs/dbraw/zinc/20/55/17/560205517.db2.gz MMPSFTZVUMTCKV-UHFFFAOYSA-N 0 0 396.466 4.257 10 0 in-vitro GIAERN Cc1ncsc1CCC(=O)N[C@@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 ZINC000012835829 570264531 /nfs/dbraw/zinc/26/45/31/570264531.db2.gz NGTFZMADXOXVGS-LJQANCHMSA-N 0 0 394.544 4.380 10 0 GIAERN COc1ccc([C@H]2CCc3nc(C(=O)Nc4ccc(F)cc4)cn3C2)c(OC)c1 ZINC000034899158 570343273 /nfs/dbraw/zinc/34/32/73/570343273.db2.gz QUQLQWZSGCXMLZ-AWEZNQCLSA-N 0 0 395.434 4.022 10 0 GIAERN CC(C)CN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)C1CC1 ZINC000006695938 570379541 /nfs/dbraw/zinc/37/95/41/570379541.db2.gz FVQUBLSRFFQKKZ-UHFFFAOYSA-N 0 0 385.552 4.276 10 0 GIAERN Cn1cccc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000002344868 570488202 /nfs/dbraw/zinc/48/82/02/570488202.db2.gz LVLZNBUNBWIHTQ-UKTHLTGXSA-N 0 0 379.304 4.193 10 0 GIAERN COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H]1O[C@@H]3[C@H](C)[C@@H]1C)OCO2 ZINC000169640865 570579528 /nfs/dbraw/zinc/57/95/28/570579528.db2.gz CYJVZLGKOMMOJB-MOGXELDJSA-N 0 0 398.411 4.226 10 0 GIAERN COc1ccc(C)cc1NC(=O)N1C[C@H](C)[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000097941155 570743224 /nfs/dbraw/zinc/74/32/24/570743224.db2.gz PSVMGELIIKSPRM-RDJZCZTQSA-N 0 0 392.459 4.321 10 0 GIAERN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(-c4ccno4)cc3)cc2)on1 ZINC000006887498 570906476 /nfs/dbraw/zinc/90/64/76/570906476.db2.gz SQEPXMXLNRALRW-UHFFFAOYSA-N 0 0 381.413 4.106 10 0 GIAERN Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)cc(Br)c1O ZINC000226243711 570935565 /nfs/dbraw/zinc/93/55/65/570935565.db2.gz SIYXKDAECCCCLV-UHFFFAOYSA-N 0 0 399.697 4.243 10 0 GIAERN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1 ZINC000065272464 230948160 /nfs/dbraw/zinc/94/81/60/230948160.db2.gz PDKSZWHHCOIXET-UHFFFAOYSA-N 0 0 378.476 4.217 10 0 GIAERN C[C@H](CN(C)Cc1nnc(SCCOc2ccccc2)n1C)c1ccccc1 ZINC000019300773 210239817 /nfs/dbraw/zinc/23/98/17/210239817.db2.gz MWOWPGYKTGPHHS-GOSISDBHSA-N 0 0 396.560 4.222 10 0 GIAERN COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000016087319 210184835 /nfs/dbraw/zinc/18/48/35/210184835.db2.gz BEMWOBPUBWREOO-JTQLQIEISA-N 0 0 390.288 4.050 10 0 GIAERN COCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000014646257 210122879 /nfs/dbraw/zinc/12/28/79/210122879.db2.gz WDQRZMKVZIUODX-LBPRGKRZSA-N 0 0 384.259 4.425 10 0 GIAERN CCN1CCc2nc3ccccc3c(C(=O)Nc3cccc4cccnc43)c2C1 ZINC000014517897 210117223 /nfs/dbraw/zinc/11/72/23/210117223.db2.gz AOLBPQIYDHNEQQ-UHFFFAOYSA-N 0 0 382.467 4.413 10 0 GIAERN COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)Nc2nc(N)nn21 ZINC000013132285 210054334 /nfs/dbraw/zinc/05/43/34/210054334.db2.gz CTZATOIYPRXEOW-CABCVRRESA-N 0 0 390.274 4.322 10 0 GIAERN COc1cccc(-c2nc3ccc(C(=O)N(C)[C@H](C)c4ccncn4)cc3o2)c1 ZINC000012718119 209997323 /nfs/dbraw/zinc/99/73/23/209997323.db2.gz HPQWIOMHZOHYTK-CQSZACIVSA-N 0 0 388.427 4.127 10 0 GIAERN C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000006558683 209656059 /nfs/dbraw/zinc/65/60/59/209656059.db2.gz BTIYCDMAQYFWSO-UGQPTUNDSA-N 0 0 392.430 4.196 10 0 GIAERN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(Br)c3)nc2c1 ZINC000006506591 209653232 /nfs/dbraw/zinc/65/32/32/209653232.db2.gz VADTVHBIVLVCDY-UHFFFAOYSA-N 0 0 376.279 4.365 10 0 GIAERN Cc1cc(NC(=O)c2sccc2C)n(CCOC(=O)c2sccc2C)n1 ZINC000003237298 209416767 /nfs/dbraw/zinc/41/67/67/209416767.db2.gz NTBJDVOGLHJFSR-UHFFFAOYSA-N 0 0 389.502 4.041 10 0 GIAERN Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)nc1 ZINC000002565150 209369541 /nfs/dbraw/zinc/36/95/41/209369541.db2.gz BKCYCNXBBQUYGM-UHFFFAOYSA-N 0 0 379.272 4.159 10 0 GIAERN CCOc1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)c2cccnc12 ZINC000002455792 209365198 /nfs/dbraw/zinc/36/51/98/209365198.db2.gz QWELFKWGMXLJEE-UHFFFAOYSA-N 0 0 382.485 4.313 10 0 GIAERN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)C(C)C ZINC000002752456 209382692 /nfs/dbraw/zinc/38/26/92/209382692.db2.gz GLGKMVKRNDMQMM-YVLHZVERSA-N 0 0 397.402 4.130 10 0 GIAERN CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 ZINC000002645919 209374583 /nfs/dbraw/zinc/37/45/83/209374583.db2.gz OGDFMGQJGZLYOL-LIRRHRJNSA-N 0 0 385.533 4.476 10 0 GIAERN CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)OCC)c2)cc1OC ZINC000001934677 209342505 /nfs/dbraw/zinc/34/25/05/209342505.db2.gz KUXDOXNWMMNZSH-ZRDIBKRKSA-N 0 0 383.444 4.313 10 0 GIAERN COC(=O)c1c(NC(=O)CCCOc2cc(C)ccc2C)sc2c1CCC2 ZINC000001925994 209342252 /nfs/dbraw/zinc/34/22/52/209342252.db2.gz DZMYRYSMDLBLHT-UHFFFAOYSA-N 0 0 387.501 4.438 10 0 GIAERN CCOC(=O)c1sc2nc(C)nc(Nc3ccc(OC)cc3OC)c2c1C ZINC000000755374 209263730 /nfs/dbraw/zinc/26/37/30/209263730.db2.gz QVLOZKKCWDPSQA-UHFFFAOYSA-N 0 0 387.461 4.246 10 0 GIAERN O=C(NCCc1coc2ccccc12)c1sccc1I ZINC000034843616 209246630 /nfs/dbraw/zinc/24/66/30/209246630.db2.gz LXDQECCJTILNBS-UHFFFAOYSA-N 0 0 397.237 4.071 10 0 GIAERN O=C(c1ccc(F)cc1)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000026008573 209242347 /nfs/dbraw/zinc/24/23/47/209242347.db2.gz WXEOVZHKJXFPPI-SFHVURJKSA-N 0 0 379.218 4.100 10 0 GIAERN CCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000002018447 209228855 /nfs/dbraw/zinc/22/88/55/209228855.db2.gz COIRSVPTDJIIKY-UHFFFAOYSA-N 0 0 385.847 4.406 10 0 GIAERN COc1ccc(OC)c(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)c1 ZINC000032500101 209192068 /nfs/dbraw/zinc/19/20/68/209192068.db2.gz PGLXHSXGXLCPLF-UHFFFAOYSA-N 0 0 381.823 4.230 10 0 GIAERN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)cc1Cl ZINC000226268666 209186843 /nfs/dbraw/zinc/18/68/43/209186843.db2.gz LUSOITCKCVAAFI-UHFFFAOYSA-N 0 0 380.275 4.437 10 0 GIAERN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)C1 ZINC000028049083 209180482 /nfs/dbraw/zinc/18/04/82/209180482.db2.gz ZDWJXYUPOMPMOD-SFHVURJKSA-N 0 0 392.455 4.219 10 0 GIAERN O=C(Nc1nc(-c2ccccc2)ns1)N1CCOc2ccc(Cl)cc2C1 ZINC000032573237 209179948 /nfs/dbraw/zinc/17/99/48/209179948.db2.gz UTAKEOBZSXWJEB-UHFFFAOYSA-N 0 0 386.864 4.285 10 0 GIAERN Cc1ccsc1C(C(=O)CC[N@@H+]1CCC[C@H](C(=O)[O-])C1)c1sccc1C ZINC000077301640 212058633 /nfs/dbraw/zinc/05/86/33/212058633.db2.gz OEDNVFDJXRIEJE-HNNXBMFYSA-N 0 0 391.558 4.314 10 0 in-vitro GIAERN Cc1cc(NC(=O)[C@@H](C)Cn2nc(C(F)(F)F)cc2C)n(C2CCCC2)n1 ZINC000028246966 211885529 /nfs/dbraw/zinc/88/55/29/211885529.db2.gz QCWXCQJSPVICGR-NSHDSACASA-N 0 0 383.418 4.105 10 0 GIAERN O=C(CSc1ccc(-c2ccncc2)nn1)Nc1ccccc1C(F)(F)F ZINC000004358055 211540338 /nfs/dbraw/zinc/54/03/38/211540338.db2.gz FYIIFDKHBVCLMB-UHFFFAOYSA-N 0 0 390.390 4.288 10 0 GIAERN Nc1nnc(-c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)o1 ZINC000226341915 211482144 /nfs/dbraw/zinc/48/21/44/211482144.db2.gz JYADBONMXKMROB-UHFFFAOYSA-N 0 0 398.619 4.453 10 0 GIAERN NN=c1[nH]c2c(cc(NC(=O)c3ccccc3Cl)cc2Br)s1 ZINC000226310144 211480435 /nfs/dbraw/zinc/48/04/35/211480435.db2.gz HKCQVWLJRRXIBF-UHFFFAOYSA-N 0 0 397.685 4.250 10 0 GIAERN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2N=C2CCC[C@H]2C1=O ZINC000101321417 211397794 /nfs/dbraw/zinc/39/77/94/211397794.db2.gz VRTAXUCSMFVQFN-CQSZACIVSA-N 0 0 397.862 4.207 10 0 GIAERN COC(=O)c1ccc(CNc2nc3cc(Br)ccc3s2)cc1 ZINC000098181078 211379178 /nfs/dbraw/zinc/37/91/78/211379178.db2.gz QOMJFYOPKQIQNJ-UHFFFAOYSA-N 0 0 377.263 4.458 10 0 GIAERN CCCNC(=O)CCn1c(Cc2cccnc2)nc2cc(Cl)c(Cl)cc21 ZINC000096292069 211330746 /nfs/dbraw/zinc/33/07/46/211330746.db2.gz FQHQZBRBNZRXLE-UHFFFAOYSA-N 0 0 391.302 4.245 10 0 GIAERN O=C(CCc1ccccc1)NCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096278323 211330217 /nfs/dbraw/zinc/33/02/17/211330217.db2.gz ZMOSODOUVHJYMH-UHFFFAOYSA-N 0 0 375.350 4.004 10 0 GIAERN CC(=O)c1cccc(NC(=O)N2CC[C@H](c3nc4ccncc4n3C(C)C)C2)c1 ZINC000096125306 211305251 /nfs/dbraw/zinc/30/52/51/211305251.db2.gz CURBFNXUDWSOGF-KRWDZBQOSA-N 0 0 391.475 4.236 10 0 GIAERN COC(=O)c1cc2cc(OC)c(OCc3ccccc3)cc2c(OC(C)=O)c1 ZINC000095937568 211284538 /nfs/dbraw/zinc/28/45/38/211284538.db2.gz VJSSOPYYYMGWQB-UHFFFAOYSA-N 0 0 380.396 4.139 10 0 GIAERN CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091222 211219604 /nfs/dbraw/zinc/21/96/04/211219604.db2.gz KFHWTXULQJVSND-QGZVFWFLSA-N 0 0 380.916 4.478 10 0 GIAERN CC(C)N(Cc1cccc(F)c1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088143 211219672 /nfs/dbraw/zinc/21/96/72/211219672.db2.gz ZHJZQXOTVDZXGD-GOSISDBHSA-N 0 0 378.488 4.352 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(C[S@](=O)c2nc3ccccc3s2)CC1 ZINC000095084408 211219019 /nfs/dbraw/zinc/21/90/19/211219019.db2.gz GWHKUNLSDQAENK-RUZDIDTESA-N 0 0 380.535 4.051 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](COCc2ccnc(Br)c2)C1 ZINC000095085474 211218904 /nfs/dbraw/zinc/21/89/04/211218904.db2.gz JMYIWJRIBSEJOK-AWEZNQCLSA-N 0 0 385.302 4.008 10 0 GIAERN COc1nc2ccccc2nc1OCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095076597 211218297 /nfs/dbraw/zinc/21/82/97/211218297.db2.gz ZLZOVFQNJKMDMV-UHFFFAOYSA-N 0 0 387.480 4.054 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COCc1ccc(Br)nc1 ZINC000095086680 211218346 /nfs/dbraw/zinc/21/83/46/211218346.db2.gz PGPRNRZICCXOGB-CQSZACIVSA-N 0 0 385.302 4.150 10 0 GIAERN CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074817 211216587 /nfs/dbraw/zinc/21/65/87/211216587.db2.gz JYDKQSNKRWGMSU-CYBMUJFWSA-N 0 0 384.879 4.085 10 0 GIAERN CN(c1nc2ccccc2nc1NC1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074088 211216425 /nfs/dbraw/zinc/21/64/25/211216425.db2.gz OYUFCFGHCYUSCO-MRXNPFEDSA-N 0 0 397.523 4.040 10 0 GIAERN CN(c1nc2ccccc2nc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074086 211216060 /nfs/dbraw/zinc/21/60/60/211216060.db2.gz IEHREEYAYVJMRA-CYBMUJFWSA-N 0 0 376.888 4.119 10 0 GIAERN CSc1nc(Cl)cc(SC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000085333314 211175308 /nfs/dbraw/zinc/17/53/08/211175308.db2.gz QTHLGCADYUOFPX-UHFFFAOYSA-N 0 0 375.947 4.344 10 0 GIAERN COc1ccc(CNc2nc(Nc3ccc(C(N)=O)cc3)nc3ccccc32)cc1 ZINC000072260719 211084106 /nfs/dbraw/zinc/08/41/06/211084106.db2.gz UWSBWCHVSRQPSO-UHFFFAOYSA-N 0 0 399.454 4.093 10 0 GIAERN c1cc2c(nc(NCc3cccnc3)cc2-c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000072133167 211074168 /nfs/dbraw/zinc/07/41/68/211074168.db2.gz ANGZXGASXBTHCX-UHFFFAOYSA-N 0 0 385.471 4.074 10 0 GIAERN COC(=O)[C@](C)(c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000071973526 211065451 /nfs/dbraw/zinc/06/54/51/211065451.db2.gz JEQBEZLHAWBLCD-LADGPHEKSA-N 0 0 376.452 4.430 10 0 GIAERN Cc1cc(C)n2nc(C(=O)N3CCC[C@H](CCc4ccccc4C)C3)cc2n1 ZINC000071388740 211047255 /nfs/dbraw/zinc/04/72/55/211047255.db2.gz ZXQUDNDZGQBJLP-LJQANCHMSA-N 0 0 376.504 4.140 10 0 GIAERN Cc1n[nH]c(C)c1CNc1ncc(-c2ccc(N)nc2)c(-c2ccc(C)cc2)n1 ZINC000067908139 211028739 /nfs/dbraw/zinc/02/87/39/211028739.db2.gz KNWAAUAPYRSATE-UHFFFAOYSA-N 0 0 385.475 4.048 10 0 GIAERN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NC(C)C)CC1 ZINC000064668008 210945100 /nfs/dbraw/zinc/94/51/00/210945100.db2.gz BOKCRLJCMNLEJY-OAHLLOKOSA-N 0 0 399.560 4.131 10 0 GIAERN Nc1c(Nc2ccc(F)cc2)ncnc1Oc1ccc(Br)cc1 ZINC000040782541 210795103 /nfs/dbraw/zinc/79/51/03/210795103.db2.gz RQLSBGNYVZUNNG-UHFFFAOYSA-N 0 0 375.201 4.496 10 0 GIAERN CSc1ncc2cc(-c3c(Cl)cccc3Cl)/c(=N/C(C)=O)n(C)c2n1 ZINC000039061814 210758392 /nfs/dbraw/zinc/75/83/92/210758392.db2.gz AGZYPNVWEUGADC-PGMHBOJBSA-N 0 0 393.299 4.111 10 0 in-vitro GIAERN Brc1ccn2cc(-c3ccc(I)cc3)nc2c1 ZINC000039325763 210762781 /nfs/dbraw/zinc/76/27/81/210762781.db2.gz CKANVWBKQCKBQB-UHFFFAOYSA-N 0 0 399.029 4.368 10 0 GIAERN O=C(CCC1CCCC1)NCCn1c(CCc2ccccc2)nc2cccnc21 ZINC000035478794 210687623 /nfs/dbraw/zinc/68/76/23/210687623.db2.gz URHDOGSENCPBAO-UHFFFAOYSA-N 0 0 390.531 4.303 10 0 GIAERN Nc1ccccc1S(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000034958063 210674837 /nfs/dbraw/zinc/67/48/37/210674837.db2.gz RVVVWGIGTSXJQL-UHFFFAOYSA-N 0 0 396.093 4.139 10 0 GIAERN O=C(Nc1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1)C1CCC1 ZINC000034735282 210663312 /nfs/dbraw/zinc/66/33/12/210663312.db2.gz JASRHNMQXBVNQL-UHFFFAOYSA-N 0 0 381.451 4.397 10 0 GIAERN COc1ccc([C@H]2CC(=O)c3ccc(I)cc3O2)cc1 ZINC000033814423 210654597 /nfs/dbraw/zinc/65/45/97/210654597.db2.gz VKIFZKMYUCRUHY-OAHLLOKOSA-N 0 0 380.181 4.006 10 0 GIAERN CCCN(CC)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)C)cc1 ZINC000023311396 210440896 /nfs/dbraw/zinc/44/08/96/210440896.db2.gz UVYWOBZMBLAVET-UHFFFAOYSA-N 0 0 381.480 4.226 10 0 GIAERN O=C1C[C@H](c2cc(F)cc(F)c2)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725780 210391987 /nfs/dbraw/zinc/39/19/87/210391987.db2.gz CQECAUKOUGEVPT-CYBMUJFWSA-N 0 0 382.395 4.234 10 0 GIAERN Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)c2c1 ZINC000021240782 210380229 /nfs/dbraw/zinc/38/02/29/210380229.db2.gz NIAJORIOCWVSJS-CVEARBPZSA-N 0 0 394.446 4.413 10 0 GIAERN CC[C@@H](c1n[nH]c2c1CN(Cc1nc(C)c(C)nc1C)CC2)c1ccccc1 ZINC000020866692 210364191 /nfs/dbraw/zinc/36/41/91/210364191.db2.gz QSDKWUGZOOCNSB-LJQANCHMSA-N 0 0 375.520 4.225 10 0 GIAERN c1cc(CN2Cc3ccccc3O[C@H](c3ccccc3)C2)n(-c2ncccn2)c1 ZINC000020855958 210363054 /nfs/dbraw/zinc/36/30/54/210363054.db2.gz DHZCYVLLFIOIMJ-QHCPKHFHSA-N 0 0 382.467 4.403 10 0 GIAERN O=C(NCCc1cscn1)c1csc2nc(-c3cccc(Cl)c3)cn12 ZINC000020455060 210336089 /nfs/dbraw/zinc/33/60/89/210336089.db2.gz VYSYFAWCJDLBCP-UHFFFAOYSA-N 0 0 388.905 4.145 10 0 GIAERN Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(NCc3cccc(C)n3)c12 ZINC000012127241 221155562 /nfs/dbraw/zinc/15/55/62/221155562.db2.gz GEBBPWJBFTVGOZ-CYBMUJFWSA-N 0 0 395.532 4.187 10 0 GIAERN COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409416262 533480945 /nfs/dbraw/zinc/48/09/45/533480945.db2.gz UOJHEFBVRRVUCJ-DAXSKMNVSA-N 0 0 396.668 4.189 10 0 GIAERN CC1CCN(C(=O)C[C@@H]2COc3cc(F)ccc3N2Cc2ccccc2)CC1 ZINC000064663472 136157342 /nfs/dbraw/zinc/15/73/42/136157342.db2.gz SFEDZJQYEZLAFC-HXUWFJFHSA-N 0 0 382.479 4.242 10 0 GIAERN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(Br)o1 ZINC000226254068 136192644 /nfs/dbraw/zinc/19/26/44/136192644.db2.gz JVQRXIDHJYIHTP-LLVKDONJSA-N 0 0 378.270 4.255 10 0 GIAERN COc1ccccc1Oc1cc(-c2cccc(C(=O)N3CCCC3)c2)ncn1 ZINC000035526567 524696174 /nfs/dbraw/zinc/69/61/74/524696174.db2.gz YCUNCNLQUFRWFG-UHFFFAOYSA-N 0 0 375.428 4.181 10 0 GIAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC(C(=O)[O-])CC2)c1C ZINC000073681915 526564766 /nfs/dbraw/zinc/56/47/66/526564766.db2.gz GNHPICGYKQEEEG-UHFFFAOYSA-N 0 0 379.382 4.080 10 0 GIAERN CCCN1c2cccnc2S[C@H](CC(=O)N[C@H](CC)c2cccs2)C1=O ZINC000065172190 535004794 /nfs/dbraw/zinc/00/47/94/535004794.db2.gz JSMPCWUCAGUUDQ-CZUORRHYSA-N 0 0 389.546 4.018 10 0 GIAERN CCCN1c2cccnc2S[C@@H](CC(=O)N[C@@H](CC)c2cccs2)C1=O ZINC000065172189 535004943 /nfs/dbraw/zinc/00/49/43/535004943.db2.gz JSMPCWUCAGUUDQ-BBRMVZONSA-N 0 0 389.546 4.018 10 0 GIAERN COc1ccc(NC(=O)C(C)C)cc1N1CCCN(Cc2ccccc2F)C1=O ZINC000040425793 536754207 /nfs/dbraw/zinc/75/42/07/536754207.db2.gz QEQIYBADYWSEND-UHFFFAOYSA-N 0 0 399.466 4.261 10 0 GIAERN CC(=O)O[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c(C)ncc21 ZINC000022046904 570303287 /nfs/dbraw/zinc/30/32/87/570303287.db2.gz ZJOYIVDHZXTWKB-FQEVSTJZSA-N 0 0 383.810 4.386 10 0 in-vitro GIAERN CCCN(C)C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000023455864 570324694 /nfs/dbraw/zinc/32/46/94/570324694.db2.gz XZZQFOGRHNWLOY-UHFFFAOYSA-N 0 0 377.473 4.026 10 0 GIAERN CN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1F ZINC000005150539 570428502 /nfs/dbraw/zinc/42/85/02/570428502.db2.gz XDYIQMZBGUPZJK-UHFFFAOYSA-N 0 0 387.457 4.118 10 0 GIAERN CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000005550943 570445212 /nfs/dbraw/zinc/44/52/12/570445212.db2.gz SCLJWNBVZQGNIW-KCXAZCMYSA-N 0 0 380.282 4.312 10 0 GIAERN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)C2CCC2)C1=O ZINC000036152571 570551913 /nfs/dbraw/zinc/55/19/13/570551913.db2.gz VMJHHBDKFXTJEP-HSZRJFAPSA-N 0 0 392.524 4.070 10 0 GIAERN CC(C)[C@@H](NC(=O)c1cc(=O)n2c3ccccc3nc2s1)c1cccs1 ZINC000033008835 570620538 /nfs/dbraw/zinc/62/05/38/570620538.db2.gz HLRZJVNTMGANQC-QGZVFWFLSA-N 0 0 383.498 4.098 10 0 GIAERN Cc1ccc(Cn2cc(CCC(=O)NC[C@H]3CCCO3)c3ccccc32)cc1 ZINC000006858113 570650715 /nfs/dbraw/zinc/65/07/15/570650715.db2.gz CQCGCDFHNCTGDP-OAQYLSRUSA-N 0 0 376.500 4.226 10 0 GIAERN Cc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1 ZINC000006875265 570663986 /nfs/dbraw/zinc/66/39/86/570663986.db2.gz TXORPTFMQXLXST-RTWAWAEBSA-N 0 0 390.508 4.283 10 0 GIAERN Cc1cc(F)ccc1NC(=O)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272907 570779179 /nfs/dbraw/zinc/77/91/79/570779179.db2.gz RYACHOSCZCLCER-AWEZNQCLSA-N 0 0 386.492 4.175 10 0 GIAERN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NC[C@H]4CCCO4)cc3)nc2)cc1 ZINC000033139298 570825774 /nfs/dbraw/zinc/82/57/74/570825774.db2.gz YUFSWWPCUNEGRA-OAQYLSRUSA-N 0 0 389.455 4.153 10 0 GIAERN CCC(=O)Nc1nc2cc(NC(=O)CCc3nc4ccccc4[nH]3)ccc2s1 ZINC000015863765 210175440 /nfs/dbraw/zinc/17/54/40/210175440.db2.gz LVQMSCFGAQTMHS-UHFFFAOYSA-N 0 0 393.472 4.092 10 0 GIAERN O=C(C1CCCCC1)N(Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccn1 ZINC000015070338 210147558 /nfs/dbraw/zinc/14/75/58/210147558.db2.gz RBYIZMVXGWLPQS-HSZRJFAPSA-N 0 0 394.515 4.358 10 0 GIAERN Cc1ncoc1C(=O)NC[C@@H]1Cc2cc(C)cc(-c3ccc(Cl)cc3)c2O1 ZINC000014959423 210133658 /nfs/dbraw/zinc/13/36/58/210133658.db2.gz YDARNTGANPNMFW-KRWDZBQOSA-N 0 0 382.847 4.345 10 0 GIAERN CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCC1CCCCC1 ZINC000013446265 210061858 /nfs/dbraw/zinc/06/18/58/210061858.db2.gz NSEWQAAURSWQID-SFHVURJKSA-N 0 0 379.541 4.277 10 0 GIAERN Cc1noc(C)c1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000012459353 209962485 /nfs/dbraw/zinc/96/24/85/209962485.db2.gz UDPXNHHYVOZUIB-QGZVFWFLSA-N 0 0 382.439 4.060 10 0 GIAERN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2Cc2ccccc2)cc1OC ZINC000009528204 209834433 /nfs/dbraw/zinc/83/44/33/209834433.db2.gz CPSMZSZTDXKOBH-FQEVSTJZSA-N 0 0 391.471 4.337 10 0 GIAERN O=C(Oc1cccc(Cl)c1)c1cc2cc(Br)ccc2oc1=O ZINC000005756994 209614346 /nfs/dbraw/zinc/61/43/46/209614346.db2.gz WEGREOZBZZQLTG-UHFFFAOYSA-N 0 0 379.593 4.428 10 0 GIAERN Oc1ccc(N2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000003326015 209425241 /nfs/dbraw/zinc/42/52/41/209425241.db2.gz SSWIQVQVHVRECE-UHFFFAOYSA-N 0 0 388.496 4.391 10 0 GIAERN CC(C)CCOc1ccc(C(=O)CC[NH2+][C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000002922275 209398254 /nfs/dbraw/zinc/39/82/54/209398254.db2.gz IZFAOMJBZAXUKC-OAQYLSRUSA-N 0 0 383.488 4.490 10 0 GIAERN O=C(CNC(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000002570547 209369562 /nfs/dbraw/zinc/36/95/62/209369562.db2.gz ZLABMJOGRQHNDP-UHFFFAOYSA-N 0 0 377.149 4.020 10 0 GIAERN COc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1OCc1ccccc1F ZINC000002746953 209381608 /nfs/dbraw/zinc/38/16/08/209381608.db2.gz NLCTVTSMIUQPKK-GZTJUZNOSA-N 0 0 393.370 4.351 10 0 GIAERN O=C(NC(=O)c1cc(C(F)(F)F)cc(Cl)n1)Nc1ccc(Cl)cc1 ZINC000002157593 209348497 /nfs/dbraw/zinc/34/84/97/209348497.db2.gz KAHKNNYFBJSVAY-UHFFFAOYSA-N 0 0 378.137 4.369 10 0 GIAERN CC1(C)C[C@@]2(C[C@H](c3ccccc3)Oc3cc(O)c(Cl)cc32)NC(=S)N1 ZINC000001065162 209295456 /nfs/dbraw/zinc/29/54/56/209295456.db2.gz UVYLWXKTTBQOBE-YLJYHZDGSA-N 0 0 388.920 4.411 10 0 GIAERN CCc1nc(-c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)no1 ZINC000035088154 209245973 /nfs/dbraw/zinc/24/59/73/209245973.db2.gz GEUGGQKTVAUFOL-UHFFFAOYSA-N 0 0 387.848 4.267 10 0 GIAERN CCn1ccc2cc(C3=NC[C@H](c4cc(OC)c(OC)c(OC)c4)O3)ccc21 ZINC000027524738 209243181 /nfs/dbraw/zinc/24/31/81/209243181.db2.gz HLMDHNPTVWKIEP-HXUWFJFHSA-N 0 0 380.444 4.205 10 0 GIAERN O=C1O[C@H](c2ccc(Cl)cc2Cl)[C@@](Cn2cncn2)(c2ccccc2)O1 ZINC000026008501 209241912 /nfs/dbraw/zinc/24/19/12/209241912.db2.gz DDNXUXQZTINNRX-SJLPKXTDSA-N 0 0 390.226 4.389 10 0 GIAERN CCOC(=O)Nc1cc(OC/C=C/c2ccccc2)cc(NC(=O)OCC)n1 ZINC000013215668 209235957 /nfs/dbraw/zinc/23/59/57/209235957.db2.gz UHOQVRAMDRFNHX-DHZHZOJOSA-N 0 0 385.420 4.311 10 0 GIAERN O=C(NCCc1coc2ccccc12)c1ccccc1I ZINC000090624405 209236596 /nfs/dbraw/zinc/23/65/96/209236596.db2.gz CFLXGFPZSMNZTI-UHFFFAOYSA-N 0 0 391.208 4.010 10 0 GIAERN O=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1 ZINC000013472090 209234034 /nfs/dbraw/zinc/23/40/34/209234034.db2.gz BXUOVUWILQWARZ-UHFFFAOYSA-N 0 0 399.890 4.099 10 0 GIAERN CCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1 ZINC000003819730 209229639 /nfs/dbraw/zinc/22/96/39/209229639.db2.gz RGFNVBZLENOGJK-UHFFFAOYSA-N 0 0 383.229 4.259 10 0 GIAERN Cc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1N ZINC000226269119 209187080 /nfs/dbraw/zinc/18/70/80/209187080.db2.gz VXKWSRXEHLABOQ-UHFFFAOYSA-N 0 0 380.229 4.051 10 0 GIAERN O=C1CCCc2cc(OCc3cccc(I)c3)ccc21 ZINC000169349244 209184505 /nfs/dbraw/zinc/18/45/05/209184505.db2.gz KIBIRZJNUQTZDW-UHFFFAOYSA-N 0 0 378.209 4.389 10 0 GIAERN Cc1ccc(OCCCOc2ccccc2/C=C2/SC(=N)NC2=O)cc1C ZINC000041077999 212043735 /nfs/dbraw/zinc/04/37/35/212043735.db2.gz PWELMEZQAWKTOH-CPNJWEJPSA-N 0 0 382.485 4.290 10 0 GIAERN C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000016086553 209173101 /nfs/dbraw/zinc/17/31/01/209173101.db2.gz ZAIMHIPYUXXFJT-QMMMGPOBSA-N 0 0 380.716 4.204 10 0 GIAERN Cc1ccc(Br)cc1NC(=O)c1cc(Br)ccc1N ZINC000123747816 211966626 /nfs/dbraw/zinc/96/66/26/211966626.db2.gz WANJTYUKFIYTRU-UHFFFAOYSA-N 0 0 384.071 4.355 10 0 GIAERN Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc2sc(=NN)[nH]c21 ZINC000226313055 211482068 /nfs/dbraw/zinc/48/20/68/211482068.db2.gz CFGWLNXGADMVKF-UHFFFAOYSA-N 0 0 384.505 4.205 10 0 GIAERN Cc1cc(C)c(OCC(=O)n2nnc3cc(Br)ccc32)c(Cl)c1 ZINC000226359806 211482075 /nfs/dbraw/zinc/48/20/75/211482075.db2.gz HOZGKPNLXREUNE-UHFFFAOYSA-N 0 0 394.656 4.183 10 0 GIAERN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)Nc1ccccc1 ZINC000101320064 211398584 /nfs/dbraw/zinc/39/85/84/211398584.db2.gz HAEYGNKVQQUMLW-UHFFFAOYSA-N 0 0 375.453 4.244 10 0 GIAERN COc1ccc([C@@H](C)NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1OC ZINC000097168052 211362613 /nfs/dbraw/zinc/36/26/13/211362613.db2.gz MGZOAWCMTUZGGO-GFCCVEGCSA-N 0 0 386.448 4.457 10 0 GIAERN Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)NC2CCC(C)CC2)c1C ZINC000096341440 211336478 /nfs/dbraw/zinc/33/64/78/211336478.db2.gz FRMZZADQVJQVPB-UHFFFAOYSA-N 0 0 381.567 4.229 10 0 GIAERN Cc1c(F)cccc1N1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000096281408 211329287 /nfs/dbraw/zinc/32/92/87/211329287.db2.gz SQOOAEPWJAXTSN-CQSZACIVSA-N 0 0 380.341 4.145 10 0 GIAERN Cc1oc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)nc1Cn1cccn1 ZINC000096397224 211339661 /nfs/dbraw/zinc/33/96/61/211339661.db2.gz ZXSSYBSHJGDBCD-UHFFFAOYSA-N 0 0 394.381 4.425 10 0 GIAERN COC(=O)c1cc2cc(OC)c(OC)c(OC)c2c(OCc2ccccc2)c1 ZINC000095937669 211284429 /nfs/dbraw/zinc/28/44/29/211284429.db2.gz UIHPQWBUIVXXPF-UHFFFAOYSA-N 0 0 382.412 4.231 10 0 GIAERN COC(=O)n1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2c1nccc2Cl ZINC000095937075 211283892 /nfs/dbraw/zinc/28/38/92/211283892.db2.gz ZAPADRCKACGDKD-LBPRGKRZSA-N 0 0 393.871 4.419 10 0 GIAERN CCOc1nc2ccccc2nc1OCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095091834 211220483 /nfs/dbraw/zinc/22/04/83/211220483.db2.gz OUHAYMKGXWUSSE-UHFFFAOYSA-N 0 0 387.480 4.054 10 0 GIAERN CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091210 211219861 /nfs/dbraw/zinc/21/98/61/211219861.db2.gz IPGOCNTXBQMLJT-INIZCTEOSA-N 0 0 380.916 4.336 10 0 GIAERN COc1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C(C)C)cc1 ZINC000095076291 211219205 /nfs/dbraw/zinc/21/92/05/211219205.db2.gz GOEIOSSMDKVKIC-GOSISDBHSA-N 0 0 390.524 4.079 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cc(Cl)ccc2Cl)CC1 ZINC000095083477 211218949 /nfs/dbraw/zinc/21/89/49/211218949.db2.gz STTHBLMFAIKHKR-UHFFFAOYSA-N 0 0 387.307 4.257 10 0 GIAERN CSc1nccnc1COCCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095076835 211219015 /nfs/dbraw/zinc/21/90/15/211219015.db2.gz ZLNOUDGSECULPX-HNNXBMFYSA-N 0 0 381.542 4.142 10 0 GIAERN CC(=O)c1nc2ccccc2n1C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000095082714 211219048 /nfs/dbraw/zinc/21/90/48/211219048.db2.gz DDOSYCRHZJJEGL-GOSISDBHSA-N 0 0 377.444 4.040 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2ccccc2nc1Cl ZINC000095086613 211218893 /nfs/dbraw/zinc/21/88/93/211218893.db2.gz HZKZEXNIRUJOMC-ZDUSSCGKSA-N 0 0 377.872 4.452 10 0 GIAERN COC(=O)c1cc(C(=O)CN(Cc2ccccc2)Cc2ccccc2)ccc1O ZINC000095080563 211218776 /nfs/dbraw/zinc/21/87/76/211218776.db2.gz CTTFXICXGSXPRG-UHFFFAOYSA-N 0 0 389.451 4.064 10 0 GIAERN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2nc1Cl ZINC000095075561 211218069 /nfs/dbraw/zinc/21/80/69/211218069.db2.gz MZRPMUSIKISBQX-UHFFFAOYSA-N 0 0 390.915 4.367 10 0 GIAERN CNc1nc2ccccc2nc1OCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095075851 211218155 /nfs/dbraw/zinc/21/81/55/211218155.db2.gz VYNSYMMKYUSVHY-UHFFFAOYSA-N 0 0 386.496 4.088 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1nc2ccccc2nc1NC1CC1 ZINC000095086476 211217938 /nfs/dbraw/zinc/21/79/38/211217938.db2.gz CRPKAXLDQAOQSI-MRXNPFEDSA-N 0 0 397.523 4.406 10 0 GIAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(Br)n1 ZINC000095074963 211215819 /nfs/dbraw/zinc/21/58/19/211215819.db2.gz PVBDQCLTNKCDAS-CYBMUJFWSA-N 0 0 384.318 4.070 10 0 GIAERN CC(C)(C)OC(=O)N1CC[C@@]2(c3ccc(Br)cc3)CCOC[C@H]12 ZINC000091302699 211189629 /nfs/dbraw/zinc/18/96/29/211189629.db2.gz NSAGYDBVHHRDGG-YJBOKZPZSA-N 0 0 382.298 4.117 10 0 GIAERN CC(=O)OCC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000084403412 211169293 /nfs/dbraw/zinc/16/92/93/211169293.db2.gz LIZWBGZACPSUNY-CKRBXLRKSA-N 0 0 388.548 4.305 10 0 GIAERN COc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000072412565 211114670 /nfs/dbraw/zinc/11/46/70/211114670.db2.gz ZJGVRTUMQUFUOX-KRWDZBQOSA-N 0 0 385.876 4.129 10 0 GIAERN CC(=O)Nc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3ccccc23)cc1 ZINC000065130606 210968358 /nfs/dbraw/zinc/96/83/58/210968358.db2.gz VLBWQRVEYNDRCS-UHFFFAOYSA-N 0 0 388.402 4.375 10 0 GIAERN Cc1ccc(C)c2sc(NC(=O)CCNC(=O)c3c[nH]c4ccccc43)nc21 ZINC000040119422 210775388 /nfs/dbraw/zinc/77/53/88/210775388.db2.gz QFQNJHOEAYVHAO-UHFFFAOYSA-N 0 0 392.484 4.153 10 0 GIAERN Cc1ccc(/C=C/c2nc3s/c(=C/c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 ZINC000039835389 210764092 /nfs/dbraw/zinc/76/40/92/210764092.db2.gz DRXXPHTYIBTEIS-IKVNRTJKSA-N 0 0 387.508 4.301 10 0 GIAERN CN(C(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)C1CCCCC1 ZINC000035398624 210683154 /nfs/dbraw/zinc/68/31/54/210683154.db2.gz WVRVQYIPIGEHPK-UHFFFAOYSA-N 0 0 396.510 4.290 10 0 GIAERN COc1ccc(OCCC[C@H](C)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1 ZINC000504595329 533012905 /nfs/dbraw/zinc/01/29/05/533012905.db2.gz ACKHCBLVQFMCRV-HKUYNNGSSA-N 0 0 397.471 4.080 10 0 GIAERN Cc1ccc(S(=O)(=O)N2CCC(n3nc(C(C)C)cc3C(C)C)CC2)cc1 ZINC000022633797 210418932 /nfs/dbraw/zinc/41/89/32/210418932.db2.gz UETCQYOTVTXGGD-UHFFFAOYSA-N 0 0 389.565 4.464 10 0 GIAERN C[C@@H](Nc1ccccc1NS(C)(=O)=O)c1ccc(Br)s1 ZINC000038003174 210406921 /nfs/dbraw/zinc/40/69/21/210406921.db2.gz YACHENAERAZHEV-SECBINFHSA-N 0 0 375.313 4.055 10 0 GIAERN O=C([O-])c1cc(NCC2CC[NH+](Cc3cccc(F)c3)CC2)nc2ccccc21 ZINC000021715264 210390017 /nfs/dbraw/zinc/39/00/17/210390017.db2.gz NZFUPLZVZOXYTB-UHFFFAOYSA-N 0 0 393.462 4.396 10 0 GIAERN O=c1c2ccc[nH]c-2c(Nc2cccc(Br)c2)n1Cc1ccco1 ZINC000021105376 210376774 /nfs/dbraw/zinc/37/67/74/210376774.db2.gz NPRCLTGIJVQYIG-KRWDZBQOSA-N 0 0 384.233 4.204 10 0 GIAERN CCOCCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000020490380 210342291 /nfs/dbraw/zinc/34/22/91/210342291.db2.gz VZIFMEHVELWQTF-UHFFFAOYSA-N 0 0 379.485 4.372 10 0 GIAERN C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1cccc(Cl)c1 ZINC000020312268 210327003 /nfs/dbraw/zinc/32/70/03/210327003.db2.gz UDIBWECPLOVXDR-LBPRGKRZSA-N 0 0 385.876 4.210 10 0 GIAERN COc1cc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)cc(OC)c1 ZINC000020228128 210323733 /nfs/dbraw/zinc/32/37/33/210323733.db2.gz PKSWSWOCQYBAPB-UHFFFAOYSA-N 0 0 393.512 4.498 10 0 GIAERN c1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)OCCO3)nc1 ZINC000019811188 210300930 /nfs/dbraw/zinc/30/09/30/210300930.db2.gz KHCMYPFCWOXMKT-VWLOTQADSA-N 0 0 397.478 4.482 10 0 GIAERN Fc1ccc(-c2csc(CN3CCc4[nH]nc(-c5ccco5)c4C3)n2)cc1 ZINC000019773712 210295221 /nfs/dbraw/zinc/29/52/21/210295221.db2.gz BXRBVJPTRPAOJP-UHFFFAOYSA-N 0 0 380.448 4.491 10 0 GIAERN CC(=O)c1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C2CCCCC2)[nH]n1 ZINC000011935415 221138915 /nfs/dbraw/zinc/13/89/15/221138915.db2.gz JIKMQKKODWQZLK-JOCHJYFZSA-N 0 0 390.487 4.414 10 0 GIAERN Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(NCc3cccc(C)n3)c12 ZINC000012127247 221155766 /nfs/dbraw/zinc/15/57/66/221155766.db2.gz GEBBPWJBFTVGOZ-ZDUSSCGKSA-N 0 0 395.532 4.187 10 0 GIAERN COc1cccc(-c2cc(=O)[nH]c(NCc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000057341727 525697967 /nfs/dbraw/zinc/69/79/67/525697967.db2.gz YPQOGDWGGUCKDE-UHFFFAOYSA-N 0 0 375.350 4.076 10 0 GIAERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1nc2ccccc2nc1Cl ZINC000095087365 534891264 /nfs/dbraw/zinc/89/12/64/534891264.db2.gz NPDGFLYQPZRSIA-CYBMUJFWSA-N 0 0 376.888 4.167 10 0 GIAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000073680702 526564999 /nfs/dbraw/zinc/56/49/99/526564999.db2.gz NGFOYOUWAKGKLT-CQSZACIVSA-N 0 0 379.382 4.080 10 0 GIAERN COc1ccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)cc1OC ZINC000226331398 536776779 /nfs/dbraw/zinc/77/67/79/536776779.db2.gz CQOMSENLQRVHLA-GJZGRUSLSA-N 0 0 397.519 4.329 10 0 GIAERN CC(=O)O[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c(C)ncc21 ZINC000022046909 570303230 /nfs/dbraw/zinc/30/32/30/570303230.db2.gz ZJOYIVDHZXTWKB-HXUWFJFHSA-N 0 0 383.810 4.386 10 0 in-vitro GIAERN COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2 ZINC000006066773 570312024 /nfs/dbraw/zinc/31/20/24/570312024.db2.gz OGJPBGDUYKEQLA-NEPJUHHUSA-N 0 0 386.444 4.185 10 0 GIAERN COCC(=O)Nc1cccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000034735483 570328068 /nfs/dbraw/zinc/32/80/68/570328068.db2.gz VBZYDWCVIABXIK-UHFFFAOYSA-N 0 0 395.503 4.227 10 0 GIAERN Nc1nc(CSc2cc(Cl)c(Cl)cn2)nc(Nc2ccccc2)n1 ZINC000006644264 570485893 /nfs/dbraw/zinc/48/58/93/570485893.db2.gz KIHNWVBPPFVKCX-UHFFFAOYSA-N 0 0 379.276 4.192 10 0 GIAERN CCNC(=O)c1coc(CN(Cc2ccccc2C)[C@@H](C)c2ccccc2)n1 ZINC000036073526 570528434 /nfs/dbraw/zinc/52/84/34/570528434.db2.gz AZCUATWGGNMAAZ-SFHVURJKSA-N 0 0 377.488 4.496 10 0 GIAERN CC(C)(C)OC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104222 570541053 /nfs/dbraw/zinc/54/10/53/570541053.db2.gz IRPQHWUZJAVUIQ-LJQANCHMSA-N 0 0 381.438 4.282 10 0 GIAERN CCC(=O)N(CCOC)Cc1csc(COc2cc(C)cc(C)c2C)n1 ZINC000036105884 570542146 /nfs/dbraw/zinc/54/21/46/570542146.db2.gz JZPYESSSJIQSGN-UHFFFAOYSA-N 0 0 376.522 4.032 10 0 GIAERN CCCCn1c(CN2CCC[C@H](C)C2)cnc1S(=O)(=O)C1CCCCC1 ZINC000011664605 570578482 /nfs/dbraw/zinc/57/84/82/570578482.db2.gz ACTHUNTYYGWVPM-KRWDZBQOSA-N 0 0 381.586 4.022 10 0 GIAERN CCN(C(=O)CN1c2ccccc2N=C2CCC[C@@H]2C1=O)c1cccc(C)c1 ZINC000101946837 570839182 /nfs/dbraw/zinc/83/91/82/570839182.db2.gz NZZZTULNEUYPGM-SFHVURJKSA-N 0 0 375.472 4.267 10 0 GIAERN Cc1cc(Cl)ccc1NC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cccs1 ZINC000097138132 570899033 /nfs/dbraw/zinc/89/90/33/570899033.db2.gz BJNPVVAEYWZXPK-NOLJZWGESA-N 0 0 389.908 4.135 10 0 GIAERN CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3cccc(Br)c3)c2C1 ZINC000309992782 570914734 /nfs/dbraw/zinc/91/47/34/570914734.db2.gz APMMECCXYFQWLE-UHFFFAOYSA-N 0 0 378.270 4.132 10 0 GIAERN Cc1noc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012714909 570967122 /nfs/dbraw/zinc/96/71/22/570967122.db2.gz IZALPUDYCNSJPG-SFHVURJKSA-N 0 0 378.476 4.229 10 0 GIAERN COCC(=O)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1 ZINC000015863715 210176725 /nfs/dbraw/zinc/17/67/25/210176725.db2.gz QQPFLFSUWGAFMU-UHFFFAOYSA-N 0 0 385.467 4.396 10 0 GIAERN Cc1ccc(-n2ncc(C(=O)NCCc3cccs3)c2-n2cccc2)cc1 ZINC000015681285 210162960 /nfs/dbraw/zinc/16/29/60/210162960.db2.gz KVTXWEGCPGNAAT-UHFFFAOYSA-N 0 0 376.485 4.005 10 0 GIAERN CSc1[nH]c2cc(Br)cc(Br)c2c1[S@@](C)=O ZINC000013449767 210061707 /nfs/dbraw/zinc/06/17/07/210061707.db2.gz JIIUXPPTKXBSSZ-INIZCTEOSA-N 0 0 383.130 4.152 10 0 GIAERN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O ZINC000013298434 210057560 /nfs/dbraw/zinc/05/75/60/210057560.db2.gz GDUPBUZZJUIEDX-RIQJQHKOSA-N 0 0 378.512 4.453 10 0 in-vitro GIAERN Cc1ccccc1-c1cnnc(N2CCC[C@@H](COc3ccccc3F)C2)n1 ZINC000012714685 209993878 /nfs/dbraw/zinc/99/38/78/209993878.db2.gz GUIWMNQNPKYIFS-QGZVFWFLSA-N 0 0 378.451 4.282 10 0 GIAERN COc1cccc([C@@H]2C[C@@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)c1 ZINC000012469452 209963516 /nfs/dbraw/zinc/96/35/16/209963516.db2.gz SRPHZJWELMANIS-GJZGRUSLSA-N 0 0 390.274 4.322 10 0 aggregator GIAERN CC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)C2(C)CC2)C3)s1 ZINC000012155239 209914708 /nfs/dbraw/zinc/91/47/08/209914708.db2.gz UCXKCWNKIPVAQH-AWEZNQCLSA-N 0 0 389.904 4.491 10 0 GIAERN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1occc1C)O2 ZINC000012000058 209896994 /nfs/dbraw/zinc/89/69/94/209896994.db2.gz XHPFXTUVQUIATQ-GOSISDBHSA-N 0 0 375.424 4.191 10 0 GIAERN COc1cc(C(=O)Nc2ccccc2C)c(Br)c(OC)c1OC ZINC000005756282 209614819 /nfs/dbraw/zinc/61/48/19/209614819.db2.gz CVYLGTLEXZCOBF-UHFFFAOYSA-N 0 0 380.238 4.036 10 0 GIAERN O=C(Nc1ccc(I)cc1)c1cc2c(s1)CCCC2 ZINC000003560134 209444794 /nfs/dbraw/zinc/44/47/94/209444794.db2.gz RHQUOVCIQLDABL-UHFFFAOYSA-N 0 0 383.254 4.484 10 0 GIAERN CCCCOc1ccccc1/C=C/C(=O)Nc1nc(C)c(C(=O)OCC)s1 ZINC000001984200 209343114 /nfs/dbraw/zinc/34/31/14/209343114.db2.gz WZIRAKGNTTYKIX-VAWYXSNFSA-N 0 0 388.489 4.459 10 0 GIAERN CCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC ZINC000001934675 209342203 /nfs/dbraw/zinc/34/22/03/209342203.db2.gz SBGKEGFJQCYXHL-NTUHNPAUSA-N 0 0 383.444 4.313 10 0 GIAERN O=C(CNc1ccc(C(=O)Cc2cccnc2)cc1)Nc1ccc2cnccc2c1 ZINC000035088462 209246988 /nfs/dbraw/zinc/24/69/88/209246988.db2.gz IOBMCQHFRANIHM-UHFFFAOYSA-N 0 0 396.450 4.106 10 0 GIAERN COc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000034524837 209245348 /nfs/dbraw/zinc/24/53/48/209245348.db2.gz WMJUBLFKLAMLHS-VXKWHMMOSA-N 0 0 375.424 4.239 10 0 GIAERN Nc1ccccc1NC(=O)c1ccc(Cn2cc3c(cc(F)cc3F)n2)cc1 ZINC000034891419 209246457 /nfs/dbraw/zinc/24/64/57/209246457.db2.gz QNHXTNFGNQHTPC-UHFFFAOYSA-N 0 0 378.382 4.197 10 0 GIAERN Cc1c(Br)c(=O)c(C(=O)Nc2ccccc2)c(C)n1-c1ccccc1 ZINC000028767348 209243432 /nfs/dbraw/zinc/24/34/32/209243432.db2.gz DLDISEQWTQYBIX-UHFFFAOYSA-N 0 0 397.272 4.469 10 0 GIAERN CN(C)c1ccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)cc1 ZINC000028767850 209242990 /nfs/dbraw/zinc/24/29/90/209242990.db2.gz QWLDLPHCDZVZGO-UHFFFAOYSA-N 0 0 378.867 4.338 10 0 GIAERN Clc1ccc([C@@]2(Cn3cncn3)OCO[C@@H]2c2ccccc2)c(Cl)c1 ZINC000026005648 209241844 /nfs/dbraw/zinc/24/18/44/209241844.db2.gz DAOICZTYCANZPF-QZTJIDSGSA-N 0 0 376.243 4.226 10 0 GIAERN Fc1ccc([C@H]2OCO[C@]2(Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 ZINC000026007102 209242121 /nfs/dbraw/zinc/24/21/21/209242121.db2.gz IYNBKLYQSXFWSV-QZTJIDSGSA-N 0 0 394.233 4.365 10 0 GIAERN CCCCOc1ccc(CC(=O)N2CCN(CCc3ccccc3)CC2)cc1C ZINC000031596545 209243461 /nfs/dbraw/zinc/24/34/61/209243461.db2.gz WDFKAGGJTNAMIF-UHFFFAOYSA-N 0 0 394.559 4.103 10 0 GIAERN CCOC(CSc1nc(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]1)OCC ZINC000005886746 209232452 /nfs/dbraw/zinc/23/24/52/209232452.db2.gz CHICPYFDBHXNEO-UHFFFAOYSA-N 0 0 390.549 4.031 10 0 GIAERN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(-n3cccc3)cc2)CC1 ZINC000226245924 209187556 /nfs/dbraw/zinc/18/75/56/209187556.db2.gz QLJRTZVFXJPZBJ-UHFFFAOYSA-N 0 0 395.890 4.102 10 0 GIAERN CCc1cc(C)cc(OCCOc2ccc(/C=C3/SC(=N)NC3=O)cc2)c1 ZINC000033419731 209183152 /nfs/dbraw/zinc/18/31/52/209183152.db2.gz AFWKNTUDQFIOMN-CPNJWEJPSA-N 0 0 382.485 4.154 10 0 GIAERN Cc1oc(-c2ccc(C)cc2)nc1CN(Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000055053466 212058850 /nfs/dbraw/zinc/05/88/50/212058850.db2.gz FVJXHMVLTPVLJH-NRFANRHFSA-N 0 0 389.499 4.239 10 0 GIAERN Cc1cccc(C(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)c1 ZINC000041086250 212043007 /nfs/dbraw/zinc/04/30/07/212043007.db2.gz YGRJVRQIKHSDIL-UHFFFAOYSA-N 0 0 399.450 4.143 10 0 GIAERN COc1cccc(OC)c1CN1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000299759749 212034001 /nfs/dbraw/zinc/03/40/01/212034001.db2.gz OTMROEQVRPAAIB-HXUWFJFHSA-N 0 0 385.504 4.178 10 0 GIAERN COC(=O)[C@](C)(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000252496800 211984297 /nfs/dbraw/zinc/98/42/97/211984297.db2.gz PSAPJICIAGYZNW-XMMPIXPASA-N 0 0 390.479 4.167 10 0 GIAERN O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000032609901 211940508 /nfs/dbraw/zinc/94/05/08/211940508.db2.gz VYCVGVMSJZVOIO-SJORKVTESA-N 0 0 385.826 4.454 10 0 GIAERN COc1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000028574407 211897169 /nfs/dbraw/zinc/89/71/69/211897169.db2.gz SCICVRUUTCXNEE-UHFFFAOYSA-N 0 0 375.350 4.211 10 0 GIAERN C[C@@H]1CCCN(C(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)C1 ZINC000027972064 211865114 /nfs/dbraw/zinc/86/51/14/211865114.db2.gz SPCUFRWGEGJNRC-GOSISDBHSA-N 0 0 375.472 4.459 10 0 GIAERN CCOC(=O)/C=C/c1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000226337548 211481905 /nfs/dbraw/zinc/48/19/05/211481905.db2.gz XAPCRQZXGWEBOT-VOTSOKGWSA-N 0 0 392.249 4.008 10 0 GIAERN C[C@@H](O[C@H](C)N1CCN(C[C@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000100348695 211386362 /nfs/dbraw/zinc/38/63/62/211386362.db2.gz VVYAVEWLUQGJOG-PWRODBHTSA-N 0 0 380.532 4.247 10 0 GIAERN Cc1oc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)NCc1cccs1 ZINC000096396482 211339606 /nfs/dbraw/zinc/33/96/06/211339606.db2.gz PETOZCADYRWRCN-UHFFFAOYSA-N 0 0 396.443 4.082 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[S@](=O)c1nc2ccccc2s1 ZINC000095086850 211220363 /nfs/dbraw/zinc/22/03/63/211220363.db2.gz MRGMVUAQYQFSJR-YMXBGEKHSA-N 0 0 380.535 4.194 10 0 GIAERN CCOc1nc2ccccc2nc1OC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091829 211220123 /nfs/dbraw/zinc/22/01/23/211220123.db2.gz JBBZUFWUJGALQH-HNNXBMFYSA-N 0 0 387.480 4.054 10 0 GIAERN CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091187 211219909 /nfs/dbraw/zinc/21/99/09/211219909.db2.gz ULUZHKWTRKMWLO-INIZCTEOSA-N 0 0 380.916 4.336 10 0 GIAERN OC1CCN(c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)CC1 ZINC000095078276 211218962 /nfs/dbraw/zinc/21/89/62/211218962.db2.gz CRQDZGYKBQXAAZ-UHFFFAOYSA-N 0 0 376.287 4.353 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2cccc(Cl)c2)C2CC2)CC1 ZINC000095083471 211219029 /nfs/dbraw/zinc/21/90/29/211219029.db2.gz AGBKQFCUXUIHFP-UHFFFAOYSA-N 0 0 392.927 4.478 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000095086167 211219084 /nfs/dbraw/zinc/21/90/84/211219084.db2.gz RQUWEWJGRJBHNF-GOSISDBHSA-N 0 0 376.472 4.106 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](C[S@@](=O)c2nc3ccccc3s2)C1 ZINC000095085638 211218870 /nfs/dbraw/zinc/21/88/70/211218870.db2.gz OVCHHHJTZCLYFD-CANCMXDXSA-N 0 0 380.535 4.051 10 0 GIAERN CC(=O)c1nc2ccccc2n1C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095082697 211218922 /nfs/dbraw/zinc/21/89/22/211218922.db2.gz SSGWCKHLZCRNQD-UHFFFAOYSA-N 0 0 377.444 4.213 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2cc(Cl)ccc2Cl)C1 ZINC000095084701 211218750 /nfs/dbraw/zinc/21/87/50/211218750.db2.gz YRIODQYALSRJGE-LBPRGKRZSA-N 0 0 387.307 4.257 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000095084698 211218761 /nfs/dbraw/zinc/21/87/61/211218761.db2.gz FTOKOHZLXAPVKR-GFCCVEGCSA-N 0 0 387.307 4.257 10 0 GIAERN Cc1ncc(Br)n1-c1cccc(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000095081567 211218330 /nfs/dbraw/zinc/21/83/30/211218330.db2.gz GRBQOBYMWYQNFT-UHFFFAOYSA-N 0 0 397.487 4.252 10 0 GIAERN CN(c1nc2ccccc2nc1NC1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074169 211217511 /nfs/dbraw/zinc/21/75/11/211217511.db2.gz OYUFCFGHCYUSCO-INIZCTEOSA-N 0 0 397.523 4.040 10 0 GIAERN CN(c1nc2ccccc2nc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095074655 211216607 /nfs/dbraw/zinc/21/66/07/211216607.db2.gz ZSOGUUQZMOHPKR-UHFFFAOYSA-N 0 0 376.888 4.119 10 0 GIAERN COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000077285136 211129705 /nfs/dbraw/zinc/12/97/05/211129705.db2.gz HWUHPKYXIBZDMX-IBGZPJMESA-N 0 0 385.460 4.395 10 0 in-vitro GIAERN Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](CCc4ccccc4C)C3)cc2n1 ZINC000071388739 211046488 /nfs/dbraw/zinc/04/64/88/211046488.db2.gz ZXQUDNDZGQBJLP-IBGZPJMESA-N 0 0 376.504 4.140 10 0 GIAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(OCc3ccccc3)cc2)[C@@H](O)C1 ZINC000090614982 211038787 /nfs/dbraw/zinc/03/87/87/211038787.db2.gz FYTOCUHAQHZOGJ-SFTDATJTSA-N 0 0 383.488 4.351 10 0 GIAERN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N1CCC[C@H](C)C1 ZINC000065194907 210973658 /nfs/dbraw/zinc/97/36/58/210973658.db2.gz LIFDUAMVRFGQJG-HNNXBMFYSA-N 0 0 378.476 4.080 10 0 GIAERN O[C@@H](Cc1sccc1Br)Cc1ccc(Br)cc1 ZINC000053782861 210875246 /nfs/dbraw/zinc/87/52/46/210875246.db2.gz CXNMXKKPVUDTQH-LLVKDONJSA-N 0 0 376.113 4.419 10 0 GIAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccc(Br)cn1 ZINC000040779717 210794364 /nfs/dbraw/zinc/79/43/64/210794364.db2.gz UIRTXWOHLMBYBK-UHFFFAOYSA-N 0 0 391.660 4.357 10 0 GIAERN CC[C@H](C(=O)Nc1ccc2c(c1)CN(C1CC1)C(=O)[C@@H](C)O2)c1ccccc1 ZINC000035883256 210699953 /nfs/dbraw/zinc/69/99/53/210699953.db2.gz YRDRRTQMWYDTMY-QRWLVFNGSA-N 0 0 378.472 4.091 10 0 GIAERN CCOC(=O)CCC(=O)N1CCS[C@@H]1c1ccccc1OCc1ccccc1 ZINC000035816720 210698104 /nfs/dbraw/zinc/69/81/04/210698104.db2.gz CAUKFHNYRXXORQ-JOCHJYFZSA-N 0 0 399.512 4.183 10 0 GIAERN CCOC(=O)c1c(NC(=O)/C=C\c2ccc(OC)cc2)sc2c1CCCC2 ZINC000033339316 210644710 /nfs/dbraw/zinc/64/47/10/210644710.db2.gz JZBGKDALHPXLPX-RAXLEYEMSA-N 0 0 385.485 4.464 10 0 GIAERN O=C(NCCc1cccs1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000032954058 210608551 /nfs/dbraw/zinc/60/85/51/210608551.db2.gz MVCZZRXXGOEVAG-UHFFFAOYSA-N 0 0 375.453 4.438 10 0 GIAERN COc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000032611993 210578460 /nfs/dbraw/zinc/57/84/60/210578460.db2.gz YSKJITSAJXXJGS-UHFFFAOYSA-N 0 0 375.837 4.129 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000030546426 210554522 /nfs/dbraw/zinc/55/45/22/210554522.db2.gz YRVNUVZPPMFKDE-KRWDZBQOSA-N 0 0 387.524 4.263 10 0 GIAERN O=C(CCC(=O)N1Cc2cccn2-c2ccccc21)NCc1ccccc1Cl ZINC000021663614 210389608 /nfs/dbraw/zinc/38/96/08/210389608.db2.gz QUUPDDSWXMQYPQ-UHFFFAOYSA-N 0 0 393.874 4.074 10 0 GIAERN CCOc1ccc(CNC(=O)C[C@@H](c2ccc(C)cc2)n2cccc2)cc1OC ZINC000020997985 210372031 /nfs/dbraw/zinc/37/20/31/210372031.db2.gz CZSIUALGUNCGDG-NRFANRHFSA-N 0 0 392.499 4.500 10 0 GIAERN CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O ZINC000020371652 210330631 /nfs/dbraw/zinc/33/06/31/210330631.db2.gz LRFXSQBQYFVOJZ-AWEZNQCLSA-N 0 0 387.277 4.003 10 0 GIAERN COc1ccccc1N1CCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1 ZINC000060230315 136155809 /nfs/dbraw/zinc/15/58/09/136155809.db2.gz ZPSHPZXNHIREIH-UHFFFAOYSA-N 0 0 381.451 4.120 10 0 GIAERN Cc1ccc2c(c1)OC[C@H](CC(=O)Nc1nccs1)N2Cc1ccc(F)cc1 ZINC000096323005 136186654 /nfs/dbraw/zinc/18/66/54/136186654.db2.gz WCWZDSKLYNBJCC-KRWDZBQOSA-N 0 0 397.475 4.387 10 0 GIAERN Nc1n[nH]c2cccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)c12 ZINC000169350207 136197249 /nfs/dbraw/zinc/19/72/49/136197249.db2.gz DZTDIEVKRWPYNO-UHFFFAOYSA-N 0 0 385.427 4.243 10 0 GIAERN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000224354880 136206893 /nfs/dbraw/zinc/20/68/93/136206893.db2.gz DMFPGHRPTUGACB-UHFFFAOYSA-N 0 0 381.524 4.083 10 0 GIAERN COc1ccc(-c2cc(=O)[nH]c(NCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000057341860 523087966 /nfs/dbraw/zinc/08/79/66/523087966.db2.gz DDCMQFDSRHBRCL-UHFFFAOYSA-N 0 0 375.350 4.076 10 0 GIAERN Cc1cc(Br)ccc1NC(=O)Cn1c(Cl)nc2ccccc21 ZINC000228994172 526171312 /nfs/dbraw/zinc/17/13/12/526171312.db2.gz NKBQOWQGEXYBTR-UHFFFAOYSA-N 0 0 378.657 4.399 10 0 GIAERN CC(C)(C)OC(=O)NCCc1cn(C(=O)OC(C)(C)C)c2ccc(O)cc12 ZINC000309951974 526466718 /nfs/dbraw/zinc/46/67/18/526466718.db2.gz OIDYOEXQSBWWOC-UHFFFAOYSA-N 0 0 376.453 4.197 10 0 GIAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000073680695 526564255 /nfs/dbraw/zinc/56/42/55/526564255.db2.gz NGFOYOUWAKGKLT-AWEZNQCLSA-N 0 0 379.382 4.080 10 0 GIAERN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3ccccc3F)CCO2)cc1 ZINC000034691260 570296119 /nfs/dbraw/zinc/29/61/19/570296119.db2.gz MFVIIJKNOHRAHL-JOCHJYFZSA-N 0 0 398.522 4.133 10 0 GIAERN Cc1cc2[nH]c3c(c2cc1C)C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)CC3 ZINC000022672528 570501222 /nfs/dbraw/zinc/50/12/22/570501222.db2.gz BQXUOQFSRZGJQG-KRWDZBQOSA-N 0 0 390.483 4.120 10 0 GIAERN COCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)c1ccc(OC)cc1 ZINC000036011948 570509106 /nfs/dbraw/zinc/50/91/06/570509106.db2.gz HXDTYENSZMTDMO-UHFFFAOYSA-N 0 0 394.471 4.256 10 0 GIAERN Cc1c(C2=CCN(S(C)(=O)=O)CC2)c2ccccc2n1Cc1cccc(F)c1 ZINC000035421278 570552538 /nfs/dbraw/zinc/55/25/38/570552538.db2.gz CJUHTFXETRVALY-UHFFFAOYSA-N 0 0 398.503 4.186 10 0 GIAERN CC1=C(C(=O)Nc2cccc(C(=O)NC[C@H](C)c3ccccc3)c2)SCCO1 ZINC000006895023 570692425 /nfs/dbraw/zinc/69/24/25/570692425.db2.gz ZSQZDCCTENQZSL-HNNXBMFYSA-N 0 0 396.512 4.154 10 0 GIAERN COc1ccc(Cl)cc1NC(=O)N(C)CCc1noc(-c2ccccc2)n1 ZINC000064839774 570874029 /nfs/dbraw/zinc/87/40/29/570874029.db2.gz RVIJZKSWACJZRX-UHFFFAOYSA-N 0 0 386.839 4.105 10 0 GIAERN CCc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)cc1 ZINC000226243591 570935725 /nfs/dbraw/zinc/93/57/25/570935725.db2.gz FCSNVAMUEPYDKW-UHFFFAOYSA-N 0 0 393.306 4.152 10 0 GIAERN COCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccnc1 ZINC000017888496 210211721 /nfs/dbraw/zinc/21/17/21/210211721.db2.gz BIWRARHVOZJWIM-JZJYNLBNSA-N 0 0 390.306 4.253 10 0 GIAERN COc1cccc(-c2noc(Nc3cc(Cl)c(OC)cc3OC)n2)c1OC ZINC000015770816 210167786 /nfs/dbraw/zinc/16/77/86/210167786.db2.gz KPUGBVQHMKNJNR-UHFFFAOYSA-N 0 0 391.811 4.168 10 0 GIAERN CCc1noc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000015064159 210146551 /nfs/dbraw/zinc/14/65/51/210146551.db2.gz GMOKPJCTTFXCOU-SFHVURJKSA-N 0 0 378.476 4.175 10 0 GIAERN CCCC(=O)NC[C@H]1Cc2cc(-c3cc(OC)ccc3OC)cc(Cl)c2O1 ZINC000014993211 210140180 /nfs/dbraw/zinc/14/01/80/210140180.db2.gz ITZJPYKVXNFWGB-MRXNPFEDSA-N 0 0 389.879 4.244 10 0 GIAERN CCCCc1nc2cc(C(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)ccc2o1 ZINC000014980052 210139525 /nfs/dbraw/zinc/13/95/25/210139525.db2.gz MRBFIDRHNYLTAU-QGZVFWFLSA-N 0 0 391.471 4.301 10 0 GIAERN O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cccs1 ZINC000014980750 210139291 /nfs/dbraw/zinc/13/92/91/210139291.db2.gz VUBPBKFBKGOTSX-OAQYLSRUSA-N 0 0 378.497 4.000 10 0 GIAERN Cc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccc4cc[nH]c4c2)O3)nc1 ZINC000011842152 209888174 /nfs/dbraw/zinc/88/81/74/209888174.db2.gz XFMIJIFULPLHLC-HXUWFJFHSA-N 0 0 383.451 4.272 10 0 GIAERN C[C@@H](c1ccccc1)N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=S ZINC000009973119 209850864 /nfs/dbraw/zinc/85/08/64/209850864.db2.gz RROBISCIWDYEMB-IQUTYRLHSA-N 0 0 375.497 4.344 10 0 GIAERN Cc1ccccc1NC(=O)CN1c2cccnc2Sc2ccccc2C1=O ZINC000006797009 209686700 /nfs/dbraw/zinc/68/67/00/209686700.db2.gz DAIPXIGRGHFERA-UHFFFAOYSA-N 0 0 375.453 4.140 10 0 GIAERN CCO[C@H]1[C@H](Cn2nnc3ccccc32)C(c2ccccc2)=NN1c1ccccc1 ZINC000005335707 209588132 /nfs/dbraw/zinc/58/81/32/209588132.db2.gz FSRMOYSIAYRTFA-YKSBVNFPSA-N 0 0 397.482 4.335 10 0 GIAERN Cc1sc2nc3c(C(=O)NCc4ccccc4Cl)cccn3c(=O)c2c1C ZINC000004877699 209537174 /nfs/dbraw/zinc/53/71/74/209537174.db2.gz OUEXMXBLVLNEIQ-UHFFFAOYSA-N 0 0 397.887 4.109 10 0 GIAERN CCOC(=O)c1sc(NC(=O)Nc2ccccc2)c(C(=O)OCC)c1C ZINC000003070223 209409841 /nfs/dbraw/zinc/40/98/41/209409841.db2.gz RNWFODXCEGKKPP-UHFFFAOYSA-N 0 0 376.434 4.054 10 0 GIAERN Cn1c(SCC(=O)c2ccccc2)nnc1-c1cc(Cl)nc(Cl)c1 ZINC000002570650 209369450 /nfs/dbraw/zinc/36/94/50/209369450.db2.gz XEBFYBVTEFRKHU-UHFFFAOYSA-N 0 0 379.272 4.159 10 0 GIAERN CCCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 ZINC000001904252 209342197 /nfs/dbraw/zinc/34/21/97/209342197.db2.gz QNQLCMVOKFLRHX-UHFFFAOYSA-N 0 0 387.501 4.384 10 0 GIAERN CN(C)/C=C(\C(=O)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000001396972 209326125 /nfs/dbraw/zinc/32/61/25/209326125.db2.gz XAKZTZXOKGOGQC-LFIBNONCSA-N 0 0 384.284 4.053 10 0 GIAERN CC(C)(C)c1ccc([C@H]2OC(=O)c3cc(I)ccc32)o1 ZINC000090560852 209237312 /nfs/dbraw/zinc/23/73/12/209237312.db2.gz IJSQGVMHVQEPHW-AWEZNQCLSA-N 0 0 382.197 4.442 10 0 GIAERN CCCC1=Nc2ncnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OCC ZINC000017077899 209234667 /nfs/dbraw/zinc/23/46/67/209234667.db2.gz ZFEKZRPIZKTSPZ-HNNXBMFYSA-N 0 0 381.263 4.217 10 0 GIAERN C[C@H](c1cc(NC(=N)N2CCOCC2)on1)c1ccc(-c2ccccc2)c(F)c1 ZINC000004423231 209230848 /nfs/dbraw/zinc/23/08/48/209230848.db2.gz MYTIJGWONQOOLC-HNNXBMFYSA-N 0 0 394.450 4.311 10 0 investigational GIAERN Fc1c(F)c(F)c(N2CCN(c3ccc(-n4cccc4)cc3)CC2)c(F)c1F ZINC000226245816 209188533 /nfs/dbraw/zinc/18/85/33/209188533.db2.gz DUOOGZZVUROPDW-UHFFFAOYSA-N 0 0 393.359 4.499 10 0 GIAERN COc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1OC ZINC000226272207 209188239 /nfs/dbraw/zinc/18/82/39/209188239.db2.gz WPCMUVAMAHKRLV-UHFFFAOYSA-N 0 0 380.322 4.037 10 0 GIAERN Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226264134 209187381 /nfs/dbraw/zinc/18/73/81/209187381.db2.gz MKLLIPUVTGKIRQ-UHFFFAOYSA-N 0 0 387.483 4.333 10 0 GIAERN COc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1OC ZINC000226272223 209187349 /nfs/dbraw/zinc/18/73/49/209187349.db2.gz FWEONBCRFIJDHF-UHFFFAOYSA-N 0 0 380.322 4.321 10 0 GIAERN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(Cl)cc2-n2cccc2)CC1 ZINC000226246204 209186791 /nfs/dbraw/zinc/18/67/91/209186791.db2.gz CCZCRNISLSLGNA-DHZHZOJOSA-N 0 0 391.902 4.493 10 0 GIAERN [NH3+]CCCCCCC[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000090609424 212060296 /nfs/dbraw/zinc/06/02/96/212060296.db2.gz NDOUOSSGTBUWBN-NRFANRHFSA-N 0 0 395.499 4.342 10 0 GIAERN COc1cccc(Cn2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)cn2)c1 ZINC000028239162 211885214 /nfs/dbraw/zinc/88/52/14/211885214.db2.gz KLVMFYTTXBUJRO-UHFFFAOYSA-N 0 0 393.487 4.255 10 0 GIAERN CN(Cc1ccnn1C)C(=O)c1ccc(COc2cccc3ccccc32)o1 ZINC000028230082 211882891 /nfs/dbraw/zinc/88/28/91/211882891.db2.gz NFVROUMGEGPMTJ-UHFFFAOYSA-N 0 0 375.428 4.018 10 0 GIAERN O=C(Nc1nc2ccccc2s1)c1ccc(COc2ccc3c(c2)OCO3)o1 ZINC000028223658 211879012 /nfs/dbraw/zinc/87/90/12/211879012.db2.gz SNZFCYWAHKOUFQ-UHFFFAOYSA-N 0 0 394.408 4.449 10 0 GIAERN CCn1cc(Br)c(C(=O)Nc2ccccc2C(=O)c2ccccc2)n1 ZINC000027971457 211864548 /nfs/dbraw/zinc/86/45/48/211864548.db2.gz XLOCJDRVNZBBQX-UHFFFAOYSA-N 0 0 398.260 4.149 10 0 GIAERN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000027974295 211866264 /nfs/dbraw/zinc/86/62/64/211866264.db2.gz MIQTZNJOZGZIEW-MRXNPFEDSA-N 0 0 375.424 4.412 10 0 GIAERN CCN(CC)P(=O)(/C(=C/F)NC(=O)C(Cl)(Cl)Cl)N(CC)CC ZINC000026840944 211843017 /nfs/dbraw/zinc/84/30/17/211843017.db2.gz FLPXRJUIENAHQV-MDZDMXLPSA-N 0 0 396.658 4.118 10 0 GIAERN COc1ccc(Nc2nc(-c3ccc4n[nH]cc4c3)cn3ccnc23)cc1OC ZINC000147255349 211497826 /nfs/dbraw/zinc/49/78/26/211497826.db2.gz IKNAMAHGVHNATR-UHFFFAOYSA-N 0 0 386.415 4.033 10 0 GIAERN COc1cc2ncnc(Oc3ccc(Br)cc3F)c2cc1OC ZINC000143086544 211495092 /nfs/dbraw/zinc/49/50/92/211495092.db2.gz INXNUWNMTQBJIC-UHFFFAOYSA-N 0 0 379.185 4.341 10 0 GIAERN COC(=O)/C=C/c1cc(Cl)c(OCc2cccnc2)c(Br)c1 ZINC000226341731 211482428 /nfs/dbraw/zinc/48/24/28/211482428.db2.gz FTHXQDHPGNORND-SNAWJCMRSA-N 0 0 382.641 4.263 10 0 GIAERN CCOC(=O)c1cc(Cl)c(OC(=O)c2ccc(OC)cc2)c(OCC)c1 ZINC000226307336 211479539 /nfs/dbraw/zinc/47/95/39/211479539.db2.gz TWFGKUDTWGCTBJ-UHFFFAOYSA-N 0 0 378.808 4.143 10 0 GIAERN COc1cc2c(cc1OC)C(=O)[C@H](/C=C1\C=CN(Cc3ccccc3)CC1)C2 ZINC000100358002 211386612 /nfs/dbraw/zinc/38/66/12/211386612.db2.gz FPYFEKPOEKQALJ-KEWOFRHOSA-N 0 0 375.468 4.405 10 0 GIAERN COc1cc2c(cc1OC)C(=O)[C@H](/C=C1/C=CN(Cc3ccccc3)CC1)C2 ZINC000100358005 211385542 /nfs/dbraw/zinc/38/55/42/211385542.db2.gz FPYFEKPOEKQALJ-MJLBXUHQSA-N 0 0 375.468 4.405 10 0 GIAERN CCOc1ccccc1C(=O)Nc1n[nH]c(C)c1-c1ccc(OC)c(OC)c1 ZINC000096398962 211340883 /nfs/dbraw/zinc/34/08/83/211340883.db2.gz VBXYMEKZOLWWAM-UHFFFAOYSA-N 0 0 381.432 4.053 10 0 GIAERN O=C(Nc1ccccc1Cl)[C@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000096309936 211332959 /nfs/dbraw/zinc/33/29/59/211332959.db2.gz QSNSLFVYVSTFQY-QGZVFWFLSA-N 0 0 397.906 4.396 10 0 GIAERN Cc1oc(-c2ccc(NC(=O)Cc3ccsc3)cc2)nc1Cn1cccn1 ZINC000096397186 211340022 /nfs/dbraw/zinc/34/00/22/211340022.db2.gz IASNATFFVAMJCX-UHFFFAOYSA-N 0 0 378.457 4.138 10 0 GIAERN O=S(=O)(CCc1ccc(Cl)cc1F)CCc1ccc(Cl)cc1F ZINC000095932720 211284575 /nfs/dbraw/zinc/28/45/75/211284575.db2.gz USUDMVKZMHXQLJ-UHFFFAOYSA-N 0 0 379.255 4.472 10 0 GIAERN CC(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088132 211220404 /nfs/dbraw/zinc/22/04/04/211220404.db2.gz BWKMFVYABGHFLM-KRWDZBQOSA-N 0 0 378.488 4.210 10 0 GIAERN CC(C)N(Cc1ccccc1F)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088162 211220537 /nfs/dbraw/zinc/22/05/37/211220537.db2.gz RKPRERDNALIQEO-SFHVURJKSA-N 0 0 378.488 4.352 10 0 GIAERN CSc1nc(Cl)cc(N(C)C[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095076643 211218952 /nfs/dbraw/zinc/21/89/52/211218952.db2.gz SMKAGOINHGMGEZ-GFCCVEGCSA-N 0 0 386.949 4.078 10 0 GIAERN CC(=O)c1nc2ccccc2n1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095082693 211219087 /nfs/dbraw/zinc/21/90/87/211219087.db2.gz XJDVKTAOCXKISK-SFHVURJKSA-N 0 0 377.444 4.213 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc3ccccc3nc2NC2CC2)C1 ZINC000095084468 211218915 /nfs/dbraw/zinc/21/89/15/211218915.db2.gz NKVIZBIYCBTIOZ-HNNXBMFYSA-N 0 0 383.496 4.016 10 0 GIAERN COc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000072412566 211114567 /nfs/dbraw/zinc/11/45/67/211114567.db2.gz ZJGVRTUMQUFUOX-QGZVFWFLSA-N 0 0 385.876 4.129 10 0 GIAERN O=C(Nc1ccc2c(c1)NC(=O)C[C@H]2c1cccc2[nH]ccc21)c1cccnc1 ZINC000067676607 211014154 /nfs/dbraw/zinc/01/41/54/211014154.db2.gz QPCZEOJDMQKHEV-IBGZPJMESA-N 0 0 382.423 4.289 10 0 GIAERN CCCC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)CO2 ZINC000065081815 210965156 /nfs/dbraw/zinc/96/51/56/210965156.db2.gz VMCXXQMJRZVVQZ-YLJYHZDGSA-N 0 0 394.515 4.114 10 0 GIAERN COc1ccc(Nc2ncnc(Nc3nc4ccc(C)cc4s3)c2N)cc1 ZINC000040782558 210795384 /nfs/dbraw/zinc/79/53/84/210795384.db2.gz WORKCYHZRBOUIT-UHFFFAOYSA-N 0 0 378.461 4.473 10 0 GIAERN COc1ccccc1Nc1ncnc(Oc2ccc(Br)cc2)c1N ZINC000040781607 210794692 /nfs/dbraw/zinc/79/46/92/210794692.db2.gz NMIHKBMDJNXAAP-UHFFFAOYSA-N 0 0 387.237 4.366 10 0 GIAERN COCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)C(C)C ZINC000040403490 210787412 /nfs/dbraw/zinc/78/74/12/210787412.db2.gz PSNNEGLYOKRBQF-UHFFFAOYSA-N 0 0 390.549 4.278 10 0 GIAERN Cc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794476 210666840 /nfs/dbraw/zinc/66/68/40/210666840.db2.gz ZNGRQWFXFUPONP-UHFFFAOYSA-N 0 0 389.333 4.385 10 0 GIAERN COC(=O)c1ccc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000023329931 210440874 /nfs/dbraw/zinc/44/08/74/210440874.db2.gz ALNSKCBUDIRVHT-JOCHJYFZSA-N 0 0 389.426 4.400 10 0 GIAERN Nc1ccc2c(c1)N(C(=O)c1ccc(Br)cc1Cl)CCS2 ZINC000038051292 210425066 /nfs/dbraw/zinc/42/50/66/210425066.db2.gz FFALAZDIUNLZNM-UHFFFAOYSA-N 0 0 383.698 4.437 10 0 GIAERN Cc1ccc2cc(CN(C(=O)Cc3ccsc3)C3CC3)c(N(C)C)nc2c1 ZINC000020600913 210351388 /nfs/dbraw/zinc/35/13/88/210351388.db2.gz HBFAFRVFLRWTGE-UHFFFAOYSA-N 0 0 379.529 4.404 10 0 GIAERN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)[C@@H](C)c1ccon1 ZINC000011838449 221130379 /nfs/dbraw/zinc/13/03/79/221130379.db2.gz QQHACMWCFMOGCS-JTQLQIEISA-N 0 0 375.812 4.213 10 0 GIAERN CCCN(CCC)C(=O)[C@@H]1CCCN(c2ccnc(-c3ccc(C)cc3)n2)C1 ZINC000064928975 136158185 /nfs/dbraw/zinc/15/81/85/136158185.db2.gz PRBQEOGXBVPRNL-HXUWFJFHSA-N 0 0 380.536 4.317 10 0 GIAERN Cc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1Cl ZINC000224144299 136206380 /nfs/dbraw/zinc/20/63/80/136206380.db2.gz ZRXFVVXMCXIXKF-UHFFFAOYSA-N 0 0 388.903 4.139 10 0 GIAERN CC(C)c1noc([C@H](Nc2ncnc3cc(Cl)ccc32)C2CCOCC2)n1 ZINC000275536757 519911905 /nfs/dbraw/zinc/91/19/05/519911905.db2.gz ZGVOLNVBTDKQQX-MRXNPFEDSA-N 0 0 387.871 4.369 10 0 GIAERN COc1cccc(-c2cc(=O)[nH]c(NCc3ccccc3C(F)(F)F)n2)c1 ZINC000057341713 525699051 /nfs/dbraw/zinc/69/90/51/525699051.db2.gz SEKKJAAIURWEQY-UHFFFAOYSA-N 0 0 375.350 4.076 10 0 GIAERN O=C1CCN(c2cc(-c3ccccn3)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000073679042 526988396 /nfs/dbraw/zinc/98/83/96/526988396.db2.gz HQOMRVRHMHLGLB-UHFFFAOYSA-N 0 0 398.388 4.394 10 0 GIAERN O=c1c2cc(Cl)ccc2[n-]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000073659603 527460205 /nfs/dbraw/zinc/46/02/05/527460205.db2.gz DPUFPKCQZIRNCT-UHFFFAOYSA-N 0 0 385.920 4.176 10 0 GIAERN CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)OCc1ccccc1 ZINC000504619685 528012870 /nfs/dbraw/zinc/01/28/70/528012870.db2.gz WNKAZEBODVQDJS-PXNSSMCTSA-N 0 0 375.509 4.000 10 0 GIAERN COc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(C)cc2N)cc1OC ZINC000226331415 536776436 /nfs/dbraw/zinc/77/64/36/536776436.db2.gz XKBCBFYRIKXVSY-OAHLLOKOSA-N 0 0 383.492 4.226 10 0 GIAERN CC(=O)OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 ZINC000022047004 570303265 /nfs/dbraw/zinc/30/32/65/570303265.db2.gz YEVFNJFFUSOLDK-UHFFFAOYSA-N 0 0 383.810 4.079 10 0 in-vitro GIAERN CCOC(=O)c1ccccc1NCn1nc(-c2ccccc2OC)oc1=S ZINC000003165749 570331149 /nfs/dbraw/zinc/33/11/49/570331149.db2.gz QFLLVAASKIOCTC-UHFFFAOYSA-N 0 0 385.445 4.127 10 0 GIAERN CCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)Nc1ccccc1OC ZINC000034796598 570338252 /nfs/dbraw/zinc/33/82/52/570338252.db2.gz XPKMODREXOQQFJ-UHFFFAOYSA-N 0 0 380.404 4.020 10 0 GIAERN COC(=O)c1sc2nc(Cc3ccc(OC)c(OC)c3)nc(Cl)c2c1C ZINC000003887733 570353532 /nfs/dbraw/zinc/35/35/32/570353532.db2.gz GZSRFMMCIVKMGB-UHFFFAOYSA-N 0 0 392.864 4.048 10 0 GIAERN O=C1c2ccccc2[C@H](Nc2ccc3c(c2)OCCO3)N1c1ccc(Cl)cn1 ZINC000004960892 570382676 /nfs/dbraw/zinc/38/26/76/570382676.db2.gz QVDGVUOMFLHDLE-HXUWFJFHSA-N 0 0 393.830 4.277 10 0 aggregator GIAERN CC(C)(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104224 570540916 /nfs/dbraw/zinc/54/09/16/570540916.db2.gz IRPQHWUZJAVUIQ-IBGZPJMESA-N 0 0 381.438 4.282 10 0 GIAERN COCc1ccc(CN2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)o1 ZINC000012162236 570618937 /nfs/dbraw/zinc/61/89/37/570618937.db2.gz DBKFGQCHKYNZTN-HSZRJFAPSA-N 0 0 393.483 4.097 10 0 GIAERN O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCCN(Cc2nccs2)C1 ZINC000012386908 570625764 /nfs/dbraw/zinc/62/57/64/570625764.db2.gz BSESUMKIQSOAGD-OAHLLOKOSA-N 0 0 384.530 4.117 10 0 GIAERN Cc1csc([C@H](C)NC(=O)c2coc(COc3ccc4ncccc4c3)n2)n1 ZINC000012306022 570638789 /nfs/dbraw/zinc/63/87/89/570638789.db2.gz BJZGPFLMEDOCIP-ZDUSSCGKSA-N 0 0 394.456 4.058 10 0 GIAERN COc1cccc([C@@H](O)Cn2cc(Br)c(-c3ccc(F)cc3)n2)c1 ZINC000152341850 570645252 /nfs/dbraw/zinc/64/52/52/570645252.db2.gz KOUCKVFLUQSHNY-KRWDZBQOSA-N 0 0 391.240 4.194 10 0 GIAERN CC(C)[C@@H]1Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2NC1=O ZINC000006919945 570704556 /nfs/dbraw/zinc/70/45/56/570704556.db2.gz CSASSZIALUBYHW-QFIPXVFZSA-N 0 0 391.515 4.170 10 0 GIAERN Cc1cc(F)ccc1NC(=O)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272906 570779210 /nfs/dbraw/zinc/77/92/10/570779210.db2.gz RYACHOSCZCLCER-CQSZACIVSA-N 0 0 386.492 4.175 10 0 GIAERN O=C(c1cc2sc(Br)cc2n1C[C@H]1CCCCO1)N1CCCC1 ZINC000037542520 571028851 /nfs/dbraw/zinc/02/88/51/571028851.db2.gz BYOXTZWXPKRBOK-GFCCVEGCSA-N 0 0 397.338 4.270 10 0 GIAERN CCc1cccc(NC(=O)c2cnc(NCc3cccc(OC)c3)nc2C)c1 ZINC000015778213 210169736 /nfs/dbraw/zinc/16/97/36/210169736.db2.gz ZBJRWLDTRRTCTN-UHFFFAOYSA-N 0 0 376.460 4.220 10 0 GIAERN O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015739608 210167159 /nfs/dbraw/zinc/16/71/59/210167159.db2.gz VCTVCFYQLRRAIY-UHFFFAOYSA-N 0 0 391.176 4.381 10 0 GIAERN CCc1noc(C)c1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000015064158 210145759 /nfs/dbraw/zinc/14/57/59/210145759.db2.gz GMOKPJCTTFXCOU-GOSISDBHSA-N 0 0 378.476 4.175 10 0 GIAERN Cc1ncoc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000014967872 210135937 /nfs/dbraw/zinc/13/59/37/210135937.db2.gz QSQODYSBELEHGX-SFHVURJKSA-N 0 0 378.476 4.274 10 0 GIAERN COc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000013671633 210077434 /nfs/dbraw/zinc/07/74/34/210077434.db2.gz HLZMYWLMBBLASX-UHFFFAOYSA-N 0 0 384.435 4.087 10 0 in-vivo GIAERN CC(C)(C)C1CCC(C(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000012791420 210009531 /nfs/dbraw/zinc/00/95/31/210009531.db2.gz IJQFJDDBGXBPAR-SOAGJPPSSA-N 0 0 389.561 4.178 10 0 GIAERN CC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)C2(C)CC2)C3)s1 ZINC000012155233 209915355 /nfs/dbraw/zinc/91/53/55/209915355.db2.gz UCXKCWNKIPVAQH-CQSZACIVSA-N 0 0 389.904 4.491 10 0 GIAERN CC1CCC(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1 ZINC000006808427 209690917 /nfs/dbraw/zinc/69/09/17/209690917.db2.gz LYBOZYMNONDKFY-UHFFFAOYSA-N 0 0 375.515 4.011 10 0 GIAERN CCOc1ccc(OCC)c(NC(=O)[C@H](C)n2sc3ccccc3c2=O)c1 ZINC000006799987 209688194 /nfs/dbraw/zinc/68/81/94/209688194.db2.gz DZWAWQWDJTZRFF-ZDUSSCGKSA-N 0 0 386.473 4.060 10 0 GIAERN COCOc1cc2c(cc1C=O)[C@H]1CC[C@]3(C)[C@@H](OCOC)CC[C@H]3[C@H]1CC2 ZINC000006795907 209687108 /nfs/dbraw/zinc/68/71/08/209687108.db2.gz PGRCGHQMTWFDPC-XMFZQDBWSA-N 0 0 388.504 4.327 10 0 GIAERN CCOC(=O)c1c(NC(=S)NC(=O)C2CCCCC2)sc2c1CCCC2 ZINC000006595175 209659897 /nfs/dbraw/zinc/65/98/97/209659897.db2.gz YXXLFYYDDSLOTR-UHFFFAOYSA-N 0 0 394.562 4.197 10 0 GIAERN CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)cc1 ZINC000005125126 209572904 /nfs/dbraw/zinc/57/29/04/209572904.db2.gz ZHAVZSLGALCHPM-BZNIZROVSA-N 0 0 395.297 4.056 10 0 GIAERN COc1ccc(Cn2c(SCc3cccnc3)nc3ccsc3c2=O)cc1 ZINC000002908636 209396538 /nfs/dbraw/zinc/39/65/38/209396538.db2.gz AQCVTUZZTLVJHX-UHFFFAOYSA-N 0 0 395.509 4.202 10 0 GIAERN Cn1c(Cn2cnc(Cl)c2Cl)nnc1SCc1ccc(Cl)cc1 ZINC000002158526 209348349 /nfs/dbraw/zinc/34/83/49/209348349.db2.gz SXNXVTXKXUKWCD-UHFFFAOYSA-N 0 0 388.711 4.312 10 0 GIAERN COc1cc(/C=C/C(=O)Nc2ccccc2C)cc(Br)c1OC ZINC000001983626 209343520 /nfs/dbraw/zinc/34/35/20/209343520.db2.gz CVLKNIAKLLPLDC-CMDGGOBGSA-N 0 0 376.250 4.427 10 0 GIAERN CC(=O)Nc1ccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)cc1 ZINC000028768219 209244497 /nfs/dbraw/zinc/24/44/97/209244497.db2.gz ANERCZQBVFWRPO-UHFFFAOYSA-N 0 0 392.850 4.230 10 0 GIAERN COC(=O)c1cccc(-c2ccc(C=Cc3cc(C(F)(F)F)nc(=O)[nH]3)o2)c1 ZINC000033247077 209243770 /nfs/dbraw/zinc/24/37/70/209243770.db2.gz TVAAUCZVFOFUCD-WAYWQWQTSA-N 0 0 390.317 4.418 10 0 GIAERN CCN1C(=O)/C(=C/C=C2\Oc3ccccc3N2CC)N(c2ccccc2)C1=S ZINC000033953687 209243656 /nfs/dbraw/zinc/24/36/56/209243656.db2.gz JAFSZVFUWRLSPS-WNPPYXCZSA-N 0 0 391.496 4.284 10 0 GIAERN CC(C)(C)O[C@H](Cc1ccccc1)N1CCN(CCC(=O)c2ccccc2)CC1 ZINC000022595680 209237565 /nfs/dbraw/zinc/23/75/65/209237565.db2.gz UZPFIBFKQBQVGP-XMMPIXPASA-N 0 0 394.559 4.261 10 0 GIAERN CC(C)c1nc(CO)n(C[C@H](C)O)c1Sc1cc(Cl)cc(Cl)c1 ZINC000005882321 209231568 /nfs/dbraw/zinc/23/15/68/209231568.db2.gz KRFKEBNRRXEWFY-JTQLQIEISA-N 0 0 375.321 4.338 10 0 GIAERN CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(OC)c(Br)c1 ZINC000226261745 209187809 /nfs/dbraw/zinc/18/78/09/209187809.db2.gz LHXUWYXSOOQWAX-UHFFFAOYSA-N 0 0 392.297 4.138 10 0 GIAERN C[C@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1Br ZINC000226275687 209187503 /nfs/dbraw/zinc/18/75/03/209187503.db2.gz PNYFMAGUFOWJQY-JTQLQIEISA-N 0 0 379.220 4.353 10 0 GIAERN CCOC(=O)c1sc2ncn(Cc3ccc(C(C)(C)C)cc3)c(=O)c2c1C ZINC000003017644 212062668 /nfs/dbraw/zinc/06/26/68/212062668.db2.gz VGMQNSVAXHOSON-UHFFFAOYSA-N 0 0 384.501 4.289 10 0 GIAERN CCOC(=O)[C@H]1c2ccc(Br)cc2CCN1c1ccc(F)cc1 ZINC000002527032 212062063 /nfs/dbraw/zinc/06/20/63/212062063.db2.gz ZAMMVVLIMMMOPC-QGZVFWFLSA-N 0 0 378.241 4.255 10 0 GIAERN COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000077311998 212059660 /nfs/dbraw/zinc/05/96/60/212059660.db2.gz WTAVEKBGEXLMTO-UZVSRGJWSA-N 0 0 392.580 4.176 10 0 in-vitro GIAERN CS(=O)(=O)c1cccc(Oc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000071955217 212056196 /nfs/dbraw/zinc/05/61/96/212056196.db2.gz GCACUHBLLMCRGJ-UHFFFAOYSA-N 0 0 376.437 4.493 10 0 GIAERN Cc1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)n(Cc2ccccc2)n1 ZINC000032647785 211941534 /nfs/dbraw/zinc/94/15/34/211941534.db2.gz KTKPLTACIGTDQG-UHFFFAOYSA-N 0 0 390.443 4.281 10 0 GIAERN Cc1nn(C[C@@H](C)C(=O)NCc2csc(-c3ccccc3)n2)c(C)c1Cl ZINC000028246099 211886291 /nfs/dbraw/zinc/88/62/91/211886291.db2.gz WPWBHAXSKDGDTK-GFCCVEGCSA-N 0 0 388.924 4.229 10 0 GIAERN CCn1cc(Cl)c(C(=O)Nc2ccn(Cc3cccc4ccccc43)n2)n1 ZINC000028237250 211885880 /nfs/dbraw/zinc/88/58/80/211885880.db2.gz VHLAKUZDFHFDTQ-UHFFFAOYSA-N 0 0 379.851 4.207 10 0 GIAERN Cc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)n(C2CCCC2)n1 ZINC000028242002 211884422 /nfs/dbraw/zinc/88/44/22/211884422.db2.gz RJDULOVPKANTFJ-UHFFFAOYSA-N 0 0 381.402 4.038 10 0 GIAERN CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccccn4)c3)no2)cc1 ZINC000028221889 211879152 /nfs/dbraw/zinc/87/91/52/211879152.db2.gz VNFXTSPUCGHFFP-UHFFFAOYSA-N 0 0 386.411 4.450 10 0 GIAERN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000027969830 211863573 /nfs/dbraw/zinc/86/35/73/211863573.db2.gz PKEICDOZLVQOJP-AWEZNQCLSA-N 0 0 396.288 4.285 10 0 GIAERN CCCC[C@@H](CC)C(=O)O[C@@H](C)CNC(=O)[C@H](C)OC(=O)[C@H](CC)CCCC ZINC000100355802 211387606 /nfs/dbraw/zinc/38/76/06/211387606.db2.gz BUFBUWAALXANIF-INDMIFKZSA-N 0 0 399.572 4.399 10 0 GIAERN C[C@H](CN1CCN([C@H](C)O[C@H](C)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000100348699 211386309 /nfs/dbraw/zinc/38/63/09/211386309.db2.gz VVYAVEWLUQGJOG-NJYVYQBISA-N 0 0 380.532 4.247 10 0 GIAERN CC(C)N(Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccc(F)cc1 ZINC000096280074 211329342 /nfs/dbraw/zinc/32/93/42/211329342.db2.gz YTOXUSGMGUGVHM-UHFFFAOYSA-N 0 0 381.451 4.154 10 0 GIAERN Cc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)NCc2ccccn2)cc1 ZINC000096386186 211338697 /nfs/dbraw/zinc/33/86/97/211338697.db2.gz RBCGJNIYYMZKNP-UHFFFAOYSA-N 0 0 382.467 4.232 10 0 GIAERN COC(=O)c1cc2cc(OCc3ccccc3)c(OC)cc2c(OC(C)=O)c1 ZINC000095937557 211284633 /nfs/dbraw/zinc/28/46/33/211284633.db2.gz QSQMGZFLQFRGTI-UHFFFAOYSA-N 0 0 380.396 4.139 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(CN2CCC[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000095929893 211284282 /nfs/dbraw/zinc/28/42/82/211284282.db2.gz BUUGYCGIWFTRJG-FQEVSTJZSA-N 0 0 386.536 4.115 10 0 GIAERN COC(=O)n1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2c1nccc2Cl ZINC000095937076 211283773 /nfs/dbraw/zinc/28/37/73/211283773.db2.gz ZAPADRCKACGDKD-GFCCVEGCSA-N 0 0 393.871 4.419 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1nc2ccccc2nc1N ZINC000095086263 211218958 /nfs/dbraw/zinc/21/89/58/211218958.db2.gz WNBNXIGCOUSHKS-HNNXBMFYSA-N 0 0 386.496 4.161 10 0 GIAERN O[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)C1 ZINC000095078258 211219002 /nfs/dbraw/zinc/21/90/02/211219002.db2.gz XFNBPGPFJSJCHQ-OAHLLOKOSA-N 0 0 376.287 4.353 10 0 GIAERN CSc1nc(Cl)cc(N(C)C[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095076644 211219032 /nfs/dbraw/zinc/21/90/32/211219032.db2.gz SMKAGOINHGMGEZ-LBPRGKRZSA-N 0 0 386.949 4.078 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000095084706 211219055 /nfs/dbraw/zinc/21/90/55/211219055.db2.gz VKZUYKLWNKEYLL-CYBMUJFWSA-N 0 0 387.307 4.257 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(Cc2cccc(Cl)c2)C2CC2)C1 ZINC000095084689 211219140 /nfs/dbraw/zinc/21/91/40/211219140.db2.gz OXUUSSSGQACIDP-INIZCTEOSA-N 0 0 392.927 4.478 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2ccc(Br)nc2)C1 ZINC000095085205 211218882 /nfs/dbraw/zinc/21/88/82/211218882.db2.gz YARJOKIVGYWSRX-AWEZNQCLSA-N 0 0 399.329 4.398 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COCc1ccc(Br)nc1 ZINC000095086681 211218646 /nfs/dbraw/zinc/21/86/46/211218646.db2.gz PGPRNRZICCXOGB-AWEZNQCLSA-N 0 0 385.302 4.150 10 0 GIAERN CC(=O)c1nc2ccccc2n1C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000095082701 211218270 /nfs/dbraw/zinc/21/82/70/211218270.db2.gz IBDYFSVAGCXNMX-IBGZPJMESA-N 0 0 391.471 4.430 10 0 GIAERN CN(c1nc2ccccc2nc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074167 211216819 /nfs/dbraw/zinc/21/68/19/211216819.db2.gz IEHREEYAYVJMRA-ZDUSSCGKSA-N 0 0 376.888 4.119 10 0 GIAERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000095075420 211215979 /nfs/dbraw/zinc/21/59/79/211215979.db2.gz XLDDJHLGZZLOML-NSHDSACASA-N 0 0 393.837 4.447 10 0 GIAERN CC(C)(C)OC(=O)N1CC[C@]2(c3ccc(Br)cc3)CCOC[C@H]12 ZINC000091302700 211190775 /nfs/dbraw/zinc/19/07/75/211190775.db2.gz NSAGYDBVHHRDGG-MAUKXSAKSA-N 0 0 382.298 4.117 10 0 GIAERN CCOC(=O)C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 ZINC000091302141 211189404 /nfs/dbraw/zinc/18/94/04/211189404.db2.gz KJPMMYFUTMQSKY-MRXNPFEDSA-N 0 0 389.492 4.276 10 0 GIAERN CN(C)C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(Oc3cccnc3)c12 ZINC000077379284 211132590 /nfs/dbraw/zinc/13/25/90/211132590.db2.gz BHVTZNUJGNLCFV-UHFFFAOYSA-N 0 0 391.406 4.445 10 0 GIAERN O=c1c2sccc2nc(SCc2cccnc2)n1Cc1ccc(F)cc1 ZINC000071768732 211060951 /nfs/dbraw/zinc/06/09/51/211060951.db2.gz FOCMXUZSTRRKAD-UHFFFAOYSA-N 0 0 383.473 4.333 10 0 GIAERN C[C@H](NC(=O)c1cccc(I)c1)c1ccccc1Cl ZINC000070134231 211040968 /nfs/dbraw/zinc/04/09/68/211040968.db2.gz CHWBQTKJJVQJBS-JTQLQIEISA-N 0 0 385.632 4.436 10 0 GIAERN Cc1ccc(F)c(N2CC[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000037574658 210742642 /nfs/dbraw/zinc/74/26/42/210742642.db2.gz MJBKZVIGXINPND-CQSZACIVSA-N 0 0 380.341 4.145 10 0 GIAERN CCCCN(C)C(=O)C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 ZINC000021654464 210387604 /nfs/dbraw/zinc/38/76/04/210387604.db2.gz WJPXHTNGADEDOO-UHFFFAOYSA-N 0 0 393.531 4.168 10 0 GIAERN CCN1CCN([C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)CC1 ZINC000021538503 210385210 /nfs/dbraw/zinc/38/52/10/210385210.db2.gz JTNHDCWQBNCGFV-IBGZPJMESA-N 0 0 382.895 4.117 10 0 GIAERN Cc1cccc(N2C[C@H](C(=O)Nc3nc(-c4ccccc4)cs3)CC2=O)c1 ZINC000020372745 210331473 /nfs/dbraw/zinc/33/14/73/210331473.db2.gz ROWZOFAYOQHIAI-MRXNPFEDSA-N 0 0 377.469 4.110 10 0 GIAERN O=C(Cc1ccccc1)OCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000003265844 220617285 /nfs/dbraw/zinc/61/72/85/220617285.db2.gz NKSJIIISRGUNKG-UHFFFAOYSA-N 0 0 387.479 4.044 10 0 GIAERN O=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCc2sccc2C1 ZINC000011820948 221129661 /nfs/dbraw/zinc/12/96/61/221129661.db2.gz YKUGJCQLTJAFPK-UHFFFAOYSA-N 0 0 391.452 4.062 10 0 GIAERN COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccccc1Cl ZINC000409416248 533481054 /nfs/dbraw/zinc/48/10/54/533481054.db2.gz RBQYMMMKLRWLAI-SREVYHEPSA-N 0 0 396.668 4.189 10 0 GIAERN Cc1cc2c(nc(-c3cccnc3)nc2N2CCN(c3ccccc3)CC2)s1 ZINC000072260901 136167843 /nfs/dbraw/zinc/16/78/43/136167843.db2.gz JKIGQJRNNPJKRQ-UHFFFAOYSA-N 0 0 387.512 4.388 10 0 GIAERN Cn1c(=O)c(Nc2cccc(Cl)c2)nnc1SCc1ccc(F)cc1 ZINC000028538203 221679839 /nfs/dbraw/zinc/67/98/39/221679839.db2.gz BKFYRWLTZDRCHG-UHFFFAOYSA-N 0 0 376.844 4.004 10 0 GIAERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1nc2ccccc2nc1NC1CC1 ZINC000095087369 534891354 /nfs/dbraw/zinc/89/13/54/534891354.db2.gz MDCJRZZLJXLYDZ-MRXNPFEDSA-N 0 0 397.523 4.088 10 0 GIAERN Clc1nc(N2CCc3ccccc3C2)nc2c1CN(Cc1ccccc1)CC2 ZINC000057345876 527004515 /nfs/dbraw/zinc/00/45/15/527004515.db2.gz ZKPQIIRLKURHEK-UHFFFAOYSA-N 0 0 390.918 4.251 10 0 GIAERN CCCN1c2cccnc2S[C@@H](CC(=O)N[C@H](CC)c2cccs2)C1=O ZINC000065172192 535005481 /nfs/dbraw/zinc/00/54/81/535005481.db2.gz JSMPCWUCAGUUDQ-CJNGLKHVSA-N 0 0 389.546 4.018 10 0 GIAERN CC[C@H](C(=O)Nc1ccc2c(c1)CN(C(C)C)C(=O)[C@H](C)O2)c1ccccc1 ZINC000035873480 570469234 /nfs/dbraw/zinc/46/92/34/570469234.db2.gz DMEQFJAJPCRVKB-JXFKEZNVSA-N 0 0 380.488 4.337 10 0 GIAERN Cc1cc2[nH]c3c(c2cc1C)C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)CC3 ZINC000022672525 570501343 /nfs/dbraw/zinc/50/13/43/570501343.db2.gz BQXUOQFSRZGJQG-QGZVFWFLSA-N 0 0 390.483 4.120 10 0 GIAERN Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1ccc(Br)o1 ZINC000224340347 570509808 /nfs/dbraw/zinc/50/98/08/570509808.db2.gz PQYRVGXIRKVNGL-UHFFFAOYSA-N 0 0 388.221 4.494 10 0 GIAERN CCCN(Cc1cc(NC(=O)CC)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000006708090 570545670 /nfs/dbraw/zinc/54/56/70/570545670.db2.gz RCBUBTRDUACBRD-UHFFFAOYSA-N 0 0 387.549 4.144 10 0 GIAERN O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(Cc2nccs2)C1 ZINC000012386909 570625741 /nfs/dbraw/zinc/62/57/41/570625741.db2.gz BSESUMKIQSOAGD-HNNXBMFYSA-N 0 0 384.530 4.117 10 0 GIAERN CCOc1ccccc1N1CCN(c2nc(Cc3ccc(C)cc3)ns2)CC1 ZINC000004367417 570711536 /nfs/dbraw/zinc/71/15/36/570711536.db2.gz VIESAZMSTKXILU-UHFFFAOYSA-N 0 0 394.544 4.163 10 0 GIAERN CCc1nnc(-c2ccc3ccn(CC(=O)Nc4cc(F)ccc4F)c3c2)o1 ZINC000065137913 570830141 /nfs/dbraw/zinc/83/01/41/570830141.db2.gz NBBUPUOPEJFXEZ-UHFFFAOYSA-N 0 0 382.370 4.171 10 0 GIAERN C=Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc32)c1 ZINC000137200065 570946265 /nfs/dbraw/zinc/94/62/65/570946265.db2.gz LEGOGGMGARYNEO-UHFFFAOYSA-N 0 0 395.459 4.067 10 0 GIAERN COc1ccc(NC(=S)NCc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000017076862 210200902 /nfs/dbraw/zinc/20/09/02/210200902.db2.gz FRAWUMXYOCWKQP-UHFFFAOYSA-N 0 0 375.803 4.249 10 0 GIAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1cccc(F)c1 ZINC000015920643 210180102 /nfs/dbraw/zinc/18/01/02/210180102.db2.gz XMTFMUVHEXFDJR-NRFANRHFSA-N 0 0 379.435 4.106 10 0 GIAERN CCOC(=O)c1c(C)oc2nc(C)nc(Nc3ccc(OC)c(Cl)c3)c21 ZINC000015727331 210164004 /nfs/dbraw/zinc/16/40/04/210164004.db2.gz AZRUEJKSRIFGQB-UHFFFAOYSA-N 0 0 375.812 4.422 10 0 GIAERN CCCCc1nc2cc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)ccc2o1 ZINC000014980054 210138803 /nfs/dbraw/zinc/13/88/03/210138803.db2.gz MRBFIDRHNYLTAU-KRWDZBQOSA-N 0 0 391.471 4.301 10 0 GIAERN O=C(c1ccc2c(c1)OCCO2)N1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000014888684 210129463 /nfs/dbraw/zinc/12/94/63/210129463.db2.gz MECLDTUGQFTZNY-HSZRJFAPSA-N 0 0 387.435 4.234 10 0 GIAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccccc2Br)c1C ZINC000014426012 210116775 /nfs/dbraw/zinc/11/67/75/210116775.db2.gz HEYACIJBCCXWRW-LLVKDONJSA-N 0 0 393.281 4.062 10 0 GIAERN COc1ccc([C@H]2C[C@@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)cc1 ZINC000013132262 210053064 /nfs/dbraw/zinc/05/30/64/210053064.db2.gz LJOWWDFDEBVOHW-CABCVRRESA-N 0 0 390.274 4.322 10 0 aggregator GIAERN COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2Cl)Nc2nc(N)nn21 ZINC000013132286 210054170 /nfs/dbraw/zinc/05/41/70/210054170.db2.gz CTZATOIYPRXEOW-HUUCEWRRSA-N 0 0 390.274 4.322 10 0 GIAERN COC(=O)c1ccccc1Nc1ncnc2sc(C(=O)OC(C)C)c(C)c21 ZINC000012084674 209905610 /nfs/dbraw/zinc/90/56/10/209905610.db2.gz YPSQRIBENZYGDG-UHFFFAOYSA-N 0 0 385.445 4.095 10 0 GIAERN CC1=C(C(=O)Nc2cccc(C(=O)NC[C@@H](C)c3ccccc3)c2)SCCO1 ZINC000006895022 209704926 /nfs/dbraw/zinc/70/49/26/209704926.db2.gz ZSQZDCCTENQZSL-OAHLLOKOSA-N 0 0 396.512 4.154 10 0 GIAERN O=C(Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)cc1F)C1CCC1 ZINC000006705525 209671166 /nfs/dbraw/zinc/67/11/66/209671166.db2.gz TVHRZLLWNRYPHY-FQEVSTJZSA-N 0 0 388.439 4.482 10 0 GIAERN CCOC(=O)[C@H](C)Sc1nnc(C2CC2)n1-c1ccc(Cl)c(Cl)c1 ZINC000004366668 209483853 /nfs/dbraw/zinc/48/38/53/209483853.db2.gz AEJLYKJZJGXRSY-VIFPVBQESA-N 0 0 386.304 4.495 10 0 GIAERN Cc1cc(NC(=O)c2ccco2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000003135926 209413231 /nfs/dbraw/zinc/41/32/31/209413231.db2.gz FTYPVKLZLFSDLS-UHFFFAOYSA-N 0 0 380.787 4.294 10 0 GIAERN Cc1nc2ccc3nc(NC(=O)c4ccc5c(c4)OCCO5)sc3c2s1 ZINC000002483658 209366581 /nfs/dbraw/zinc/36/65/81/209366581.db2.gz IFQFNUKITGLCGT-UHFFFAOYSA-N 0 0 383.454 4.238 10 0 GIAERN Cn1c(Cn2cnc(Cl)c2Cl)nnc1SCc1ccccc1Cl ZINC000002158134 209348215 /nfs/dbraw/zinc/34/82/15/209348215.db2.gz UJXHKTNWEYRWRJ-UHFFFAOYSA-N 0 0 388.711 4.312 10 0 GIAERN COC[C@@H]1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1C ZINC000001999451 209344005 /nfs/dbraw/zinc/34/40/05/209344005.db2.gz WABYCCJHARSRBH-ZDUSSCGKSA-N 0 0 393.712 4.405 10 0 in-man GIAERN CCCCOc1ccc(/C=C/C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1 ZINC000001930402 209342157 /nfs/dbraw/zinc/34/21/57/209342157.db2.gz JIFUXYRZUKGUOG-FMIVXFBMSA-N 0 0 388.489 4.459 10 0 GIAERN CCOC(=O)C(=Cc1cc2c(Cl)ccc(C)c2nc1Cl)C(=O)OCC ZINC000032099794 209243782 /nfs/dbraw/zinc/24/37/82/209243782.db2.gz YWMCGQUNYGKYLI-UHFFFAOYSA-N 0 0 382.243 4.360 10 0 GIAERN CCOC(=O)C(=Cc1cc2ccc(Cl)c(C)c2nc1Cl)C(=O)OCC ZINC000032099796 209243503 /nfs/dbraw/zinc/24/35/03/209243503.db2.gz CKRVAMYBHUAXDV-UHFFFAOYSA-N 0 0 382.243 4.360 10 0 GIAERN O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026009057 209241214 /nfs/dbraw/zinc/24/12/14/209241214.db2.gz BWPJNXXXXDXZIJ-KRWDZBQOSA-N 0 0 396.661 4.009 10 0 GIAERN CCO[C@@H](Cc1ccccc1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000022859869 209238196 /nfs/dbraw/zinc/23/81/96/209238196.db2.gz ZLLFWUHGOOTJPS-DEOSSOPVSA-N 0 0 398.522 4.012 10 0 GIAERN O=C(c1cc(-c2ccncc2)c(N2CCC(=O)CC2)s1)c1ccc(F)cc1 ZINC000090659420 209236732 /nfs/dbraw/zinc/23/67/32/209236732.db2.gz MRNLUNHRLMMKCV-UHFFFAOYSA-N 0 0 380.444 4.350 10 0 GIAERN COC[C@H]1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1 ZINC000005141097 209231135 /nfs/dbraw/zinc/23/11/35/209231135.db2.gz KFWTVKIBHPHOPT-GFCCVEGCSA-N 0 0 379.685 4.380 10 0 GIAERN CCOC(=O)/C(=C\c1ccc2c(c1Br)OCO2)c1ccccc1 ZINC000004523309 209231505 /nfs/dbraw/zinc/23/15/05/209231505.db2.gz DOPZRLLJZDSHBC-UVTDQMKNSA-N 0 0 375.218 4.282 10 0 GIAERN c1nc2c(ncnc2SC(c2ccccc2)c2ccccc2)n1N1CCCC1 ZINC000001719530 209229100 /nfs/dbraw/zinc/22/91/00/209229100.db2.gz LPSCBBXKHTXRER-UHFFFAOYSA-N 0 0 387.512 4.440 10 0 GIAERN COc1cc(-c2coc3c(ccc4c3C=CC(C)(C)O4)c2=O)cc2c1OCO2 ZINC000004716527 209189774 /nfs/dbraw/zinc/18/97/74/209189774.db2.gz FIJFZZZLQKGDMK-UHFFFAOYSA-N 0 0 378.380 4.382 10 0 GIAERN Cc1cc(NC(=O)c2cccc(N)c2C)c(C)cc1I ZINC000226269110 209188038 /nfs/dbraw/zinc/18/80/38/209188038.db2.gz JNVMGZVOLQALOY-UHFFFAOYSA-N 0 0 380.229 4.051 10 0 GIAERN CSc1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)c1 ZINC000035684175 209183166 /nfs/dbraw/zinc/18/31/66/209183166.db2.gz HPGSITGURKLZMI-UHFFFAOYSA-N 0 0 389.278 4.004 10 0 GIAERN COc1cccc(NC(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c1 ZINC000027918096 211861040 /nfs/dbraw/zinc/86/10/40/211861040.db2.gz XZCPEZWCJQOWIP-UHFFFAOYSA-N 0 0 387.237 4.287 10 0 GIAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(N)cc3Br)o2)C1 ZINC000226301656 211480114 /nfs/dbraw/zinc/48/01/14/211480114.db2.gz SGGPDFQYMLRMBQ-VXGBXAGGSA-N 0 0 377.282 4.409 10 0 GIAERN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000226306606 211479896 /nfs/dbraw/zinc/47/98/96/211479896.db2.gz GZRXOTJPQBWZBY-OAHLLOKOSA-N 0 0 383.469 4.023 10 0 GIAERN CCOC(=O)C[C@H]1CC[C@H](c2ccc(-c3cnc4ccnn4c3N)cc2)CC1 ZINC000100468710 211386295 /nfs/dbraw/zinc/38/62/95/211386295.db2.gz BATGLYZLZVBSRR-IYBDPMFKSA-N 0 0 378.476 4.206 10 0 GIAERN CC(C)Cn1c(C(=O)NC[C@@H]2CCCO2)cc2scc(Br)c21 ZINC000096280442 211330352 /nfs/dbraw/zinc/33/03/52/211330352.db2.gz FUUYUWZASLNGTN-NSHDSACASA-N 0 0 385.327 4.030 10 0 GIAERN Brc1cc(I)cnc1OCc1ccccc1 ZINC000095830471 211282400 /nfs/dbraw/zinc/28/24/00/211282400.db2.gz PZCLVVGWQBEDRK-UHFFFAOYSA-N 0 0 390.018 4.028 10 0 GIAERN CC(C)N(Cc1cccc(F)c1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088145 211220507 /nfs/dbraw/zinc/22/05/07/211220507.db2.gz MVYDJVMZPKIMTB-KRWDZBQOSA-N 0 0 378.488 4.210 10 0 GIAERN CC[C@@H](CN(C)C(=O)OCc1ccccc1)n1c2ccccc2nc1C(C)=O ZINC000095089590 211220333 /nfs/dbraw/zinc/22/03/33/211220333.db2.gz QRJNAGGMRZRUBY-SFHVURJKSA-N 0 0 379.460 4.459 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[S@@](=O)c1nc2ccccc2s1 ZINC000095086848 211219453 /nfs/dbraw/zinc/21/94/53/211219453.db2.gz MRGMVUAQYQFSJR-SHZVTRLKSA-N 0 0 380.535 4.194 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOCc1cnc(Cl)nc1Cl ZINC000095086407 211218553 /nfs/dbraw/zinc/21/85/53/211218553.db2.gz LEJVFTDWAKZJQB-ZDUSSCGKSA-N 0 0 390.311 4.480 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOCc2ccnc(Br)c2)C1 ZINC000095085194 211218165 /nfs/dbraw/zinc/21/81/65/211218165.db2.gz DQKDESMDISJCGM-CQSZACIVSA-N 0 0 399.329 4.398 10 0 GIAERN COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000077300802 211129131 /nfs/dbraw/zinc/12/91/31/211129131.db2.gz UVCFPYDWQLDHJI-AQHAYLOVSA-N 0 0 390.564 4.384 10 0 in-vitro GIAERN CCOC(=O)c1sc2nc(C)nc(NCCc3ccc(OC)cc3)c2c1C ZINC000072260918 211083380 /nfs/dbraw/zinc/08/33/80/211083380.db2.gz XBHSQQMZOYTILU-UHFFFAOYSA-N 0 0 385.489 4.148 10 0 GIAERN CCOC(=O)c1sc(SCC)nc1NC(=O)NCc1ccc(C)cc1 ZINC000070451354 211041353 /nfs/dbraw/zinc/04/13/53/211041353.db2.gz PQJQAASRBYWEGR-UHFFFAOYSA-N 0 0 379.507 4.062 10 0 GIAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H](O)C1 ZINC000090715674 211038805 /nfs/dbraw/zinc/03/88/05/211038805.db2.gz FYTOCUHAQHZOGJ-LEWJYISDSA-N 0 0 383.488 4.351 10 0 GIAERN CCOC(=O)c1cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2oc1=O ZINC000040882714 210797147 /nfs/dbraw/zinc/79/71/47/210797147.db2.gz FZLVYHYZLLSEHY-UHFFFAOYSA-N 0 0 394.423 4.486 10 0 GIAERN COc1ccc(Cc2sc(NC(=O)COc3ccc(C)cc3)nc2C)cc1 ZINC000036639479 210732561 /nfs/dbraw/zinc/73/25/61/210732561.db2.gz PVROHPLQZTWDOP-UHFFFAOYSA-N 0 0 382.485 4.377 10 0 GIAERN Cc1ccc(C(=O)N2C[C@@H](C(=O)NCCC(C)C)[C@@H](c3ccccc3C)C2)cc1 ZINC000036055036 210707829 /nfs/dbraw/zinc/70/78/29/210707829.db2.gz CAIUJTZXAOTHNG-DHIUTWEWSA-N 0 0 392.543 4.322 10 0 GIAERN C[C@@H]1C[C@@H](C)CN(CC(=O)c2cc(Br)sc2Br)C1 ZINC000035021916 210675246 /nfs/dbraw/zinc/67/52/46/210675246.db2.gz TYULDYQVYUZOIZ-RKDXNWHRSA-N 0 0 395.160 4.434 10 0 GIAERN Cc1cc(-c2nnc(C)o2)nn1-c1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000023305856 210438650 /nfs/dbraw/zinc/43/86/50/210438650.db2.gz OAHJSNVSLSGXLL-UHFFFAOYSA-N 0 0 391.475 4.159 10 0 GIAERN COc1ccc(NC(=O)c2ccnc(Nc3ccc(OC)c(OC)c3)c2)cc1 ZINC000021881866 210396995 /nfs/dbraw/zinc/39/69/95/210396995.db2.gz ISVZXPLIJRHUHS-UHFFFAOYSA-N 0 0 379.416 4.103 10 0 GIAERN CN(C)c1ccc(Br)cc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000037976191 210395861 /nfs/dbraw/zinc/39/58/61/210395861.db2.gz SWQHLWSRVNCWNL-UHFFFAOYSA-N 0 0 389.080 4.469 10 0 GIAERN Cc1cc(Br)c(NC(=O)c2ccccc2N)c(Br)c1 ZINC000020303839 210327221 /nfs/dbraw/zinc/32/72/21/210327221.db2.gz IJJPISJAKYJCKG-UHFFFAOYSA-N 0 0 384.071 4.355 10 0 GIAERN CC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(Br)cc1F ZINC000002662370 209376797 /nfs/dbraw/zinc/37/67/97/209376797.db2.gz WSPRSSBCKBCSRK-UHFFFAOYSA-N 0 0 385.258 4.477 10 0 GIAERN Cc1ccc(-c2ccc(C(=O)N3CCC(CCC(=O)NC4CC4)CC3)cc2)o1 ZINC000012760648 221226853 /nfs/dbraw/zinc/22/68/53/221226853.db2.gz VDTIVRXDXLJDRV-UHFFFAOYSA-N 0 0 380.488 4.166 10 0 GIAERN COC(=O)[C@H]1CC(=O)CN1c1cccc2c1[C@@H](c1ccccc1)c1ccccc1-2 ZINC000306147381 533372301 /nfs/dbraw/zinc/37/23/01/533372301.db2.gz YFQWZHMUQBJMKW-PKTZIBPZSA-N 0 0 383.447 4.168 10 0 GIAERN O=C(NCCc1ccccc1)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 ZINC000065025760 136158899 /nfs/dbraw/zinc/15/88/99/136158899.db2.gz WYNIUQRUFYZUAT-UHFFFAOYSA-N 0 0 386.499 4.106 10 0 GIAERN COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(C)cc3Br)n2)c1 ZINC000057341438 525698145 /nfs/dbraw/zinc/69/81/45/525698145.db2.gz QLVJZKUHVWAADN-UHFFFAOYSA-N 0 0 386.249 4.260 10 0 GIAERN CC(C)=C/C=C/C(C)=C/C[C@@H](OC(C)=O)C(/C=C/OC(C)=O)=C\OC(C)=O ZINC000004098295 560195472 /nfs/dbraw/zinc/19/54/72/560195472.db2.gz BQBCCTYBKVNOPS-UYSBAHHDSA-N 0 0 376.449 4.301 10 0 in-vitro GIAERN C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000035528926 570393514 /nfs/dbraw/zinc/39/35/14/570393514.db2.gz PIBSRJHNMIHBKS-IBGZPJMESA-N 0 0 393.531 4.458 10 0 GIAERN COc1ccc(-c2nc(CSCC(=O)NCc3ccccc3)c(C)o2)cc1 ZINC000005056647 570407204 /nfs/dbraw/zinc/40/72/04/570407204.db2.gz WLKJQPSFYUQORW-UHFFFAOYSA-N 0 0 382.485 4.208 10 0 GIAERN CC(C)[C@](O)(c1cn[nH]n1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1 ZINC000139920728 570450517 /nfs/dbraw/zinc/45/05/17/570450517.db2.gz ZBRAJOQFSNYJMF-GOSISDBHSA-N 0 0 399.344 4.053 10 0 GIAERN C[C@H](Nc1cc(-c2cnn(C)c2)cc(Nc2cnccn2)n1)c1ccc(F)cc1 ZINC000068245917 570474355 /nfs/dbraw/zinc/47/43/55/570474355.db2.gz UQTPDWDAYHAZNT-AWEZNQCLSA-N 0 0 389.438 4.328 10 0 in-vitro GIAERN CC[C@@H](C)NC(=O)CC1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000064667974 570514270 /nfs/dbraw/zinc/51/42/70/570514270.db2.gz PWVUMLNXRKJCIS-OAHLLOKOSA-N 0 0 399.560 4.276 10 0 GIAERN CCCNC(=O)[C@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1C ZINC000036052327 570523071 /nfs/dbraw/zinc/52/30/71/570523071.db2.gz WAFDXVKBRMEFDV-MOPGFXCFSA-N 0 0 384.907 4.030 10 0 GIAERN CCC(=O)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)[C@@H](C)CC ZINC000036094463 570534335 /nfs/dbraw/zinc/53/43/35/570534335.db2.gz SPRLOZXEJQUNHA-ZDUSSCGKSA-N 0 0 396.940 4.405 10 0 GIAERN Cc1ccc(C(=O)CSc2nnc(NC(=O)c3cccs3)s2)cc1 ZINC000006837073 570639638 /nfs/dbraw/zinc/63/96/38/570639638.db2.gz FBKWVJIWOQTUBM-UHFFFAOYSA-N 0 0 375.500 4.135 10 0 GIAERN CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1Cc1ccco1 ZINC000006918856 570704032 /nfs/dbraw/zinc/70/40/32/570704032.db2.gz PHUIODQPSWDUQV-UHFFFAOYSA-N 0 0 387.511 4.341 10 0 GIAERN O=C(NCCc1ccccc1)c1cc(Br)c(Br)s1 ZINC000016025922 210184043 /nfs/dbraw/zinc/18/40/43/210184043.db2.gz IWUJSTSXFQBNDE-UHFFFAOYSA-N 0 0 389.112 4.246 10 0 GIAERN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NC1CCCC1 ZINC000015736065 210167201 /nfs/dbraw/zinc/16/72/01/210167201.db2.gz UFDOVJOISAOTAN-UHFFFAOYSA-N 0 0 381.501 4.032 10 0 GIAERN C=C1C(Nc2ccc(NC(C)=O)cc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000015672087 210160035 /nfs/dbraw/zinc/16/00/35/210160035.db2.gz FWFZUODZHCSZHI-UHFFFAOYSA-N 0 0 397.500 4.353 10 0 GIAERN CCOC(=O)N1CCC(Nc2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000015129586 210154511 /nfs/dbraw/zinc/15/45/11/210154511.db2.gz STSYMZAHSUIKMT-UHFFFAOYSA-N 0 0 376.460 4.330 10 0 GIAERN CC(=O)N1CCC[C@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1 ZINC000015071211 210147041 /nfs/dbraw/zinc/14/70/41/210147041.db2.gz LXJGSYRJSGNHPZ-KRWDZBQOSA-N 0 0 376.435 4.071 10 0 GIAERN Cc1c(C(=O)N2CCCC2)sc2ncnc(NCCc3ccccc3F)c12 ZINC000014994947 210140811 /nfs/dbraw/zinc/14/08/11/210140811.db2.gz ZYBJZYHEKPFXJZ-UHFFFAOYSA-N 0 0 384.480 4.029 10 0 GIAERN COC(=O)c1ccc2nccc(-c3c4n(nc3-c3cccc(C)n3)CCC4)c2c1 ZINC000014976362 210139563 /nfs/dbraw/zinc/13/95/63/210139563.db2.gz PYUBAZVUCQOMKF-UHFFFAOYSA-N 0 0 384.439 4.202 10 0 GIAERN Cc1ccccc1[C@@H](C)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000014061090 210101102 /nfs/dbraw/zinc/10/11/02/210101102.db2.gz DBOKGCJQXRVLDW-OAHLLOKOSA-N 0 0 379.485 4.124 10 0 GIAERN CCc1noc(C)c1C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 ZINC000012570616 209975524 /nfs/dbraw/zinc/97/55/24/209975524.db2.gz DXMFDHKZRXBAOR-LJQANCHMSA-N 0 0 378.476 4.155 10 0 GIAERN COC[C@@H]1CCCCN1C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000012317235 209938979 /nfs/dbraw/zinc/93/89/79/209938979.db2.gz XOMBPCKRBNESOM-HNNXBMFYSA-N 0 0 389.908 4.357 10 0 GIAERN Cc1ccc(Cn2cc(CCC(=O)NC[C@@H]3CCCO3)c3ccccc32)cc1 ZINC000006858111 209698793 /nfs/dbraw/zinc/69/87/93/209698793.db2.gz CQCGCDFHNCTGDP-NRFANRHFSA-N 0 0 376.500 4.226 10 0 GIAERN CCc1cccc2c([C@H](CC(=O)NCCOC)c3ccccc3OC)c[nH]c21 ZINC000006837240 209694845 /nfs/dbraw/zinc/69/48/45/209694845.db2.gz XPXYWIURHKBPLT-LJQANCHMSA-N 0 0 380.488 4.024 10 0 GIAERN Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)n1 ZINC000006722059 209672883 /nfs/dbraw/zinc/67/28/83/209672883.db2.gz VVJOGNSSGQVYDF-OALUTQOASA-N 0 0 377.469 4.001 10 0 GIAERN CCOC(=O)N1CCN(c2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1 ZINC000005650596 209608635 /nfs/dbraw/zinc/60/86/35/209608635.db2.gz ZJYIVGNBYBGBFS-UHFFFAOYSA-N 0 0 377.444 4.287 10 0 GIAERN CCN(C(=O)Cn1cccc1C1=N[C@H](c2ccccc2)CO1)c1cccc(C)c1 ZINC000004970899 209553624 /nfs/dbraw/zinc/55/36/24/209553624.db2.gz DQDNYRXVVUKQQH-NRFANRHFSA-N 0 0 387.483 4.368 10 0 GIAERN O=C(Nc1ccccc1NC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000001732755 209337057 /nfs/dbraw/zinc/33/70/57/209337057.db2.gz AKEHVLLSLNGYIW-UHFFFAOYSA-N 0 0 398.888 4.304 10 0 GIAERN COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C)cc2)c1 ZINC000001377643 209324663 /nfs/dbraw/zinc/32/46/63/209324663.db2.gz ZWMBYDXJAOWXEA-FRIKZZABSA-N 0 0 378.516 4.319 10 0 GIAERN CN(C)c1cccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)c1 ZINC000028767148 209244393 /nfs/dbraw/zinc/24/43/93/209244393.db2.gz GNTJUPAVKZAMQX-UHFFFAOYSA-N 0 0 378.867 4.338 10 0 GIAERN O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026009051 209241870 /nfs/dbraw/zinc/24/18/70/209241870.db2.gz BWPJNXXXXDXZIJ-QGZVFWFLSA-N 0 0 396.661 4.009 10 0 GIAERN O=C(Nc1nn(-c2cc(F)cc(F)c2)nc1-c1ccccc1)c1ccccc1 ZINC000090557901 209238469 /nfs/dbraw/zinc/23/84/69/209238469.db2.gz WBLONCRLCAILHT-UHFFFAOYSA-N 0 0 376.366 4.465 10 0 GIAERN O=C1CO[C@H](c2ccc(OCc3ccccc3)cc2)CN1CCc1ccccc1 ZINC000090659811 209237830 /nfs/dbraw/zinc/23/78/30/209237830.db2.gz KZZZJLBEEAECKJ-DEOSSOPVSA-N 0 0 387.479 4.408 10 0 GIAERN O=C1SCC[C@H]1NP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000005215383 209232281 /nfs/dbraw/zinc/23/22/81/209232281.db2.gz HJZKRKJNSYCZJW-QGZVFWFLSA-N 0 0 377.402 4.150 10 0 GIAERN CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCC(C)CC1 ZINC000226277176 209187192 /nfs/dbraw/zinc/18/71/92/209187192.db2.gz YMLUXKDORLDLAB-UHFFFAOYSA-N 0 0 386.414 4.015 10 0 GIAERN COc1cc(CO)cc(CSC)c1OC(=O)c1ccc(Br)cc1 ZINC000226288912 209187086 /nfs/dbraw/zinc/18/70/86/209187086.db2.gz AVYPDKDMDOVZRQ-UHFFFAOYSA-N 0 0 397.290 4.032 10 0 GIAERN C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000007305303 212073617 /nfs/dbraw/zinc/07/36/17/212073617.db2.gz MWDDVGIFLXNLFY-MRVPVSSYSA-N 0 0 380.716 4.204 10 0 GIAERN [NH3+]CCCCCCC[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000090609425 212061262 /nfs/dbraw/zinc/06/12/62/212061262.db2.gz NDOUOSSGTBUWBN-OAQYLSRUSA-N 0 0 395.499 4.342 10 0 GIAERN Cc1ccc(-n2cc(CNCc3cnc(C)cn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055154938 212059455 /nfs/dbraw/zinc/05/94/55/212059455.db2.gz MYYOZMGHPIRHFR-UHFFFAOYSA-N 0 0 387.462 4.375 10 0 GIAERN CC(C)[C@@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2[nH]1 ZINC000334162167 209178479 /nfs/dbraw/zinc/17/84/79/209178479.db2.gz ONZZIWJTWJMOJC-HXUWFJFHSA-N 0 0 396.560 4.490 10 0 GIAERN CCOc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(OC)c3)c2C)cc1 ZINC000032610113 211940645 /nfs/dbraw/zinc/94/06/45/211940645.db2.gz IBRFPTFEUZPJJB-UHFFFAOYSA-N 0 0 379.460 4.208 10 0 GIAERN O=C(Nc1nn(Cc2ccccc2F)cc1Br)NC1CCCCC1 ZINC000032610468 211941425 /nfs/dbraw/zinc/94/14/25/211941425.db2.gz QFSLBMNYHICXCK-UHFFFAOYSA-N 0 0 395.276 4.287 10 0 GIAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cnn(Cc2cccc(F)c2)c1 ZINC000028238804 211885683 /nfs/dbraw/zinc/88/56/83/211885683.db2.gz QPWIPQWLXRVDES-UHFFFAOYSA-N 0 0 389.434 4.125 10 0 GIAERN CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4cccnc4)c3)no2)cc1 ZINC000028221870 211878074 /nfs/dbraw/zinc/87/80/74/211878074.db2.gz WWXOUNSMWJWJBR-UHFFFAOYSA-N 0 0 386.411 4.450 10 0 GIAERN Cc1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccccc4)c23)cc1 ZINC000004258786 211536256 /nfs/dbraw/zinc/53/62/56/211536256.db2.gz GNYLBQHQXATGQA-AZUAARDMSA-N 0 0 399.494 4.475 10 0 GIAERN O=C(/C=C\c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000096505727 211343756 /nfs/dbraw/zinc/34/37/56/211343756.db2.gz HJRVIXBPLNBTHS-CLFYSBASSA-N 0 0 375.299 4.351 10 0 GIAERN CC(C)(C)OC(=O)n1cc(I)c2c1nccc2Cl ZINC000095937078 211284524 /nfs/dbraw/zinc/28/45/24/211284524.db2.gz XOBTXIFYRZGVRQ-UHFFFAOYSA-N 0 0 378.597 4.078 10 0 GIAERN CCOC(=O)c1cc(O)c2c(OCc3ccccc3)cc(OC)c(OC)c2c1 ZINC000095937650 211284197 /nfs/dbraw/zinc/28/41/97/211284197.db2.gz FQBYVFPAPIUZOL-UHFFFAOYSA-N 0 0 382.412 4.318 10 0 GIAERN O=S(=O)(CCc1ccc(F)c(Cl)c1)CCc1ccc(F)c(Cl)c1 ZINC000095935324 211283462 /nfs/dbraw/zinc/28/34/62/211283462.db2.gz YOQXUJYTLWOAPC-UHFFFAOYSA-N 0 0 379.255 4.472 10 0 GIAERN C/C(=C\C=C\[C@H]1[C@@H](C)C=C[C@H]2C[C@@H](C)[C@H](O)[C@@H](C)[C@@H]21)C(=O)NCc1cccnc1 ZINC000095594443 211280992 /nfs/dbraw/zinc/28/09/92/211280992.db2.gz JQPHOWVAGGEOKI-VXBYPBBWSA-N 0 0 394.559 4.292 10 0 GIAERN CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091221 211220189 /nfs/dbraw/zinc/22/01/89/211220189.db2.gz KFHWTXULQJVSND-KRWDZBQOSA-N 0 0 380.916 4.478 10 0 GIAERN CC(C)N(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088131 211220006 /nfs/dbraw/zinc/22/00/06/211220006.db2.gz BWKMFVYABGHFLM-QGZVFWFLSA-N 0 0 378.488 4.210 10 0 GIAERN COc1nc2ccccc2nc1OCC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095076593 211218849 /nfs/dbraw/zinc/21/88/49/211218849.db2.gz CTXFTVSLEJJAFV-OAHLLOKOSA-N 0 0 387.480 4.197 10 0 GIAERN CNc1nc2ccccc2nc1OCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075849 211218887 /nfs/dbraw/zinc/21/88/87/211218887.db2.gz IPMKULYRXIWODC-OAHLLOKOSA-N 0 0 386.496 4.088 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CNc2nc3ccccc3nc2NC2CC2)C1 ZINC000095085287 211218910 /nfs/dbraw/zinc/21/89/10/211218910.db2.gz OONHTDVMBXSFSS-HNNXBMFYSA-N 0 0 397.523 4.263 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](CNc2nc3ccccc3nc2NC2CC2)C1 ZINC000095085286 211218365 /nfs/dbraw/zinc/21/83/65/211218365.db2.gz OONHTDVMBXSFSS-OAHLLOKOSA-N 0 0 397.523 4.263 10 0 GIAERN CC(C)n1c(COCc2ccccc2)nn(-c2ccc(C(F)(F)F)cc2)c1=O ZINC000091301778 211189708 /nfs/dbraw/zinc/18/97/08/211189708.db2.gz KZWJESKZOXTSDF-UHFFFAOYSA-N 0 0 391.393 4.351 10 0 GIAERN Cc1c2c(c(C)c(C)c1N)O[C@@](C)(Cn1nccc1-c1cccc3c1NCC3)C2 ZINC000089210165 211179716 /nfs/dbraw/zinc/17/97/16/211179716.db2.gz LOEYSBYTMGUFFX-XMMPIXPASA-N 0 0 388.515 4.419 10 0 GIAERN CC(C)(C)OC(=O)n1nc(I)c2c1cccc2Cl ZINC000089157325 211179479 /nfs/dbraw/zinc/17/94/79/211179479.db2.gz NPUKJBBQDKGWHA-UHFFFAOYSA-N 0 0 378.597 4.078 10 0 GIAERN Cc1csc(N(C(=O)CSc2ccc(-c3ccccc3)nn2)C2CC2)n1 ZINC000084669832 211172736 /nfs/dbraw/zinc/17/27/36/211172736.db2.gz DPONSKCACOZTGN-UHFFFAOYSA-N 0 0 382.514 4.196 10 0 in-vitro GIAERN CCOC(=O)c1sc2nc(C)nc(Nc3cc(OC)cc(OC)c3)c2c1C ZINC000072260960 211083066 /nfs/dbraw/zinc/08/30/66/211083066.db2.gz SVTPYJGRKPFRGU-UHFFFAOYSA-N 0 0 387.461 4.246 10 0 GIAERN O=C(COc1ccc(F)cc1Cl)c1ccc(I)cc1 ZINC000070136338 211041361 /nfs/dbraw/zinc/04/13/61/211041361.db2.gz YEONBCUDSPLPCO-UHFFFAOYSA-N 0 0 390.579 4.345 10 0 GIAERN Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1nc(-c2ccncc2)no1 ZINC000067773776 211020756 /nfs/dbraw/zinc/02/07/56/211020756.db2.gz ZMJMLILGFNVIAB-UHFFFAOYSA-N 0 0 395.850 4.380 10 0 GIAERN COc1ccccc1C(=O)N1CCC[C@@H](c2ccnc(-c3cccc(C)c3)n2)C1 ZINC000065135346 210967459 /nfs/dbraw/zinc/96/74/59/210967459.db2.gz KIKUPCFGJZUVML-LJQANCHMSA-N 0 0 387.483 4.480 10 0 GIAERN Cc1nc(Nc2ncnc(Nc3ccc(Br)cc3)c2N)sc1C ZINC000040782246 210795153 /nfs/dbraw/zinc/79/51/53/210795153.db2.gz BEKSIIVFRFVCPT-UHFFFAOYSA-N 0 0 391.298 4.382 10 0 GIAERN Cc1nc(Nc2ncnc(Nc3cccc4nc(C)ccc43)c2N)sc1C ZINC000040783161 210794802 /nfs/dbraw/zinc/79/48/02/210794802.db2.gz MXQVUHYWFZQGGA-UHFFFAOYSA-N 0 0 377.477 4.476 10 0 GIAERN COc1cccc(Cn2c(C(=O)NCCc3ccccn3)cc3ccsc32)c1 ZINC000035843902 210697487 /nfs/dbraw/zinc/69/74/87/210697487.db2.gz KYMQDKCKNJBAOR-UHFFFAOYSA-N 0 0 391.496 4.127 10 0 GIAERN CCn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000034903485 210670456 /nfs/dbraw/zinc/67/04/56/210670456.db2.gz YVEUUCACEQFTHR-GOSISDBHSA-N 0 0 389.455 4.106 10 0 GIAERN Cc1cc([C@@H]2C[C@H](C(=O)Nc3ccccc3)CN(C(=O)NC(C)C)C2)ccc1F ZINC000034716225 210663834 /nfs/dbraw/zinc/66/38/34/210663834.db2.gz XCKPINVSVMGNOA-MOPGFXCFSA-N 0 0 397.494 4.296 10 0 GIAERN Cc1nc2c(cc(C(=O)N3CCC3)c3c2O[C@H](c2ccccc2C)CC3)n1C ZINC000034602432 210658306 /nfs/dbraw/zinc/65/83/06/210658306.db2.gz ZSYMQWFFNGCWPV-FQEVSTJZSA-N 0 0 375.472 4.102 10 0 GIAERN Cc1ccc(/C=C\C(=O)Nc2cccc(NC(=O)/C=C\c3ccc(C)o3)n2)o1 ZINC000033456189 210647861 /nfs/dbraw/zinc/64/78/61/210647861.db2.gz PZHCEUUVBDXPDX-MIMPSMLTSA-N 0 0 377.400 4.188 10 0 GIAERN C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000033820869 210653493 /nfs/dbraw/zinc/65/34/93/210653493.db2.gz NGALQDLKWWSXMK-ULQOMZCQSA-N 0 0 378.597 4.386 10 0 GIAERN CCCn1c2nnc(SCc3cccc(C)c3)n2c2ccc(C)cc2c1=O ZINC000033256491 210632582 /nfs/dbraw/zinc/63/25/82/210632582.db2.gz MEFUVLGJRDEGHI-UHFFFAOYSA-N 0 0 378.501 4.363 10 0 GIAERN COC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 ZINC000029039034 210540212 /nfs/dbraw/zinc/54/02/12/210540212.db2.gz QLRRIESOGZTMDR-UHFFFAOYSA-N 0 0 375.428 4.044 10 0 GIAERN O=C(Nc1ccc(F)c(F)c1)c1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000028708414 210532493 /nfs/dbraw/zinc/53/24/93/210532493.db2.gz JBKBPPNIUCKVMN-UHFFFAOYSA-N 0 0 389.308 4.143 10 0 GIAERN O=C(NCc1cccc(Cl)c1)c1cc(N2CCSCC2)nc2ccccc21 ZINC000023317214 210440745 /nfs/dbraw/zinc/44/07/45/210440745.db2.gz SRXVXRIZXLTPCL-UHFFFAOYSA-N 0 0 397.931 4.371 10 0 GIAERN CCOC(=O)N1CCC2(CC1)O[C@@]21c2ccc(Cl)cc2CCc2cccnc21 ZINC000022061874 210405143 /nfs/dbraw/zinc/40/51/43/210405143.db2.gz AHZBXSSTBLMSKB-JOCHJYFZSA-N 0 0 398.890 4.099 10 0 in-vitro GIAERN O=C1C[C@@H](c2cc(F)cc(F)c2)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725776 210391631 /nfs/dbraw/zinc/39/16/31/210391631.db2.gz CQECAUKOUGEVPT-ZDUSSCGKSA-N 0 0 382.395 4.234 10 0 GIAERN CCCC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C(C)(C)C)C2 ZINC000020342389 210330025 /nfs/dbraw/zinc/33/00/25/210330025.db2.gz MBCSFBXMGMPLJO-CYBMUJFWSA-N 0 0 380.554 4.268 10 0 GIAERN COc1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)ccc1F ZINC000011934011 221138159 /nfs/dbraw/zinc/13/81/59/221138159.db2.gz IMYWAIXHSWDQJW-QFIPXVFZSA-N 0 0 376.435 4.186 10 0 GIAERN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095074502 136177736 /nfs/dbraw/zinc/17/77/36/136177736.db2.gz WWIGVNHCYPWDQN-INIZCTEOSA-N 0 0 397.523 4.040 10 0 GIAERN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1ccc2ccccc2c1 ZINC000224144612 136206289 /nfs/dbraw/zinc/20/62/89/136206289.db2.gz YWBZFAZJKPXEEV-UHFFFAOYSA-N 0 0 390.491 4.330 10 0 GIAERN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccccc2F)cc1OC ZINC000034793835 570336661 /nfs/dbraw/zinc/33/66/61/570336661.db2.gz QNBDRNAHNAYKEP-UHFFFAOYSA-N 0 0 381.407 4.363 10 0 GIAERN COCCc1nc2ccc(C(=O)NCc3cc4cc(Cl)ccc4[nH]3)cc2o1 ZINC000011766524 570434485 /nfs/dbraw/zinc/43/44/85/570434485.db2.gz ABHCQTGPQVWHLO-UHFFFAOYSA-N 0 0 383.835 4.081 10 0 GIAERN Cc1ccc(Cl)cc1NC(=S)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000006392807 570478713 /nfs/dbraw/zinc/47/87/13/570478713.db2.gz SDPSQUOTRFYBOO-KRWDZBQOSA-N 0 0 375.925 4.421 10 0 GIAERN Cc1ccc(C(=O)Nc2ccc3[nH]c(C(=O)NCCc4ccccn4)cc3c2)cc1 ZINC000036000443 570506370 /nfs/dbraw/zinc/50/63/70/570506370.db2.gz FUZZPUCXJQPJMU-UHFFFAOYSA-N 0 0 398.466 4.096 10 0 GIAERN CC(C)CCNC(=O)[C@@]1(C)CCc2ccccc2C(=O)N1Cc1ccc(F)cc1 ZINC000032977857 570570460 /nfs/dbraw/zinc/57/04/60/570570460.db2.gz OKHLPEGMLJMOHE-XMMPIXPASA-N 0 0 396.506 4.335 10 0 GIAERN CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000006780012 570587725 /nfs/dbraw/zinc/58/77/25/570587725.db2.gz WBEWURHAQNNIMW-QHCPKHFHSA-N 0 0 398.462 4.095 10 0 GIAERN Cc1csc([C@@H](C)NC(=O)c2coc(COc3ccc4ncccc4c3)n2)n1 ZINC000012306020 570638564 /nfs/dbraw/zinc/63/85/64/570638564.db2.gz BJZGPFLMEDOCIP-CYBMUJFWSA-N 0 0 394.456 4.058 10 0 GIAERN c1cc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cs1 ZINC000055167685 570685809 /nfs/dbraw/zinc/68/58/09/570685809.db2.gz ZRLYOUJYFXACDR-UHFFFAOYSA-N 0 0 376.529 4.016 10 0 GIAERN Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)Nc1ccc(C)cc1 ZINC000004715530 570855874 /nfs/dbraw/zinc/85/58/74/570855874.db2.gz VIYUKRSQSTZRIM-HHHXNRCGSA-N 0 0 382.485 4.154 10 0 GIAERN COc1cc(C=O)cc(CSC)c1OC(=O)c1ccccc1Br ZINC000226288771 570936239 /nfs/dbraw/zinc/93/62/39/570936239.db2.gz MFOAXPXXZUWCOG-UHFFFAOYSA-N 0 0 395.274 4.352 10 0 GIAERN CCOC(=O)c1c(C)[nH]c2ccc3c(c21)CN1CCc2cc(OC)ccc2[C@H]1O3 ZINC000026153628 570962268 /nfs/dbraw/zinc/96/22/68/570962268.db2.gz VDDUJINYXKGZLV-JOCHJYFZSA-N 0 0 392.455 4.111 10 0 in-vitro GIAERN Nc1c(C(=O)NCc2ccco2)sc(=S)n1-c1ccc(F)c(Cl)c1 ZINC000045896248 570998792 /nfs/dbraw/zinc/99/87/92/570998792.db2.gz KDZAXNZQMXQOIR-UHFFFAOYSA-N 0 0 383.857 4.166 10 0 GIAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(F)cc1 ZINC000015920639 210179228 /nfs/dbraw/zinc/17/92/28/210179228.db2.gz UAQCQPFFIMTOBD-NRFANRHFSA-N 0 0 379.435 4.106 10 0 GIAERN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)N1CCC[C@H](c2ccccc2)C1 ZINC000015004316 210143069 /nfs/dbraw/zinc/14/30/69/210143069.db2.gz TZJLGEAICALBGO-CVDCTZTESA-N 0 0 396.556 4.126 10 0 GIAERN Cc1nc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)nc2ccccc12 ZINC000014886014 210128987 /nfs/dbraw/zinc/12/89/87/210128987.db2.gz ADRRXRUVTXQAOB-UHFFFAOYSA-N 0 0 394.906 4.124 10 0 GIAERN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)C)cc3)n2C)cc1 ZINC000014101981 210104441 /nfs/dbraw/zinc/10/44/41/210104441.db2.gz QKYUEYCDBRMXJK-UHFFFAOYSA-N 0 0 396.516 4.345 10 0 GIAERN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc(C)ccc1OC)O[C@@H](C)C2 ZINC000012608220 209986519 /nfs/dbraw/zinc/98/65/19/209986519.db2.gz WMAMOGPDJFJBTK-LSDHHAIUSA-N 0 0 384.476 4.165 10 0 GIAERN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C2CCOCC2)cc1 ZINC000012227249 209925059 /nfs/dbraw/zinc/92/50/59/209925059.db2.gz JGTOVEPGJSUBDM-FQEVSTJZSA-N 0 0 381.520 4.090 10 0 GIAERN CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)ncn1 ZINC000065244818 535193047 /nfs/dbraw/zinc/19/30/47/535193047.db2.gz JBYAUWWMAWWUOO-RBUKOAKNSA-N 0 0 395.551 4.173 10 0 GIAERN Cc1cc(NC(=O)/C=C/c2ccccc2Cl)n(-c2nc3ccccc3[nH]2)n1 ZINC000006314999 209643206 /nfs/dbraw/zinc/64/32/06/209643206.db2.gz HJIXQZIYUSYFJA-ZHACJKMWSA-N 0 0 377.835 4.362 10 0 GIAERN Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)C=Cc4ccccc4)nc3C2)cc1 ZINC000005942464 209622833 /nfs/dbraw/zinc/62/28/33/209622833.db2.gz UQMHKZNRBRTPEB-VSRDTVRMSA-N 0 0 383.451 4.350 10 0 GIAERN COc1cc(C(=O)Nc2c(C)cccc2C)c(Br)c(OC)c1OC ZINC000005756058 209615229 /nfs/dbraw/zinc/61/52/29/209615229.db2.gz CJODUKHFUJRZHN-UHFFFAOYSA-N 0 0 394.265 4.344 10 0 GIAERN CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000004600141 209502400 /nfs/dbraw/zinc/50/24/00/209502400.db2.gz VGNAYAJWCDCBSH-UHOFOFEASA-N 0 0 380.282 4.312 10 0 GIAERN O=C(CNC(=O)c1cnc(Cl)cc1C(F)(F)F)c1cccc(Cl)c1 ZINC000002557747 209369940 /nfs/dbraw/zinc/36/99/40/209369940.db2.gz VWKMFCPDOUSXBZ-UHFFFAOYSA-N 0 0 377.149 4.020 10 0 GIAERN CCOC(=O)c1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl ZINC000002570534 209369886 /nfs/dbraw/zinc/36/98/86/209369886.db2.gz VCMGBRBCLJJVOV-UHFFFAOYSA-N 0 0 387.667 4.135 10 0 GIAERN COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000001934978 209342427 /nfs/dbraw/zinc/34/24/27/209342427.db2.gz JUZZFYVIFJVWQP-KPKJPENVSA-N 0 0 381.428 4.035 10 0 GIAERN O=C1O[C@H](c2ccccc2Cl)[C@@](Cn2cncn2)(c2ccccc2Cl)O1 ZINC000026006448 209242254 /nfs/dbraw/zinc/24/22/54/209242254.db2.gz BXYIZXJCUAYVBX-SJLPKXTDSA-N 0 0 390.226 4.389 10 0 GIAERN O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccccc1Cl ZINC000026008458 209241861 /nfs/dbraw/zinc/24/18/61/209241861.db2.gz IGWVISJZEUVEJX-QGZVFWFLSA-N 0 0 396.661 4.009 10 0 GIAERN O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cnnc1)c1ccc(Cl)cc1 ZINC000026013687 209241675 /nfs/dbraw/zinc/24/16/75/209241675.db2.gz RZGGYANBKWXXOD-QGZVFWFLSA-N 0 0 396.661 4.009 10 0 GIAERN O=c1c(Br)c(Sc2ccc(F)cc2)cnn1Cc1ccccc1 ZINC000090558388 209236581 /nfs/dbraw/zinc/23/65/81/209236581.db2.gz JNPAIRNCGVBGJN-UHFFFAOYSA-N 0 0 391.265 4.344 10 0 GIAERN CCCC1=Nc2ncnn2[C@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OCC ZINC000017077898 209234720 /nfs/dbraw/zinc/23/47/20/209234720.db2.gz ZFEKZRPIZKTSPZ-OAHLLOKOSA-N 0 0 381.263 4.217 10 0 GIAERN CCCCc1cc2c(cc1OCCOc1ccccc1)ncc(C(=O)OC)c2O ZINC000005423979 209232331 /nfs/dbraw/zinc/23/23/31/209232331.db2.gz RRISVJICBWWKJG-UHFFFAOYSA-N 0 0 395.455 4.115 10 0 GIAERN CCc1c(=O)[nH]c(=O)n(COCc2ccccc2)c1Sc1cc(C)cc(C)c1 ZINC000006424930 209233236 /nfs/dbraw/zinc/23/32/36/209233236.db2.gz KYQAKOHJHCUILQ-UHFFFAOYSA-N 0 0 396.512 4.041 10 0 GIAERN Cc1ccc(N2C[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)CC2=O)cc1C ZINC000005194576 209190725 /nfs/dbraw/zinc/19/07/25/209190725.db2.gz XDZRYWQWFXNBFN-QFIPXVFZSA-N 0 0 398.506 4.357 10 0 GIAERN COc1cc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc(OC)c1OC ZINC000226271860 209188009 /nfs/dbraw/zinc/18/80/09/209188009.db2.gz HVGYEBZHMIHSIH-UHFFFAOYSA-N 0 0 396.321 4.021 10 0 GIAERN CCCCC[C@@H]1O[C@@H]1CCCCCC/C=C/C=C/C=C\C(=O)OC(CO)CO ZINC000256078441 211994575 /nfs/dbraw/zinc/99/45/75/211994575.db2.gz FPGUPMILQWFADI-MJCWRHKCSA-N 0 0 394.552 4.240 10 0 GIAERN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccccn1 ZINC000032609886 211940385 /nfs/dbraw/zinc/94/03/85/211940385.db2.gz KSTRTJFWGWCPAB-UHFFFAOYSA-N 0 0 391.258 4.491 10 0 GIAERN O=C(COc1ccccc1)Nc1nn(Cc2ccccc2Cl)cc1Cl ZINC000032609993 211941197 /nfs/dbraw/zinc/94/11/97/211941197.db2.gz PZTNFNTUEFAPOV-UHFFFAOYSA-N 0 0 376.243 4.256 10 0 GIAERN COc1cccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 ZINC000028574403 211897744 /nfs/dbraw/zinc/89/77/44/211897744.db2.gz KRLMUZBVQKSUHE-UHFFFAOYSA-N 0 0 375.350 4.211 10 0 GIAERN COc1cc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc(OC)c1 ZINC000224290404 211859812 /nfs/dbraw/zinc/85/98/12/211859812.db2.gz MUXJESKDLMIBMC-UHFFFAOYSA-N 0 0 384.367 4.069 10 0 GIAERN COc1cc(NC(=O)COc2cc(C)ccc2C(C)C)cc2sc(N)nc21 ZINC000226312458 211481427 /nfs/dbraw/zinc/48/14/27/211481427.db2.gz HLNSGWVUFAHKHO-UHFFFAOYSA-N 0 0 385.489 4.336 10 0 GIAERN CCN(CC)C(=S)S[C@H]1C(=O)Nc2ccccc2N=C1c1ccccc1 ZINC000100898508 211391990 /nfs/dbraw/zinc/39/19/90/211391990.db2.gz KOMQWBBGBOMCQK-GOSISDBHSA-N 0 0 383.542 4.488 10 0 GIAERN COc1cc(/C=C\c2noc(-c3ccccc3O)n2)cc(Br)c1O ZINC000096482274 211342925 /nfs/dbraw/zinc/34/29/25/211342925.db2.gz AAOUJZIBNGNXPI-SREVYHEPSA-N 0 0 389.205 4.089 10 0 GIAERN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCc1ccncc1 ZINC000096386163 211338330 /nfs/dbraw/zinc/33/83/30/211338330.db2.gz RUWFBVPHFZUBRM-UHFFFAOYSA-N 0 0 382.467 4.232 10 0 GIAERN Cc1c2ccccc2oc1-c1nnc2sc(-c3cc(CC(C)C)[nH]n3)nn21 ZINC000096194425 211317984 /nfs/dbraw/zinc/31/79/84/211317984.db2.gz QDZBPGFTSIELKW-UHFFFAOYSA-N 0 0 378.461 4.496 10 0 GIAERN Cc1cc(CN2CCC[C@@H]2c2nnn3cc(-c4cccc(F)c4)ccc23)no1 ZINC000096156567 211314557 /nfs/dbraw/zinc/31/45/57/211314557.db2.gz VNYXRHPFIRJANM-LJQANCHMSA-N 0 0 377.423 4.169 10 0 GIAERN CCCCN(CC)C(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 ZINC000096037687 211297161 /nfs/dbraw/zinc/29/71/61/211297161.db2.gz XPRLORMOMXLDNQ-UHFFFAOYSA-N 0 0 395.551 4.218 10 0 GIAERN Cn1cnnc1-c1ccc(NC(=O)c2ccc(OCC3CCCCC3)cc2)nc1 ZINC000095982321 211291731 /nfs/dbraw/zinc/29/17/31/211291731.db2.gz GEZBAFJWABTSRW-UHFFFAOYSA-N 0 0 391.475 4.089 10 0 GIAERN CC(C)(C)OC(=O)c1nccc(CC(=O)c2cccc(C(F)(F)F)c2)c1N ZINC000095934819 211284743 /nfs/dbraw/zinc/28/47/43/211284743.db2.gz FYRHYERSNAHJOX-UHFFFAOYSA-N 0 0 380.366 4.063 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2ccc(Br)cn2)C1 ZINC000095085125 211219194 /nfs/dbraw/zinc/21/91/94/211219194.db2.gz HBQARPBISKTLGH-ZDUSSCGKSA-N 0 0 385.302 4.260 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(COc2nc3ccccc3nc2NC2CC2)CC1 ZINC000095084072 211218913 /nfs/dbraw/zinc/21/89/13/211218913.db2.gz UGOKCMBMGYWQKS-UHFFFAOYSA-N 0 0 398.507 4.230 10 0 GIAERN CSc1nc(Cl)cc(OCC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095076675 211218767 /nfs/dbraw/zinc/21/87/67/211218767.db2.gz BSIIZFHIFVGJDV-GFCCVEGCSA-N 0 0 387.933 4.410 10 0 GIAERN O[C@@H]1CCCN(c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)C1 ZINC000095078248 211218311 /nfs/dbraw/zinc/21/83/11/211218311.db2.gz XEMISQMHHCPJFN-OAHLLOKOSA-N 0 0 376.287 4.353 10 0 GIAERN CC(=O)c1nc2ccccc2n1C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095082707 211218429 /nfs/dbraw/zinc/21/84/29/211218429.db2.gz ZDJBHUIMNVODOR-LJQANCHMSA-N 0 0 391.471 4.288 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1nc2ccccc2nc1Cl ZINC000095086473 211218027 /nfs/dbraw/zinc/21/80/27/211218027.db2.gz QTCFRLOVDRQIFE-ZDUSSCGKSA-N 0 0 376.888 4.485 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2ccccc2nc1Cl ZINC000095086612 211218204 /nfs/dbraw/zinc/21/82/04/211218204.db2.gz HZKZEXNIRUJOMC-CYBMUJFWSA-N 0 0 377.872 4.452 10 0 GIAERN CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(Br)n1 ZINC000095074964 211217653 /nfs/dbraw/zinc/21/76/53/211217653.db2.gz PVBDQCLTNKCDAS-ZDUSSCGKSA-N 0 0 384.318 4.070 10 0 GIAERN CC(=O)NCc1nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2s1 ZINC000084757627 211175834 /nfs/dbraw/zinc/17/58/34/211175834.db2.gz HITAUNLFJVIXEG-UHFFFAOYSA-N 0 0 381.501 4.482 10 0 GIAERN CC(C)c1ccc(NC(=O)CSC2=NN(C)CC(Oc3ccccc3)=N2)cc1 ZINC000057401714 210897171 /nfs/dbraw/zinc/89/71/71/210897171.db2.gz ZGJXTWHCRIRPQZ-UHFFFAOYSA-N 0 0 396.516 4.176 10 0 GIAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2)cc1OC ZINC000040852944 210796195 /nfs/dbraw/zinc/79/61/95/210796195.db2.gz BQQGYLVLJPNQGH-VZUCSPMQSA-N 0 0 377.234 4.475 10 0 GIAERN Cc1ccc(-c2cc(CN(C3CC3)S(=O)(=O)c3ccccc3)no2)cc1C ZINC000036001885 210704546 /nfs/dbraw/zinc/70/45/46/210704546.db2.gz TZKMSIHBIOZFAD-UHFFFAOYSA-N 0 0 382.485 4.312 10 0 GIAERN CCN(C)C(=O)c1cc(-c2cnc(-c3cccnc3)nc2)nc2cc(C)ccc21 ZINC000023541343 210446889 /nfs/dbraw/zinc/44/68/89/210446889.db2.gz LTKPIJLWAMSYAJ-UHFFFAOYSA-N 0 0 383.455 4.154 10 0 GIAERN CCc1ccccc1NC(=O)Cc1csc(NC(=O)NC2CCCCC2)n1 ZINC000022699112 210419638 /nfs/dbraw/zinc/41/96/38/210419638.db2.gz DYQAMLIVFBHMSL-UHFFFAOYSA-N 0 0 386.521 4.341 10 0 GIAERN O=c1c2ccc[nH]c-2c(Nc2cccc(Br)c2)n1Cc1ccco1 ZINC000021105371 210377121 /nfs/dbraw/zinc/37/71/21/210377121.db2.gz NPRCLTGIJVQYIG-QGZVFWFLSA-N 0 0 384.233 4.204 10 0 GIAERN COc1cccc([C@@H](CC(=O)Nc2ccc(C)c(N(C)C)c2)n2cccc2)c1 ZINC000020998542 210372505 /nfs/dbraw/zinc/37/25/05/210372505.db2.gz WOYLZEIBDHQOBB-JOCHJYFZSA-N 0 0 377.488 4.489 10 0 GIAERN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2nc(C)cs2)cc1 ZINC000020761357 210360782 /nfs/dbraw/zinc/36/07/82/210360782.db2.gz UTNLSQCJOWBZNF-UHFFFAOYSA-N 0 0 397.500 4.468 10 0 GIAERN O=C(Nc1ccc(F)cc1F)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020530979 210342685 /nfs/dbraw/zinc/34/26/85/210342685.db2.gz YCEYSQAEJJAPHR-FQEVSTJZSA-N 0 0 378.378 4.301 10 0 GIAERN CC[N@@H+]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000020335588 210329655 /nfs/dbraw/zinc/32/96/55/210329655.db2.gz MXWBTUDBYAISSJ-UHFFFAOYSA-N 0 0 379.869 4.122 10 0 GIAERN Cc1cccc(NC(=S)N(Cc2ccncc2)C[C@@H]2CCCO2)c1Cl ZINC000020418079 210333293 /nfs/dbraw/zinc/33/32/93/210333293.db2.gz GKLZGEJWSHYGLU-INIZCTEOSA-N 0 0 375.925 4.421 10 0 GIAERN Clc1cccc(-c2noc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)c1 ZINC000020210071 210322384 /nfs/dbraw/zinc/32/23/84/210322384.db2.gz VGXBDHNMCPEWMI-VMPITWQZSA-N 0 0 394.906 4.221 10 0 GIAERN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)[C@H](C)c1ccon1 ZINC000011838447 221131318 /nfs/dbraw/zinc/13/13/18/221131318.db2.gz QQHACMWCFMOGCS-SNVBAGLBSA-N 0 0 375.812 4.213 10 0 GIAERN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c(F)c1 ZINC000011933586 221137960 /nfs/dbraw/zinc/13/79/60/221137960.db2.gz YHBRYXPYZOEKQF-QFIPXVFZSA-N 0 0 376.435 4.186 10 0 GIAERN O=C(CCC1CCCCC1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224256401 136206502 /nfs/dbraw/zinc/20/65/02/136206502.db2.gz YGYTXOOQTQMRKY-UHFFFAOYSA-N 0 0 393.535 4.102 10 0 GIAERN CC/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO ZINC000004102366 560196852 /nfs/dbraw/zinc/19/68/52/560196852.db2.gz QGJPEZISMDKYLK-HSSWLXNDSA-N 0 0 387.564 4.398 10 0 in-vitro GIAERN Cc1cccc2c(C(=O)NC(C)C)cc(-c3cnc(-c4ccccn4)nc3)nc12 ZINC000023479102 570324680 /nfs/dbraw/zinc/32/46/80/570324680.db2.gz DJBASWPOYFOPME-UHFFFAOYSA-N 0 0 383.455 4.200 10 0 GIAERN CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cc(OC)cc(OC)c1 ZINC000034795103 570337475 /nfs/dbraw/zinc/33/74/75/570337475.db2.gz LZENZBVJHZGJLW-UHFFFAOYSA-N 0 0 383.423 4.438 10 0 GIAERN Cc1cccc(Cc2nnc(NC(=O)c3ccc(Br)o3)s2)c1 ZINC000005942920 570462556 /nfs/dbraw/zinc/46/25/56/570462556.db2.gz XBOFNYQBLOKNKR-UHFFFAOYSA-N 0 0 378.251 4.045 10 0 GIAERN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(NCc3ccccc3)n2n1 ZINC000006805495 570494558 /nfs/dbraw/zinc/49/45/58/570494558.db2.gz FBBFYRXTBSNAGD-UHFFFAOYSA-N 0 0 397.486 4.015 10 0 GIAERN O=C(C1CC1)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000006689953 570533405 /nfs/dbraw/zinc/53/34/05/570533405.db2.gz ZHDLAWMNZKNTST-UHFFFAOYSA-N 0 0 378.303 4.387 10 0 GIAERN CCC(=O)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)[C@H](C)CC ZINC000036094462 570534578 /nfs/dbraw/zinc/53/45/78/570534578.db2.gz SPRLOZXEJQUNHA-CYBMUJFWSA-N 0 0 396.940 4.405 10 0 GIAERN CC(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000006722899 570551439 /nfs/dbraw/zinc/55/14/39/570551439.db2.gz SNJANZLTRDRSEL-QGZVFWFLSA-N 0 0 381.520 4.457 10 0 GIAERN COc1cc(CO[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc(OC)c1 ZINC000036315572 570613306 /nfs/dbraw/zinc/61/33/06/570613306.db2.gz TVBFODKKZBXHNK-GOSISDBHSA-N 0 0 389.879 4.179 10 0 GIAERN COC[C@H]1CCN(C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)C1 ZINC000012303614 570637674 /nfs/dbraw/zinc/63/76/74/570637674.db2.gz SGGWMCVNDPFOEG-HNNXBMFYSA-N 0 0 384.863 4.181 10 0 GIAERN CCCC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)CO2 ZINC000065081812 570685174 /nfs/dbraw/zinc/68/51/74/570685174.db2.gz VMCXXQMJRZVVQZ-FXAWDEMLSA-N 0 0 394.515 4.114 10 0 GIAERN CCCCC(=O)Nc1cncc(-c2cc3cnn([C@H]4CCCCO4)c3cn2)c1 ZINC000498050562 570909223 /nfs/dbraw/zinc/90/92/23/570909223.db2.gz NGBLQQMPEKBWFH-OAQYLSRUSA-N 0 0 379.464 4.321 10 0 GIAERN FC(F)c1n[nH]c(I)c1-c1ccc(Br)cc1 ZINC000675075862 570910216 /nfs/dbraw/zinc/91/02/16/570910216.db2.gz FKXZXNDFXVNXKN-UHFFFAOYSA-N 0 0 398.976 4.381 10 0 GIAERN Cc1cccc(Cc2nc3ccccc3n2CCC(=O)NCCc2ccccn2)c1 ZINC000037396948 571003250 /nfs/dbraw/zinc/00/32/50/571003250.db2.gz AODJDMKAVSESCO-UHFFFAOYSA-N 0 0 398.510 4.080 10 0 GIAERN Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc4nc(C)ccc43)nn21 ZINC000227143859 222709294 /nfs/dbraw/zinc/70/92/94/222709294.db2.gz IBDLSMPPXWASJT-UHFFFAOYSA-N 0 0 397.467 4.333 10 0 GIAERN COc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)Oc1ccc(Cl)cc1Cl ZINC000001038803 212142112 /nfs/dbraw/zinc/14/21/12/212142112.db2.gz MQLSNTVRNGTCEU-SJCJKPOMSA-N 0 0 381.211 4.212 10 0 GIAERN CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C ZINC000226277110 212115497 /nfs/dbraw/zinc/11/54/97/212115497.db2.gz XPHMHLUFVIWBDY-CYBMUJFWSA-N 0 0 386.414 4.157 10 0 GIAERN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cc(OC)cc(OC)c3)oc2c1 ZINC000226284097 212115284 /nfs/dbraw/zinc/11/52/84/212115284.db2.gz MWIKKXVMQLDJKL-UHFFFAOYSA-N 0 0 394.349 4.427 10 0 GIAERN COc1cc(OC)cc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)c1 ZINC000226271883 212115095 /nfs/dbraw/zinc/11/50/95/212115095.db2.gz JFTRZPCHKUWMMG-UHFFFAOYSA-N 0 0 380.322 4.037 10 0 GIAERN Cc1cc(C(=O)Nc2cc(C)c(I)cc2C)ccc1N ZINC000226269084 212114613 /nfs/dbraw/zinc/11/46/13/212114613.db2.gz OAIZNVRYNFTNMZ-UHFFFAOYSA-N 0 0 380.229 4.051 10 0 GIAERN CCN(CC)c1ccc(N)cc1NC(=O)c1cc(Br)ccc1OC ZINC000226261436 212114112 /nfs/dbraw/zinc/11/41/12/212114112.db2.gz ZYPLSKJJCMEDED-UHFFFAOYSA-N 0 0 392.297 4.138 10 0 GIAERN CC(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1C ZINC000028284428 212109356 /nfs/dbraw/zinc/10/93/56/212109356.db2.gz PSCYUGDGVOCCAF-UHFFFAOYSA-N 0 0 376.250 4.286 10 0 GIAERN COc1ccc2nc(Cl)c(CN(C(=O)c3cnccn3)C3CCCC3)cc2c1 ZINC000004881003 220783349 /nfs/dbraw/zinc/78/33/49/220783349.db2.gz ZULYJARONKNNRA-UHFFFAOYSA-N 0 0 396.878 4.272 10 0 GIAERN Cc1ccc(C)c(NC(=O)CN2c3cc(C)ccc3Oc3ncccc3C2=O)c1 ZINC000006878038 220974698 /nfs/dbraw/zinc/97/46/98/220974698.db2.gz RAJKQMKGOFXKGJ-UHFFFAOYSA-N 0 0 387.439 4.398 10 0 GIAERN O=C(Nc1cccc(CO)c1)c1cc(Br)c(Br)s1 ZINC000008165437 221029328 /nfs/dbraw/zinc/02/93/28/221029328.db2.gz VXQXWOJHEJZGBP-UHFFFAOYSA-N 0 0 391.084 4.018 10 0 GIAERN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN1Cc1ccncc1 ZINC000011818363 221127590 /nfs/dbraw/zinc/12/75/90/221127590.db2.gz MDRORICITCTTOP-QFIPXVFZSA-N 0 0 375.447 4.491 10 0 GIAERN Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)c3sccc3C)C2)c(C)s1 ZINC000011842035 221132625 /nfs/dbraw/zinc/13/26/25/221132625.db2.gz FWFUYMCSUSYJHF-AWEZNQCLSA-N 0 0 383.560 4.018 10 0 GIAERN COc1ccc2c(c1)O[C@H](C)CN(C(=O)c1c(C)onc1-c1ccccc1)C2 ZINC000012281253 221174968 /nfs/dbraw/zinc/17/49/68/221174968.db2.gz KYWKHVSCMMJCQN-CQSZACIVSA-N 0 0 378.428 4.082 10 0 GIAERN Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cn2cnc3ccccc32)c1C ZINC000012304986 221177419 /nfs/dbraw/zinc/17/74/19/221177419.db2.gz ARFAIRDWVVZZTI-IBGZPJMESA-N 0 0 399.498 4.033 10 0 GIAERN COC[C@@H]1CCN(C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)C1 ZINC000012303613 221177442 /nfs/dbraw/zinc/17/74/42/221177442.db2.gz SGGWMCVNDPFOEG-OAHLLOKOSA-N 0 0 384.863 4.181 10 0 GIAERN COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1 ZINC000012449252 221196947 /nfs/dbraw/zinc/19/69/47/221196947.db2.gz STOBCKHXIPHZIY-QGZVFWFLSA-N 0 0 393.462 4.115 10 0 GIAERN CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cccnc3SC)C2)cc1 ZINC000012747663 221223733 /nfs/dbraw/zinc/22/37/33/221223733.db2.gz KMOMXAJFPXSNMX-HNNXBMFYSA-N 0 0 386.542 4.261 10 0 GIAERN Clc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)c(Cl)c1 ZINC000013569044 221274163 /nfs/dbraw/zinc/27/41/63/221274163.db2.gz MPCIMMBRNCFKDI-UHFFFAOYSA-N 0 0 394.346 4.113 10 0 GIAERN COCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000014646259 221314042 /nfs/dbraw/zinc/31/40/42/221314042.db2.gz WDQRZMKVZIUODX-GFCCVEGCSA-N 0 0 384.259 4.425 10 0 GIAERN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCCC[C@H]4C)c3C)n2)c(C)s1 ZINC000014955922 221320480 /nfs/dbraw/zinc/32/04/80/221320480.db2.gz URHLDYAWDYMQCE-CYBMUJFWSA-N 0 0 395.532 4.331 10 0 GIAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@H]1c1cccc(F)c1 ZINC000015920644 221353023 /nfs/dbraw/zinc/35/30/23/221353023.db2.gz XMTFMUVHEXFDJR-OAQYLSRUSA-N 0 0 379.435 4.106 10 0 GIAERN C[C@H](NC(=O)c1ccccc1I)c1cccc(Cl)c1 ZINC000016018213 221354915 /nfs/dbraw/zinc/35/49/15/221354915.db2.gz DBOOTSDYINQHPA-JTQLQIEISA-N 0 0 385.632 4.436 10 0 GIAERN CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)C3CCCCC3)s2)CC1=O ZINC000017945923 221385447 /nfs/dbraw/zinc/38/54/47/221385447.db2.gz WMODXBXMOMRJRV-INIZCTEOSA-N 0 0 398.532 4.140 10 0 GIAERN Cc1nn(C)c(C)c1-c1ccnc(NCc2nc(-c3cccs3)oc2C)n1 ZINC000023231758 221589232 /nfs/dbraw/zinc/58/92/32/221589232.db2.gz BZPRAOJMEUTKAL-UHFFFAOYSA-N 0 0 380.477 4.131 10 0 GIAERN COc1ccc(O[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 ZINC000026771302 221646493 /nfs/dbraw/zinc/64/64/93/221646493.db2.gz NWSLNYHJTTWZOH-CYBMUJFWSA-N 0 0 380.680 4.262 10 0 GIAERN Cc1cc2sc(NC(=O)CCC(=O)N3CCc4ccccc4C3)nc2c(C)c1 ZINC000027913225 221662868 /nfs/dbraw/zinc/66/28/68/221662868.db2.gz DGKKTMUXYVDVSB-UHFFFAOYSA-N 0 0 393.512 4.217 10 0 GIAERN CCCSc1nnc(NC(=O)COc2ccc(OC)cc2C(C)(C)C)s1 ZINC000027912707 221662871 /nfs/dbraw/zinc/66/28/71/221662871.db2.gz OAFXKFRXTLKRHF-UHFFFAOYSA-N 0 0 395.550 4.364 10 0 GIAERN Cc1cc(OCn2ccc(C(=O)N3CCCc4ccccc43)n2)ccc1Cl ZINC000027972785 221664023 /nfs/dbraw/zinc/66/40/23/221664023.db2.gz IJZJKOWFOAVTKR-UHFFFAOYSA-N 0 0 381.863 4.474 10 0 GIAERN Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccc(Br)cc1F ZINC000028235372 221671682 /nfs/dbraw/zinc/67/16/82/221671682.db2.gz QTDGFEZALBWDPQ-MRVPVSSYSA-N 0 0 394.166 4.312 10 0 GIAERN CCn1nc(C)cc1NC(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000028241159 221671843 /nfs/dbraw/zinc/67/18/43/221671843.db2.gz QKXWXKSXTKJDAN-UHFFFAOYSA-N 0 0 394.262 4.004 10 0 GIAERN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Sc1cccc2cccnc21 ZINC000032604012 221724111 /nfs/dbraw/zinc/72/41/11/221724111.db2.gz PQYYKOOUXCJSRX-GOSISDBHSA-N 0 0 393.512 4.370 10 0 GIAERN Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC(C)C)cn(C(C)(C)C)c3n2)cc1 ZINC000034982925 221811756 /nfs/dbraw/zinc/81/17/56/221811756.db2.gz GUCRYCQLUYEBGS-UHFFFAOYSA-N 0 0 392.503 4.490 10 0 GIAERN CC(C)[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 ZINC000044460333 221952175 /nfs/dbraw/zinc/95/21/75/221952175.db2.gz OSMMPQFRVPFIQZ-RTWAWAEBSA-N 0 0 381.472 4.066 10 0 GIAERN O[C@@H](Cc1ccc(Br)s1)Cc1cccc(Br)c1 ZINC000053784770 222012170 /nfs/dbraw/zinc/01/21/70/222012170.db2.gz SITYOIYCKVBWMF-LLVKDONJSA-N 0 0 376.113 4.419 10 0 GIAERN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NC1CCCC1)CO2)c1ccc(Cl)cc1 ZINC000065082821 222099775 /nfs/dbraw/zinc/09/97/75/222099775.db2.gz XLPOSTGILWVZDS-INIZCTEOSA-N 0 0 398.890 4.202 10 0 GIAERN CC[C@H]1CCCCN1C(=O)c1c(C)oc2ccn(Cc3ccccc3F)c(=O)c21 ZINC000065230453 222112278 /nfs/dbraw/zinc/11/22/78/222112278.db2.gz RWLBYLMDQBCSPD-KRWDZBQOSA-N 0 0 396.462 4.495 10 0 GIAERN CCN(Cc1cccnc1)C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12 ZINC000063884155 222069090 /nfs/dbraw/zinc/06/90/90/222069090.db2.gz NRYHCKWTGDGGGT-UHFFFAOYSA-N 0 0 397.482 4.366 10 0 GIAERN COc1ccc(CNC(=O)c2cc(-c3cccnc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000064472840 222072194 /nfs/dbraw/zinc/07/21/94/222072194.db2.gz NOXSWRKUKKJNHY-UHFFFAOYSA-N 0 0 398.466 4.181 10 0 GIAERN Cc1oc(-c2ccc(C)cc2)nc1CNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000064817843 222083733 /nfs/dbraw/zinc/08/37/33/222083733.db2.gz JFNQOBLKNDLWIW-UHFFFAOYSA-N 0 0 396.512 4.316 10 0 GIAERN CC(C)Cn1c(C[C@H]2CCN(C(=O)c3cc(F)ccc3F)C2)nc2cccnc21 ZINC000065292620 222120433 /nfs/dbraw/zinc/12/04/33/222120433.db2.gz RSCDTHILTXDARM-OAHLLOKOSA-N 0 0 398.457 4.070 10 0 GIAERN O=C(CCC1CCCC1)N1CCC2(CCC(=O)N2OCc2ccccc2)CC1 ZINC000072122579 222208412 /nfs/dbraw/zinc/20/84/12/222208412.db2.gz YHNDCZIWCDOSAB-UHFFFAOYSA-N 0 0 384.520 4.072 10 0 GIAERN CSc1nc(Cl)cc(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000085334021 222323576 /nfs/dbraw/zinc/32/35/76/222323576.db2.gz KNNXJWODFOQGTI-JTQLQIEISA-N 0 0 375.947 4.201 10 0 GIAERN CCC[C@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)Nc2ccc(F)cc2)NC1=O ZINC000094992728 222329061 /nfs/dbraw/zinc/32/90/61/222329061.db2.gz HNSACNKFJSZIFJ-LBPRGKRZSA-N 0 0 393.484 4.183 10 0 GIAERN COc1ccc(CN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C(C)C)cc1 ZINC000095076289 222329561 /nfs/dbraw/zinc/32/95/61/222329561.db2.gz MHPURJBVGCUTRU-IBGZPJMESA-N 0 0 390.524 4.222 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2Cl)C2CC2)C1 ZINC000095084693 222329932 /nfs/dbraw/zinc/32/99/32/222329932.db2.gz QOSPNWBKLJWGBJ-INIZCTEOSA-N 0 0 392.927 4.478 10 0 GIAERN CC(C)N(Cc1ccccc1F)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088163 222329947 /nfs/dbraw/zinc/32/99/47/222329947.db2.gz RKPRERDNALIQEO-GOSISDBHSA-N 0 0 378.488 4.352 10 0 GIAERN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(Br)cc2Cl)C1 ZINC000095643229 222359007 /nfs/dbraw/zinc/35/90/07/222359007.db2.gz NNHIZVJTGUMGOW-ZDUSSCGKSA-N 0 0 376.678 4.411 10 0 GIAERN O=C(OCc1ccccc1)N1CCC(N2C(=O)Cc3cc(Cl)ccc32)CC1 ZINC000095835867 222360892 /nfs/dbraw/zinc/36/08/92/222360892.db2.gz BYMYZXZJHWJRPJ-UHFFFAOYSA-N 0 0 384.863 4.030 10 0 GIAERN COC(=O)n1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccc(Cl)nc21 ZINC000095937094 222361468 /nfs/dbraw/zinc/36/14/68/222361468.db2.gz GEKUFAAQLBWHBA-ZDUSSCGKSA-N 0 0 393.871 4.419 10 0 GIAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118912672 222521749 /nfs/dbraw/zinc/52/17/49/222521749.db2.gz HWAOMBULLIBDHL-PPXZIYOYSA-N 0 0 390.520 4.072 10 0 GIAERN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2Br)cc1 ZINC000226238200 519834998 /nfs/dbraw/zinc/83/49/98/519834998.db2.gz QZCRDZMMIVWEGM-UHFFFAOYSA-N 0 0 392.322 4.282 10 0 GIAERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1nc2ccccc2nc1NC1CC1 ZINC000095087368 534889406 /nfs/dbraw/zinc/88/94/06/534889406.db2.gz MDCJRZZLJXLYDZ-INIZCTEOSA-N 0 0 397.523 4.088 10 0 GIAERN CCCCOC(=O)[C@@H]1CC[C@@H](OCc2ccccc2)N1C(=O)OC(C)(C)C ZINC000504807708 528563881 /nfs/dbraw/zinc/56/38/81/528563881.db2.gz KTSYWVGNHOGWHT-ZWKOTPCHSA-N 0 0 377.481 4.272 10 0 GIAERN CCc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)cc1 ZINC000027546194 536190327 /nfs/dbraw/zinc/19/03/27/536190327.db2.gz XQYMYFLJQIIWLD-UHFFFAOYSA-N 0 0 390.491 4.066 10 0 GIAERN FC(F)(F)CO[C@H]1CC[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000006091992 560205198 /nfs/dbraw/zinc/20/51/98/560205198.db2.gz ULCWZQJLFZEXCS-KGLIPLIRSA-N 0 0 396.196 4.196 10 0 in-vitro GIAERN CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc[n+]([O-])c32)CC1 ZINC000022061880 570303915 /nfs/dbraw/zinc/30/39/15/570303915.db2.gz AEYRDESTWAYZTA-UHFFFAOYSA-N 0 0 398.890 4.126 10 0 in-vitro GIAERN O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004659706 570390000 /nfs/dbraw/zinc/39/00/00/570390000.db2.gz RRMHTYPNRHAZIT-SLDRDFCHSA-N 0 0 379.843 4.107 10 0 GIAERN CCC(=O)N(Cc1ccco1)Cc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000006690326 570533295 /nfs/dbraw/zinc/53/32/95/570533295.db2.gz HIUCBKMJFIXIAO-UHFFFAOYSA-N 0 0 391.393 4.482 10 0 GIAERN O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc2c1OCO2)NCc1cccnc1 ZINC000006704322 570544397 /nfs/dbraw/zinc/54/43/97/570544397.db2.gz OOLKVBLDLSBWNF-IBGZPJMESA-N 0 0 399.450 4.130 10 0 GIAERN CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)n1sc2ccccc2c1=O ZINC000006800120 570600526 /nfs/dbraw/zinc/60/05/26/570600526.db2.gz NZSNLIXVLSAZID-SFHVURJKSA-N 0 0 384.501 4.118 10 0 GIAERN CC(C)[C@H](NC(=O)c1cc(=O)n2c3ccccc3nc2s1)c1cccs1 ZINC000033008837 570620545 /nfs/dbraw/zinc/62/05/45/570620545.db2.gz HLRZJVNTMGANQC-KRWDZBQOSA-N 0 0 383.498 4.098 10 0 GIAERN CCC(=O)Nc1cc2c(cc1C)[C@H](c1cc3c(cc1Cl)OCO3)CC(=O)N2 ZINC000065387962 570811341 /nfs/dbraw/zinc/81/13/41/570811341.db2.gz IODRWVZVOZIZOG-NSHDSACASA-N 0 0 386.835 4.200 10 0 GIAERN Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccccc3)C2=O)cc1 ZINC000006918379 570906302 /nfs/dbraw/zinc/90/63/02/570906302.db2.gz IUEMIMQEAMBSMB-UHFFFAOYSA-N 0 0 378.453 4.331 10 0 GIAERN O=c1c2ccccc2n2c(-c3ccc(F)cc3)nnc2n1CCc1ccccc1 ZINC000006781245 230851467 /nfs/dbraw/zinc/85/14/67/230851467.db2.gz ZFIMLXYQTPHBFP-UHFFFAOYSA-N 0 0 384.414 4.093 10 0 GIAERN CCc1cccc2c(SCC(=O)NC3CC3)nc(-c3ccc(F)cc3)nc12 ZINC000001367740 212240498 /nfs/dbraw/zinc/24/04/98/212240498.db2.gz LRQYUYMYKDUZOG-UHFFFAOYSA-N 0 0 381.476 4.369 10 0 GIAERN Cc1nonc1NC(=O)CSc1nc(C2CCCCC2)nc2ccccc21 ZINC000001342581 212236613 /nfs/dbraw/zinc/23/66/13/212236613.db2.gz MBMXLACYDMNHQW-UHFFFAOYSA-N 0 0 383.477 4.100 10 0 GIAERN COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000034524838 212160930 /nfs/dbraw/zinc/16/09/30/212160930.db2.gz WMJUBLFKLAMLHS-FGZHOGPDSA-N 0 0 375.424 4.239 10 0 GIAERN O=C(Nc1nn(-c2ccc(F)cc2F)nc1-c1ccccc1)c1ccccc1 ZINC000090558024 212152412 /nfs/dbraw/zinc/15/24/12/212152412.db2.gz ACJMWGGZNUXMLC-UHFFFAOYSA-N 0 0 376.366 4.465 10 0 GIAERN O=C(CN1Cc2ccccc2C1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006733395 212148586 /nfs/dbraw/zinc/14/85/86/212148586.db2.gz NTAUBWQDOBNPEC-UHFFFAOYSA-N 0 0 378.422 4.186 10 0 GIAERN COCCN(Cc1cc2cc(OC)ccc2nc1Cl)C(=O)C1CCCCC1 ZINC000006145428 212148669 /nfs/dbraw/zinc/14/86/69/212148669.db2.gz TZLIOBTVOXOGBL-UHFFFAOYSA-N 0 0 390.911 4.452 10 0 GIAERN CN(C)C(=O)CSc1nc(-c2ccccc2)nc2c1cccc2C(F)(F)F ZINC000001367400 212144479 /nfs/dbraw/zinc/14/44/79/212144479.db2.gz KPKAEDRUZJVVEJ-UHFFFAOYSA-N 0 0 391.418 4.496 10 0 GIAERN CC(C)Oc1cc(Nc2nc(N[C@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 ZINC000073352978 212135039 /nfs/dbraw/zinc/13/50/39/212135039.db2.gz LBVKEEFIPBQIMD-SNVBAGLBSA-N 0 0 391.838 4.091 10 0 in-vitro GIAERN CCOC(=O)c1c(NC(=O)NCCCO)sc(C)c1-c1ccc(Cl)cc1 ZINC000045922419 212118081 /nfs/dbraw/zinc/11/80/81/212118081.db2.gz BGVZZBSWPDDSJL-UHFFFAOYSA-N 0 0 396.896 4.058 10 0 GIAERN Cc1cc(NC(=O)Cn2c(Cl)nc3ccccc32)ccc1Br ZINC000032683343 212116633 /nfs/dbraw/zinc/11/66/33/212116633.db2.gz OVRPNSKQMCZRMQ-UHFFFAOYSA-N 0 0 378.657 4.399 10 0 GIAERN COc1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1OC ZINC000226271838 212115358 /nfs/dbraw/zinc/11/53/58/212115358.db2.gz FLGKEVBZORPWCG-UHFFFAOYSA-N 0 0 380.322 4.037 10 0 GIAERN CC(C)c1ccc(Nc2nnc(CSc3ccc(F)cc3)c(=O)n2C)cc1 ZINC000334161551 212108295 /nfs/dbraw/zinc/10/82/95/212108295.db2.gz BYQNSMHRJMMIDG-UHFFFAOYSA-N 0 0 384.480 4.474 10 0 GIAERN CCSCn1c(Nc2ccc(CC)cc2)nnc(COc2ccccc2)c1=O ZINC000334161935 212107834 /nfs/dbraw/zinc/10/78/34/212107834.db2.gz HIOYRXNYLKJFNQ-UHFFFAOYSA-N 0 0 396.516 4.234 10 0 GIAERN O=C(C=Cc1ccccc1)Nc1nnc(SCC(=O)c2ccc(F)cc2)s1 ZINC000028627854 212110011 /nfs/dbraw/zinc/11/00/11/212110011.db2.gz VLDYKRMMVVHTEG-WDZFZDKYSA-N 0 0 399.472 4.304 10 0 GIAERN O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000011705440 212078228 /nfs/dbraw/zinc/07/82/28/212078228.db2.gz QXKZNNGPDNSABY-JOCHJYFZSA-N 0 0 393.508 4.265 10 0 GIAERN CCOC(=O)c1c2cc(NS(=O)(=O)CC)c(C)cc2oc1-c1ccccc1 ZINC000011615825 212077799 /nfs/dbraw/zinc/07/77/99/212077799.db2.gz RIFCEQUTOODITH-UHFFFAOYSA-N 0 0 387.457 4.347 10 0 GIAERN O=C(Nc1nccs1)/C(NC(=O)c1ccccc1)=C(\Cl)c1ccccc1 ZINC000002280047 220518683 /nfs/dbraw/zinc/51/86/83/220518683.db2.gz JMTYUDPXLYZIHE-FOCLMDBBSA-N 0 0 383.860 4.119 10 0 GIAERN CCOc1ccc2nc(Cl)c(CN(CCOC)C(=O)c3ccco3)cc2c1 ZINC000004881137 220783296 /nfs/dbraw/zinc/78/32/96/220783296.db2.gz MQTRENDULNSCPS-UHFFFAOYSA-N 0 0 388.851 4.169 10 0 GIAERN O=Cc1cc(Br)ccc1OC(=O)c1ccccc1Br ZINC000005867684 220904337 /nfs/dbraw/zinc/90/43/37/220904337.db2.gz UTHBBVROQUQLBG-UHFFFAOYSA-N 0 0 384.023 4.243 10 0 GIAERN Cc1cc(C)n(Cc2ccc(C)cc2)c1C(=O)NCc1ccc2c(c1)OCO2 ZINC000006800903 220963293 /nfs/dbraw/zinc/96/32/93/220963293.db2.gz SWAREBWCNUAODS-UHFFFAOYSA-N 0 0 376.456 4.120 10 0 GIAERN O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Nc2c1cnn2-c1ccccc1 ZINC000007778058 221011646 /nfs/dbraw/zinc/01/16/46/221011646.db2.gz ZOMODTJNZQBKJX-QFIPXVFZSA-N 0 0 396.450 4.305 10 0 GIAERN O=C(NOCc1ccccc1)c1cc(Br)c(Br)s1 ZINC000008096874 221026955 /nfs/dbraw/zinc/02/69/55/221026955.db2.gz YOQXYQPOHLLXBX-UHFFFAOYSA-N 0 0 391.084 4.135 10 0 GIAERN O=C(c1cnccn1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(Cl)c1 ZINC000011843043 221131783 /nfs/dbraw/zinc/13/17/83/221131783.db2.gz ADMPPVXJNBDGHK-OAQYLSRUSA-N 0 0 388.858 4.399 10 0 GIAERN Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000011662700 221118459 /nfs/dbraw/zinc/11/84/59/221118459.db2.gz BJWGVPXUBQLRJG-GOSISDBHSA-N 0 0 377.492 4.009 10 0 GIAERN Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)/C=C/c1cccs1)C2 ZINC000011975925 221140213 /nfs/dbraw/zinc/14/02/13/221140213.db2.gz QUMQQGGFQQLCJS-FVNWOWOISA-N 0 0 376.481 4.252 10 0 GIAERN CC(=O)c1cccc(NC(=O)N2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c1 ZINC000011998037 221142350 /nfs/dbraw/zinc/14/23/50/221142350.db2.gz YFQRYFJWUGNBAK-HNNXBMFYSA-N 0 0 386.398 4.294 10 0 GIAERN CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000012198937 221166783 /nfs/dbraw/zinc/16/67/83/221166783.db2.gz UYQWUVMXSDSZGJ-UHFFFAOYSA-N 0 0 386.517 4.302 10 0 GIAERN COc1ccc(-n2nnc(-c3nnc(-c4ccc(C)cc4)o3)c2C)cc1Cl ZINC000012274716 221174209 /nfs/dbraw/zinc/17/42/09/221174209.db2.gz UYBPUFSIIWMZPE-UHFFFAOYSA-N 0 0 381.823 4.263 10 0 GIAERN CN(Cc1csc(-c2cccs2)n1)c1nncc(-c2ccccc2F)n1 ZINC000012457931 221198210 /nfs/dbraw/zinc/19/82/10/221198210.db2.gz OYIYTFKQKAZZLL-UHFFFAOYSA-N 0 0 383.477 4.499 10 0 GIAERN COc1cccc([C@H]2C[C@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)c1 ZINC000012469464 221198340 /nfs/dbraw/zinc/19/83/40/221198340.db2.gz SRPHZJWELMANIS-HUUCEWRRSA-N 0 0 390.274 4.322 10 0 aggregator GIAERN O=C(CCCc1cccs1)N1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 ZINC000012583048 221210305 /nfs/dbraw/zinc/21/03/05/221210305.db2.gz AOLFPUHKRUGKNS-CQSZACIVSA-N 0 0 377.456 4.471 10 0 GIAERN COC(=O)c1ccc(-c2noc(CN(C)[C@H]3CCCc4ccccc43)n2)cc1 ZINC000012714121 221221029 /nfs/dbraw/zinc/22/10/29/221221029.db2.gz LFEOJUDKGUGGOL-IBGZPJMESA-N 0 0 377.444 4.033 10 0 GIAERN Cc1ncsc1CCC(=O)N[C@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 ZINC000012835827 221237336 /nfs/dbraw/zinc/23/73/36/221237336.db2.gz NGTFZMADXOXVGS-IBGZPJMESA-N 0 0 394.544 4.380 10 0 GIAERN COc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3nc(N)nc3N2)c1 ZINC000013131670 221262138 /nfs/dbraw/zinc/26/21/38/221262138.db2.gz XOODZJNZPOWTFL-HOTGVXAUSA-N 0 0 390.274 4.322 10 0 GIAERN O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)NCc1ccccn1 ZINC000015678335 221340367 /nfs/dbraw/zinc/34/03/67/221340367.db2.gz YHZXQZFIJLMVID-UHFFFAOYSA-N 0 0 387.458 4.473 10 0 GIAERN CCc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1 ZINC000015779186 221344890 /nfs/dbraw/zinc/34/48/90/221344890.db2.gz LVVAKTZOIBTVQU-UHFFFAOYSA-N 0 0 388.471 4.070 10 0 GIAERN O=C(NCCc1cccs1)c1cc(Br)c(Br)s1 ZINC000017909389 221384499 /nfs/dbraw/zinc/38/44/99/221384499.db2.gz DUQXZNDDAKVGBK-UHFFFAOYSA-N 0 0 395.141 4.307 10 0 GIAERN CN(C(=O)OC(C)(C)C)C1CCN(c2nc3ccccc3nc2Cl)CC1 ZINC000095074720 136177744 /nfs/dbraw/zinc/17/77/44/136177744.db2.gz WNTGONRDRPKCCU-UHFFFAOYSA-N 0 0 376.888 4.119 10 0 GIAERN COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)c1 ZINC000027921850 221662560 /nfs/dbraw/zinc/66/25/60/221662560.db2.gz CMMLXNGWZXARPT-UHFFFAOYSA-N 0 0 398.438 4.349 10 0 GIAERN O=C(Nc1ccc(Cl)cc1F)c1ccc(Cn2cc(Br)cn2)o1 ZINC000027980868 221664111 /nfs/dbraw/zinc/66/41/11/221664111.db2.gz DWWINVQXZMEFTP-UHFFFAOYSA-N 0 0 398.619 4.332 10 0 GIAERN Cc1nn(Cn2ccc(C(=O)Nc3cc(Cl)ccc3C)n2)c(C)c1Cl ZINC000028237565 221671008 /nfs/dbraw/zinc/67/10/08/221671008.db2.gz WENBMUHFIYOWKZ-UHFFFAOYSA-N 0 0 378.263 4.070 10 0 GIAERN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(-n4cccc4)cc3)o2)n1 ZINC000028237313 221671157 /nfs/dbraw/zinc/67/11/57/221671157.db2.gz CZGJPGAFXWAEOZ-GOSISDBHSA-N 0 0 388.471 4.423 10 0 GIAERN O=c1c2c(n(Cc3ccc(Cl)c(Cl)c3)c(=O)n1C1CCCCC1)CCC2 ZINC000032603892 221723705 /nfs/dbraw/zinc/72/37/05/221723705.db2.gz QYNIQGXOOQQUTJ-UHFFFAOYSA-N 0 0 393.314 4.359 10 0 GIAERN O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000032609902 221724430 /nfs/dbraw/zinc/72/44/30/221724430.db2.gz VYCVGVMSJZVOIO-DLBZAZTESA-N 0 0 385.826 4.454 10 0 GIAERN COc1cc(NC(=O)[C@@H]2CCCN(c3nccc4sccc43)C2)cc(OC)c1 ZINC000033174146 221777043 /nfs/dbraw/zinc/77/70/43/221777043.db2.gz CTEOJBCPVFNAKD-CQSZACIVSA-N 0 0 397.500 4.169 10 0 GIAERN O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000034916064 221810057 /nfs/dbraw/zinc/81/00/57/221810057.db2.gz WYJROHLRHDEOFY-HSZRJFAPSA-N 0 0 398.506 4.311 10 0 GIAERN Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@H](C)C2=O)cc1C ZINC000037521391 221872067 /nfs/dbraw/zinc/87/20/67/221872067.db2.gz ORLXZNFXHZMJOB-OAHLLOKOSA-N 0 0 390.405 4.200 10 0 GIAERN O=C(NCc1ccco1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)C2CCCC2)C1 ZINC000037546021 221872520 /nfs/dbraw/zinc/87/25/20/221872520.db2.gz YIPYJPGQMZOJBJ-PZJWPPBQSA-N 0 0 380.488 4.066 10 0 GIAERN CCOC(=O)c1c(C)c(C(=O)OC(C)C)sc1NC(=O)c1ccc(C)cc1 ZINC000040884448 221933385 /nfs/dbraw/zinc/93/33/85/221933385.db2.gz KYKMHVYCNUBGOC-UHFFFAOYSA-N 0 0 389.473 4.359 10 0 GIAERN O=C(Oc1cccc(Cl)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000040868826 221933584 /nfs/dbraw/zinc/93/35/84/221933584.db2.gz GYFHAJJXLRVWFL-UHFFFAOYSA-N 0 0 377.783 4.360 10 0 GIAERN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Nc1ccc(C(F)(F)F)cc1 ZINC000041105026 221937763 /nfs/dbraw/zinc/93/77/63/221937763.db2.gz ZDXRCAWAJKYMGU-MRXNPFEDSA-N 0 0 393.409 4.160 10 0 GIAERN Cc1ccc(C)c(OCCCOc2ccc(/C=C3/SC(=N)NC3=O)cc2)c1 ZINC000041077982 221938051 /nfs/dbraw/zinc/93/80/51/221938051.db2.gz DVNPUKXVUNROFW-CPNJWEJPSA-N 0 0 382.485 4.290 10 0 GIAERN O=C(NCc1ccc(Br)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057413531 222032505 /nfs/dbraw/zinc/03/25/05/222032505.db2.gz WXSRSZQGFGBHGT-UHFFFAOYSA-N 0 0 390.668 4.423 10 0 GIAERN CC(C)CCNC(=O)/C(=C\c1cnn(-c2ccccc2)c1)c1nc2ccccc2[nH]1 ZINC000050632368 222004961 /nfs/dbraw/zinc/00/49/61/222004961.db2.gz HGQJRHKRJCZLOT-ZHZULCJRSA-N 0 0 399.498 4.452 10 0 GIAERN O[C@H](Cc1cccc(Br)c1)Cc1cc(F)ccc1Br ZINC000053784778 222012438 /nfs/dbraw/zinc/01/24/38/222012438.db2.gz JJQIBCHWCAXNAW-CQSZACIVSA-N 0 0 388.074 4.497 10 0 GIAERN CSc1ncccc1C(=O)N1CCC[C@H](c2noc(-c3cccc(F)c3)n2)C1 ZINC000065149445 222103254 /nfs/dbraw/zinc/10/32/54/222103254.db2.gz NYIFOXCEAOXTJD-AWEZNQCLSA-N 0 0 398.463 4.012 10 0 GIAERN CSc1cccc(NC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)c1 ZINC000065169036 222104957 /nfs/dbraw/zinc/10/49/57/222104957.db2.gz IVORILVHNDKTMT-UHFFFAOYSA-N 0 0 376.485 4.456 10 0 GIAERN CCCn1ccc2oc(C)c(C(=O)N[C@@H](CC)c3ccc(OC)cc3)c2c1=O ZINC000065230392 222112905 /nfs/dbraw/zinc/11/29/05/222112905.db2.gz OQMSAMOITMIOMX-KRWDZBQOSA-N 0 0 382.460 4.203 10 0 GIAERN CCOc1ccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2Cl)cc1 ZINC000064896448 222087338 /nfs/dbraw/zinc/08/73/38/222087338.db2.gz CQMCYRNIVGSMRF-UHFFFAOYSA-N 0 0 393.834 4.120 10 0 GIAERN O=C(Nc1cc(F)ccc1F)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272870 222119194 /nfs/dbraw/zinc/11/91/94/222119194.db2.gz VAOCDMXDJYTACZ-GFCCVEGCSA-N 0 0 390.455 4.006 10 0 GIAERN [NH3+]Cc1ccc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)[O-])cc1 ZINC000065396497 222126986 /nfs/dbraw/zinc/12/69/86/222126986.db2.gz RLTBPXJZTOWMEO-UHFFFAOYSA-N 0 0 383.451 4.422 10 0 GIAERN COC(=O)[C@@](C)(c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000071973529 222201447 /nfs/dbraw/zinc/20/14/47/222201447.db2.gz JEQBEZLHAWBLCD-UPVQGACJSA-N 0 0 376.452 4.430 10 0 GIAERN Clc1ccc(CN2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)cc1 ZINC000072169948 222214434 /nfs/dbraw/zinc/21/44/34/222214434.db2.gz UEOTUJABNLEQPV-UHFFFAOYSA-N 0 0 384.955 4.496 10 0 GIAERN CC(=O)c1nc2ccccc2n1C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000095082713 222328494 /nfs/dbraw/zinc/32/84/94/222328494.db2.gz DDOSYCRHZJJEGL-SFHVURJKSA-N 0 0 377.444 4.040 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(C[S@@](=O)c2nc3ccccc3s2)CC1 ZINC000095084407 222330101 /nfs/dbraw/zinc/33/01/01/222330101.db2.gz GWHKUNLSDQAENK-VWLOTQADSA-N 0 0 380.535 4.051 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COCc1cnc(Cl)nc1Cl ZINC000095086682 222330176 /nfs/dbraw/zinc/33/01/76/222330176.db2.gz NREABQLXZXKVGX-GFCCVEGCSA-N 0 0 376.284 4.090 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000095086168 222330207 /nfs/dbraw/zinc/33/02/07/222330207.db2.gz RQUWEWJGRJBHNF-SFHVURJKSA-N 0 0 376.472 4.106 10 0 GIAERN CC(C)N(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088129 222330426 /nfs/dbraw/zinc/33/04/26/222330426.db2.gz UWSHIOQNIVNMHC-SFHVURJKSA-N 0 0 378.488 4.352 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc3ccccc3nc2NC2CC2)C1 ZINC000095084548 222330903 /nfs/dbraw/zinc/33/09/03/222330903.db2.gz NKVIZBIYCBTIOZ-OAHLLOKOSA-N 0 0 383.496 4.016 10 0 GIAERN COc1ccc2c(=O)cc(-c3csc(NC(C)C)n3)[nH]c2c1Br ZINC000095803806 222360480 /nfs/dbraw/zinc/36/04/80/222360480.db2.gz ARAQVIVZUIBJRY-UHFFFAOYSA-N 0 0 394.294 4.243 10 0 GIAERN COC(=O)n1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccc(Cl)nc21 ZINC000095937095 222360795 /nfs/dbraw/zinc/36/07/95/222360795.db2.gz GEKUFAAQLBWHBA-CYBMUJFWSA-N 0 0 393.871 4.419 10 0 GIAERN CN(Cc1nn2c(nnc2-c2cc3ccccc3o2)s1)Cc1ccccc1 ZINC000096194077 222397242 /nfs/dbraw/zinc/39/72/42/222397242.db2.gz RUQABSKVKOKJOT-UHFFFAOYSA-N 0 0 375.457 4.231 10 0 GIAERN COc1ccc(-c2nc(CN3CCCC[C@@H]3c3nccn3C)c(C)o2)c(F)c1 ZINC000095520530 222346009 /nfs/dbraw/zinc/34/60/09/222346009.db2.gz LTZZYZFCPRBFJS-LJQANCHMSA-N 0 0 384.455 4.258 10 0 GIAERN O=S(=O)(Nc1cc(Br)cc(Br)c1)c1ccccc1 ZINC000100696739 222460664 /nfs/dbraw/zinc/46/06/64/222460664.db2.gz DBJSRBJTJUHROD-UHFFFAOYSA-N 0 0 391.084 4.012 10 0 GIAERN Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(C=O)cc2)c1 ZINC000504198328 533748247 /nfs/dbraw/zinc/74/82/47/533748247.db2.gz CDYIZQYJPMVIOR-UHFFFAOYSA-N 0 0 380.465 4.360 10 0 GIAERN CCCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652656 521431355 /nfs/dbraw/zinc/43/13/55/521431355.db2.gz ZGCQDTXOHKJFRY-SFHVURJKSA-N 0 0 376.497 4.435 10 0 GIAERN COc1ccc(-c2cc(=O)[nH]c(NCc3ccccc3C(F)(F)F)n2)cc1 ZINC000057341849 523088515 /nfs/dbraw/zinc/08/85/15/523088515.db2.gz FWUSIVVNWHQIHU-UHFFFAOYSA-N 0 0 375.350 4.076 10 0 GIAERN COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3Br)n2)c1 ZINC000057341450 525698210 /nfs/dbraw/zinc/69/82/10/525698210.db2.gz MLRKEQNARYWCLK-UHFFFAOYSA-N 0 0 390.212 4.091 10 0 GIAERN CC(C)c1cc(C(C)C)n(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000022624248 570209846 /nfs/dbraw/zinc/20/98/46/570209846.db2.gz JYAAKRMPEXSZER-UHFFFAOYSA-N 0 0 383.492 4.336 10 0 GIAERN Cc1cccc(NC(=S)N(Cc2ccncc2)C[C@H]2CCCO2)c1Cl ZINC000020418082 570254681 /nfs/dbraw/zinc/25/46/81/570254681.db2.gz GKLZGEJWSHYGLU-MRXNPFEDSA-N 0 0 375.925 4.421 10 0 GIAERN CC(C)(C)CNC(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000023458832 570324450 /nfs/dbraw/zinc/32/44/50/570324450.db2.gz LGRFKXCRZUUDEK-UHFFFAOYSA-N 0 0 391.500 4.320 10 0 GIAERN O=C(NCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003115077 570328960 /nfs/dbraw/zinc/32/89/60/570328960.db2.gz JAHZDMIQILIWPD-UHFFFAOYSA-N 0 0 379.287 4.324 10 0 GIAERN CCn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000034903487 570338652 /nfs/dbraw/zinc/33/86/52/570338652.db2.gz YVEUUCACEQFTHR-SFHVURJKSA-N 0 0 389.455 4.106 10 0 GIAERN CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000005125108 570421047 /nfs/dbraw/zinc/42/10/47/570421047.db2.gz ZHAVZSLGALCHPM-BDJLRTHQSA-N 0 0 395.297 4.056 10 0 GIAERN CC[C@H](C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1cccc2ccccc21 ZINC000035746256 570439543 /nfs/dbraw/zinc/43/95/43/570439543.db2.gz VFBIPCJWPYJLEV-AWEZNQCLSA-N 0 0 381.501 4.484 10 0 GIAERN Cc1cc(NC(=S)N(Cc2ccccn2)C[C@@H]2CCCO2)ccc1Cl ZINC000006386401 570478619 /nfs/dbraw/zinc/47/86/19/570478619.db2.gz YHDSWLMGCXENFC-KRWDZBQOSA-N 0 0 375.925 4.421 10 0 GIAERN Cc1ccc(C)c(S(=O)(=O)n2nc3c4c2cccc4C(=O)c2ccccc2-3)c1 ZINC000005553615 570632969 /nfs/dbraw/zinc/63/29/69/570632969.db2.gz OZAXCRTVWYWAFM-UHFFFAOYSA-N 0 0 388.448 4.102 10 0 GIAERN O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCCC1 ZINC000002701134 570679329 /nfs/dbraw/zinc/67/93/29/570679329.db2.gz PAAVEWQTLCEKEC-BMRADRMJSA-N 0 0 388.558 4.071 10 0 GIAERN Cc1cc(OCC(=O)Nc2cc(C)c(O)c(Br)c2)ccc1Cl ZINC000226243248 570935064 /nfs/dbraw/zinc/93/50/64/570935064.db2.gz ASXDJQAIWCNMPX-UHFFFAOYSA-N 0 0 384.657 4.442 10 0 GIAERN CC(C)NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1 ZINC000037600419 571036781 /nfs/dbraw/zinc/03/67/81/571036781.db2.gz MIHKEPPVXHRKEO-UHFFFAOYSA-N 0 0 376.456 4.194 10 0 GIAERN COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2C)sc2c1CCC2 ZINC000001956381 212260625 /nfs/dbraw/zinc/26/06/25/212260625.db2.gz LFRCISFAYCHQAS-UHFFFAOYSA-N 0 0 387.501 4.438 10 0 GIAERN COc1ccc(NC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)cc1 ZINC000001359461 212239123 /nfs/dbraw/zinc/23/91/23/212239123.db2.gz XAWDENRWBJEAHC-UHFFFAOYSA-N 0 0 384.461 4.218 10 0 GIAERN CN(C)c1ccc(-c2cc(-c3ccccc3)nc3sc(C(N)=O)c(N)c32)cc1 ZINC000001105102 212217900 /nfs/dbraw/zinc/21/79/00/212217900.db2.gz VTWAGFACRNYHEP-UHFFFAOYSA-N 0 0 388.496 4.377 10 0 GIAERN CC1(C)C[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)c(Cl)cc32)NC(=S)N1 ZINC000001065158 212212367 /nfs/dbraw/zinc/21/23/67/212212367.db2.gz UVYLWXKTTBQOBE-FXAWDEMLSA-N 0 0 388.920 4.411 10 0 GIAERN O=C1O[C@H](c2ccc(Cl)cc2)C[C@H]1N1CCN(c2cccc(Cl)c2)CC1 ZINC000033892452 212160419 /nfs/dbraw/zinc/16/04/19/212160419.db2.gz SALCPWWMPIUGMH-MOPGFXCFSA-N 0 0 391.298 4.172 10 0 GIAERN O=C(Nc1nn(-c2cc(F)ccc2F)nc1-c1ccccc1)c1ccccc1 ZINC000090558037 212151187 /nfs/dbraw/zinc/15/11/87/212151187.db2.gz KONBENOHQDJISW-UHFFFAOYSA-N 0 0 376.366 4.465 10 0 GIAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000006020036 212148680 /nfs/dbraw/zinc/14/86/80/212148680.db2.gz BZPZSEYSAKUKKE-HNNXBMFYSA-N 0 0 395.544 4.103 10 0 GIAERN COc1cc(OC)cc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)c1 ZINC000226272272 212115046 /nfs/dbraw/zinc/11/50/46/212115046.db2.gz JJAQUTMUDXMARO-UHFFFAOYSA-N 0 0 380.322 4.321 10 0 GIAERN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(-n2cnnc2)c1 ZINC000032646842 212109383 /nfs/dbraw/zinc/10/93/83/212109383.db2.gz ZEFNQGKPJOEDSO-OAHLLOKOSA-N 0 0 378.476 4.415 10 0 GIAERN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)[C@@H]1CCCO1 ZINC000028284587 212109005 /nfs/dbraw/zinc/10/90/05/212109005.db2.gz NMLXXAJHXZFERL-INIZCTEOSA-N 0 0 389.473 4.108 10 0 GIAERN C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1Br ZINC000016087462 212104257 /nfs/dbraw/zinc/10/42/57/212104257.db2.gz BHLXDELAEDXASD-QMMMGPOBSA-N 0 0 380.716 4.204 10 0 GIAERN O=C(Nc1ccc2c(c1)CN(C(=O)c1cncs1)CC2)c1ccccc1Cl ZINC000011661505 212077331 /nfs/dbraw/zinc/07/73/31/212077331.db2.gz ZTXLASPIRUZMMC-UHFFFAOYSA-N 0 0 397.887 4.247 10 0 GIAERN COC(=O)c1cc(Br)ccc1NC(=O)c1c(C)cc(C)cc1C ZINC000005697509 220892157 /nfs/dbraw/zinc/89/21/57/220892157.db2.gz CLTUGSNMRZAARF-UHFFFAOYSA-N 0 0 376.250 4.413 10 0 GIAERN CCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)c2ccco2)c1 ZINC000006722233 220953838 /nfs/dbraw/zinc/95/38/38/220953838.db2.gz OAPFWMZETJQTRO-UHFFFAOYSA-N 0 0 395.459 4.130 10 0 GIAERN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)C(C)C)c1 ZINC000006739637 220955843 /nfs/dbraw/zinc/95/58/43/220955843.db2.gz CWTLMMFUBDDZRU-NRFANRHFSA-N 0 0 384.501 4.458 10 0 GIAERN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN1Cc1ccncc1 ZINC000011818364 221127216 /nfs/dbraw/zinc/12/72/16/221127216.db2.gz MDRORICITCTTOP-JOCHJYFZSA-N 0 0 375.447 4.491 10 0 GIAERN O=C(c1cn2ccsc2n1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000011664732 221120628 /nfs/dbraw/zinc/12/06/28/221120628.db2.gz QQKISEISARSZBL-HXUWFJFHSA-N 0 0 399.479 4.060 10 0 GIAERN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@@H](CNC(=O)C1CCC1)C2 ZINC000012001366 221142567 /nfs/dbraw/zinc/14/25/67/221142567.db2.gz OAWZOCRLBHAULW-MRXNPFEDSA-N 0 0 378.497 4.492 10 0 GIAERN O=C(N1CCC[C@](CO)(Cc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000012073845 221147336 /nfs/dbraw/zinc/14/73/36/221147336.db2.gz UHPASZZUDWVDCL-YIEZCRKJSA-N 0 0 385.523 4.186 10 0 GIAERN Cc1nc(C(=O)N(Cc2cc3ccc(C)cc3nc2N(C)C)C2CC2)cs1 ZINC000012080040 221147866 /nfs/dbraw/zinc/14/78/66/221147866.db2.gz PJXOIBRDQOHYPS-UHFFFAOYSA-N 0 0 380.517 4.179 10 0 GIAERN CCCCNC(=O)c1sc2ncnc(NCCc3ccccc3OC)c2c1C ZINC000012279809 221174225 /nfs/dbraw/zinc/17/42/25/221174225.db2.gz NIIUOSQDLHGDNV-UHFFFAOYSA-N 0 0 398.532 4.193 10 0 GIAERN O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)N1CCCCCC1 ZINC000012576690 221208512 /nfs/dbraw/zinc/20/85/12/221208512.db2.gz JENKOCOBZMUPHH-UHFFFAOYSA-N 0 0 381.398 4.014 10 0 GIAERN Cc1oc(-c2cccs2)nc1CN1CCC[C@H](CCC(=O)N2CCCC2)C1 ZINC000012583778 221209749 /nfs/dbraw/zinc/20/97/49/221209749.db2.gz SJVXNLIWSXFQNH-QGZVFWFLSA-N 0 0 387.549 4.326 10 0 GIAERN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](CCC(=O)N2CCCC2)C1 ZINC000012583770 221210358 /nfs/dbraw/zinc/21/03/58/221210358.db2.gz SJVXNLIWSXFQNH-KRWDZBQOSA-N 0 0 387.549 4.326 10 0 GIAERN COC(=O)c1cccn2cc(CN3CCC[C@H]3c3nc4ccccc4s3)nc12 ZINC000012580260 221210469 /nfs/dbraw/zinc/21/04/69/221210469.db2.gz HGSWGZWYIOMVKU-KRWDZBQOSA-N 0 0 392.484 4.068 10 0 GIAERN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)n3nc(N)nc3N2)cc1 ZINC000013131586 221262004 /nfs/dbraw/zinc/26/20/04/221262004.db2.gz XBZSSUUTNKWRGZ-HZPDHXFCSA-N 0 0 390.274 4.322 10 0 GIAERN O=C1NC(=O)N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 ZINC000013652002 221279356 /nfs/dbraw/zinc/27/93/56/221279356.db2.gz MVPIENYYKQWKFZ-UHFFFAOYSA-N 0 0 378.259 4.141 10 0 GIAERN Cc1ncoc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000014967868 221321913 /nfs/dbraw/zinc/32/19/13/221321913.db2.gz QSQODYSBELEHGX-GOSISDBHSA-N 0 0 378.476 4.274 10 0 GIAERN COc1cc(-c2nc(C)cnc2C)cc2c1OCCN(Cc1ccccc1)C2 ZINC000014999973 221326365 /nfs/dbraw/zinc/32/63/65/221326365.db2.gz JIEOBYUHGVWRJZ-UHFFFAOYSA-N 0 0 375.472 4.164 10 0 GIAERN CSCCCNC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C ZINC000015070679 221328969 /nfs/dbraw/zinc/32/89/69/221328969.db2.gz MIJZQPGBOXJEDI-UHFFFAOYSA-N 0 0 392.594 4.253 10 0 GIAERN O=C(C1CCCCC1)N(Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccn1 ZINC000015070340 221329089 /nfs/dbraw/zinc/32/90/89/221329089.db2.gz RBYIZMVXGWLPQS-QHCPKHFHSA-N 0 0 394.515 4.358 10 0 GIAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(O)cc1 ZINC000015920682 221352240 /nfs/dbraw/zinc/35/22/40/221352240.db2.gz CAQJYRUMBNWUMR-HXUWFJFHSA-N 0 0 397.862 4.017 10 0 GIAERN COc1cc(NC(=S)N(Cc2ccco2)Cc2ccccn2)cc(OC)c1 ZINC000020228130 221477799 /nfs/dbraw/zinc/47/77/99/221477799.db2.gz AQQNEUZRTYATPB-UHFFFAOYSA-N 0 0 383.473 4.091 10 0 GIAERN COc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1cccc(Br)c1 ZINC000409416195 533480628 /nfs/dbraw/zinc/48/06/28/533480628.db2.gz DNKQUCCIVSTYEO-WAYWQWQTSA-N 0 0 396.668 4.189 10 0 GIAERN Cc1ccc2c(c1)OC[C@@H](CC(=O)Nc1nccs1)N2Cc1ccc(F)cc1 ZINC000096323006 136186566 /nfs/dbraw/zinc/18/65/66/136186566.db2.gz WCWZDSKLYNBJCC-QGZVFWFLSA-N 0 0 397.475 4.387 10 0 GIAERN O=C(/C=C\c1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000096505740 136187292 /nfs/dbraw/zinc/18/72/92/136187292.db2.gz PENPZKRXEPKZRI-TWGQIWQCSA-N 0 0 378.369 4.207 10 0 GIAERN CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(Br)o2)CC1 ZINC000226254042 136192664 /nfs/dbraw/zinc/19/26/64/136192664.db2.gz LXDHIDZRPUNJPZ-UHFFFAOYSA-N 0 0 378.270 4.113 10 0 GIAERN O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1cc(F)ccc1F ZINC000028304580 221674342 /nfs/dbraw/zinc/67/43/42/221674342.db2.gz CSKYQWSAFCAVOI-UHFFFAOYSA-N 0 0 381.741 4.243 10 0 GIAERN COc1ccc(CCNC(=O)/C=C\c2ccc(Cl)cc2Cl)cc1OC ZINC000033282810 221783694 /nfs/dbraw/zinc/78/36/94/221783694.db2.gz QCUSGXPILUYUCC-YVMONPNESA-N 0 0 380.271 4.383 10 0 GIAERN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccco1 ZINC000033323321 221787028 /nfs/dbraw/zinc/78/70/28/221787028.db2.gz XRLIZODNJKPRQV-ZROIWOOFSA-N 0 0 375.427 4.227 10 0 GIAERN CCNC(=O)N1[C@@H](c2ccc(OC)cc2)CC(=O)[C@@H](C)[C@@H]1c1ccc(OC)cc1 ZINC000033882219 221796566 /nfs/dbraw/zinc/79/65/66/221796566.db2.gz QWBPPHYOMDHWMW-RBQRDFNRSA-N 0 0 396.487 4.127 10 0 GIAERN CCNC(=O)N1[C@@H](c2ccc(OC)cc2)[C@H](C)C(=O)C[C@H]1c1ccc(OC)cc1 ZINC000033882218 221797295 /nfs/dbraw/zinc/79/72/95/221797295.db2.gz QWBPPHYOMDHWMW-UPKQVVFYSA-N 0 0 396.487 4.127 10 0 GIAERN CCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C1CC1 ZINC000035809331 221833573 /nfs/dbraw/zinc/83/35/73/221833573.db2.gz KYDUUUBIVQJAPC-UHFFFAOYSA-N 0 0 396.531 4.341 10 0 GIAERN O=C(NCc1ccco1)[C@H]1CC[C@@H](c2ccccc2)N(C(=O)C2CCCC2)C1 ZINC000037546020 221873396 /nfs/dbraw/zinc/87/33/96/221873396.db2.gz YIPYJPGQMZOJBJ-FPOVZHCZSA-N 0 0 380.488 4.066 10 0 GIAERN COc1cc2c(cc1OC)CN(C(=O)N[C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000056910163 222026082 /nfs/dbraw/zinc/02/60/82/222026082.db2.gz HFKMTZHWFZVMSW-GOSISDBHSA-N 0 0 386.879 4.112 10 0 GIAERN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NC1CCCC1)CO2)c1ccc(Cl)cc1 ZINC000065082823 222098921 /nfs/dbraw/zinc/09/89/21/222098921.db2.gz XLPOSTGILWVZDS-MRXNPFEDSA-N 0 0 398.890 4.202 10 0 GIAERN O=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnc(Nc3ccccc3)n2)C1 ZINC000065147851 222103917 /nfs/dbraw/zinc/10/39/17/222103917.db2.gz UANFCEYGUQTCHE-KRWDZBQOSA-N 0 0 376.435 4.379 10 0 GIAERN COc1ccccc1NC(=O)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1 ZINC000065173123 222106025 /nfs/dbraw/zinc/10/60/25/222106025.db2.gz UEGWIYDVQSROLX-UHFFFAOYSA-N 0 0 394.450 4.432 10 0 GIAERN Cc1ccc(CNC(=O)Cn2c(C)cc(-c3nnc(-c4cccs4)o3)c2C)o1 ZINC000065194831 222108510 /nfs/dbraw/zinc/10/85/10/222108510.db2.gz PHSZUHVJYXKULK-UHFFFAOYSA-N 0 0 396.472 4.101 10 0 GIAERN Cc1cc(C)cc(S(=O)(=O)N2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000064660538 222076584 /nfs/dbraw/zinc/07/65/84/222076584.db2.gz UFLLROIYMKFPMW-UHFFFAOYSA-N 0 0 384.526 4.174 10 0 GIAERN O=C(c1ccc[nH]1)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067934509 222166628 /nfs/dbraw/zinc/16/66/28/222166628.db2.gz ZBLTUVDXPGNPKU-UHFFFAOYSA-N 0 0 382.467 4.117 10 0 GIAERN Fc1ccc(-c2cc(CC3(NCc4cnc5ccccc5c4)COC3)no2)cc1 ZINC000067897860 222166706 /nfs/dbraw/zinc/16/67/06/222166706.db2.gz BHXVFMOQKOYWPC-UHFFFAOYSA-N 0 0 389.430 4.130 10 0 GIAERN CCOC(=O)CCCOc1ccc2c(c1Cl)CN(C1CCCCC1)C2=O ZINC000089211014 222327260 /nfs/dbraw/zinc/32/72/60/222327260.db2.gz XTCVSHGDXUQMNO-UHFFFAOYSA-N 0 0 379.884 4.351 10 0 GIAERN CN(Cc1cnc(Cl)nc1Cl)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075065 222329300 /nfs/dbraw/zinc/32/93/00/222329300.db2.gz ZAQLKUIEVBZWKF-CYBMUJFWSA-N 0 0 389.327 4.005 10 0 GIAERN CCOc1nc2ccccc2nc1NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091815 222330066 /nfs/dbraw/zinc/33/00/66/222330066.db2.gz OLTWOUKTGVQVKL-OAHLLOKOSA-N 0 0 386.496 4.088 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1cccc(Br)n1 ZINC000095086320 222330415 /nfs/dbraw/zinc/33/04/15/222330415.db2.gz BFRMVNQFEYHVPK-CYBMUJFWSA-N 0 0 385.302 4.403 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2nc3ccccc3nc2N)C1 ZINC000095085059 222330459 /nfs/dbraw/zinc/33/04/59/222330459.db2.gz BSDJCSXANDQWSZ-HNNXBMFYSA-N 0 0 386.496 4.018 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COCc1ccnc(Br)c1 ZINC000095086670 222330603 /nfs/dbraw/zinc/33/06/03/222330603.db2.gz ZZGZLZXZGXEJGG-CQSZACIVSA-N 0 0 385.302 4.150 10 0 GIAERN Cc1nn(Cc2cccc(C(=O)N3CCC(C)CC3)c2)c(C)c1Br ZINC000027970740 526292393 /nfs/dbraw/zinc/29/23/93/526292393.db2.gz ZRCJQIHROCHYPC-UHFFFAOYSA-N 0 0 390.325 4.183 10 0 GIAERN C[C@@H]1Cc2c3cc(F)c(Cl)cc3[nH]c2[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000043208569 570232962 /nfs/dbraw/zinc/23/29/62/570232962.db2.gz CKLPLPZSUQEDRT-YLVJLNSGSA-N 0 0 390.245 4.344 10 0 GIAERN C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1cccc(Cl)c1 ZINC000020312263 570252312 /nfs/dbraw/zinc/25/23/12/570252312.db2.gz UDIBWECPLOVXDR-GFCCVEGCSA-N 0 0 385.876 4.210 10 0 GIAERN CC1CCN(C(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000004904293 570360964 /nfs/dbraw/zinc/36/09/64/570360964.db2.gz BXZSGNBFPVACCV-UHFFFAOYSA-N 0 0 391.515 4.480 10 0 GIAERN CCCCNC(=O)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccc(F)cc1 ZINC000006733936 570558585 /nfs/dbraw/zinc/55/85/85/570558585.db2.gz HJSPYLLVKRHSSQ-WIYYLYMNSA-N 0 0 392.540 4.206 10 0 GIAERN COc1cc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000036246320 570580806 /nfs/dbraw/zinc/58/08/06/570580806.db2.gz BESDJCXQAKBSEX-UHFFFAOYSA-N 0 0 397.496 4.408 10 0 GIAERN CC(C)c1noc([C@@H](Nc2ncnc3cc(Cl)ccc32)C2CCOCC2)n1 ZINC000275536755 570696065 /nfs/dbraw/zinc/69/60/65/570696065.db2.gz ZGVOLNVBTDKQQX-INIZCTEOSA-N 0 0 387.871 4.369 10 0 GIAERN C[C@@H](NC(=O)Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)c1ccccc1 ZINC000023242386 570991187 /nfs/dbraw/zinc/99/11/87/570991187.db2.gz KCYQGXHWKXUIHY-CQSZACIVSA-N 0 0 397.475 4.034 10 0 GIAERN NC(=O)/C=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409416131 231205128 /nfs/dbraw/zinc/20/51/28/231205128.db2.gz CEHZCQGFIXIAHC-PLNGDYQASA-N 0 0 384.632 4.319 10 0 GIAERN COCOc1cc2c(cc1O)[C@@H]1CC[C@]3(C)[C@H](OCOC)CC[C@@H]3[C@H]1CC2 ZINC000256455219 222745683 /nfs/dbraw/zinc/74/56/83/222745683.db2.gz XXXVHIQGIYOGRK-CVPGBNADSA-N 0 0 376.493 4.220 10 0 GIAERN CCOc1ccc(/C=C/C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC ZINC000001934800 212260271 /nfs/dbraw/zinc/26/02/71/212260271.db2.gz YHFYJIZMEZKBPM-VQHVLOKHSA-N 0 0 391.851 4.416 10 0 GIAERN COc1ccccc1C(=O)c1cc(-c2ccncc2)c(N2CCC(=O)CC2)s1 ZINC000035069724 212161087 /nfs/dbraw/zinc/16/10/87/212161087.db2.gz OLNILYOUDDBAJG-UHFFFAOYSA-N 0 0 392.480 4.219 10 0 GIAERN O=C1O[C@H](c2cccc(Cl)c2)[C@@](Cn2cncn2)(c2cccc(Cl)c2)O1 ZINC000026008994 212158681 /nfs/dbraw/zinc/15/86/81/212158681.db2.gz VXUWLZQPINPMDL-SJLPKXTDSA-N 0 0 390.226 4.389 10 0 GIAERN CN(C)c1nc(Cl)nc2c1ncn2Cc1cccc(OCc2ccccc2)c1 ZINC000026144089 212158741 /nfs/dbraw/zinc/15/87/41/212158741.db2.gz AVEAACUNZYBTGH-UHFFFAOYSA-N 0 0 393.878 4.173 10 0 GIAERN CCOC(=O)c1ccc(OCCCC2CCN(c3ccc(C)nn3)CC2)cc1 ZINC000003789812 212146479 /nfs/dbraw/zinc/14/64/79/212146479.db2.gz UEIUDEUUVLYRFV-UHFFFAOYSA-N 0 0 383.492 4.037 10 0 in-vivo GIAERN CCN1c2cscc2S(=O)(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000006385240 212148345 /nfs/dbraw/zinc/14/83/45/212148345.db2.gz ARPLDERGMCEBTO-UHFFFAOYSA-N 0 0 391.301 4.206 10 0 GIAERN O=C1N(Cc2ccccc2)c2sccc2S(=O)(=O)N1Cc1ccccc1 ZINC000006579974 212147364 /nfs/dbraw/zinc/14/73/64/212147364.db2.gz VHSHYVYKFHNDKZ-UHFFFAOYSA-N 0 0 384.482 4.079 10 0 GIAERN CCCCOc1ccc([C@H]2OC(=O)C(Br)=C2Br)cc1 ZINC000003619450 212145757 /nfs/dbraw/zinc/14/57/57/212145757.db2.gz CLGNSHMVZBJLJV-CYBMUJFWSA-N 0 0 390.071 4.465 10 0 GIAERN COc1cccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2OC)c1 ZINC000226288243 212114706 /nfs/dbraw/zinc/11/47/06/212114706.db2.gz JNNIJMHMYFEADG-UHFFFAOYSA-N 0 0 388.423 4.117 10 0 GIAERN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000226283807 212114296 /nfs/dbraw/zinc/11/42/96/212114296.db2.gz BFBPOMKSEFJTGW-UHFFFAOYSA-N 0 0 394.349 4.427 10 0 GIAERN COc1ccc(C)cc1S(=O)(=O)N(Cc1ccco1)Cc1ccccc1C ZINC000027914231 212109592 /nfs/dbraw/zinc/10/95/92/212109592.db2.gz GEOUOBPGASKHTQ-UHFFFAOYSA-N 0 0 385.485 4.296 10 0 GIAERN CCCOc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)c2C(=O)OC)cc1 ZINC000028284549 212108938 /nfs/dbraw/zinc/10/89/38/212108938.db2.gz ZFEJFPKFWNOSCX-INIZCTEOSA-N 0 0 389.473 4.108 10 0 GIAERN Cc1nc(C)c(C(=O)OCc2ccccc2)cc1C(=O)OCc1ccccc1 ZINC000003102278 220603291 /nfs/dbraw/zinc/60/32/91/220603291.db2.gz ATRDYRHRYLHQSV-UHFFFAOYSA-N 0 0 375.424 4.412 10 0 GIAERN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)cc1)CSC2 ZINC000004077209 220678238 /nfs/dbraw/zinc/67/82/38/220678238.db2.gz BRNUUPALRKLGQK-UHFFFAOYSA-N 0 0 380.311 4.400 10 0 GIAERN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)[C@H]1COc2ccccc2O1 ZINC000004331446 220707282 /nfs/dbraw/zinc/70/72/82/220707282.db2.gz MXGZAVMWKJDIBJ-LLVKDONJSA-N 0 0 381.240 4.382 10 0 GIAERN COc1cc(/C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000006008386 220911781 /nfs/dbraw/zinc/91/17/81/220911781.db2.gz ZFNPYOBLIZVUNN-KTKRTIGZSA-N 0 0 395.499 4.207 10 0 GIAERN O=C(NCc1ccco1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000007736429 221009522 /nfs/dbraw/zinc/00/95/22/221009522.db2.gz HWJCCVJGDBHESK-UHFFFAOYSA-N 0 0 378.819 4.111 10 0 GIAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000007808004 221013560 /nfs/dbraw/zinc/01/35/60/221013560.db2.gz HLMGDUAPAMQOHV-DJJJIMSYSA-N 0 0 381.501 4.388 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000008275973 221033934 /nfs/dbraw/zinc/03/39/34/221033934.db2.gz JNWVWFBRBLVVJQ-ZDUSSCGKSA-N 0 0 387.307 4.257 10 0 GIAERN O=C(NCc1ccco1)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000008514419 221043655 /nfs/dbraw/zinc/04/36/55/221043655.db2.gz IWXSXDFVCRKMNP-UHFFFAOYSA-N 0 0 389.377 4.293 10 0 GIAERN Cn1c(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)nc2ccccc21 ZINC000011820350 221129227 /nfs/dbraw/zinc/12/92/27/221129227.db2.gz AGBQTLGNYSXSGU-UHFFFAOYSA-N 0 0 378.863 4.440 10 0 GIAERN O=C(CSc1ccccn1)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000011665150 221120222 /nfs/dbraw/zinc/12/02/22/221120222.db2.gz BJACPZVZBUVENA-FQEVSTJZSA-N 0 0 390.508 4.448 10 0 GIAERN COc1ccc(-c2c(OC(C)=O)c3n(c2NC(C)=O)-c2ccccc2CC3)cc1 ZINC000011692156 221121372 /nfs/dbraw/zinc/12/13/72/221121372.db2.gz YHGJEVSQVNFLAA-UHFFFAOYSA-N 0 0 390.439 4.135 10 0 GIAERN Cc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)C4CC4)c(C)o3)c2)s1 ZINC000011979971 221140461 /nfs/dbraw/zinc/14/04/61/221140461.db2.gz SAISDAUXCRSIFE-UHFFFAOYSA-N 0 0 395.484 4.298 10 0 GIAERN O=C(CC1=CCCCC1)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 ZINC000011998309 221142676 /nfs/dbraw/zinc/14/26/76/221142676.db2.gz GJTGLAIJWVASOO-GOSISDBHSA-N 0 0 383.879 4.107 10 0 GIAERN O=C(Cc1ccsc1)N1CC[C@H]2[C@H](CCC(=O)N2CCC2CCCCC2)C1 ZINC000012329797 221182475 /nfs/dbraw/zinc/18/24/75/221182475.db2.gz AGLOWHHNBBBPIN-UXHICEINSA-N 0 0 388.577 4.101 10 0 GIAERN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cccnc2)CC1 ZINC000012240932 221172365 /nfs/dbraw/zinc/17/23/65/221172365.db2.gz PQHWSBSAXBRZRX-UHFFFAOYSA-N 0 0 388.393 4.236 10 0 GIAERN Cc1csc([C@@H](C)N(C)C(=O)c2cc(Cn3ccc4ccccc43)n[nH]2)n1 ZINC000012446461 221196858 /nfs/dbraw/zinc/19/68/58/221196858.db2.gz DWHWOAQXWDYAIM-CQSZACIVSA-N 0 0 379.489 4.011 10 0 GIAERN COC(=O)c1ccc(-c2nc(CN(C)Cc3cccc(OC)c3)c(C)o2)cc1 ZINC000012468374 221197876 /nfs/dbraw/zinc/19/78/76/221197876.db2.gz BMSSSIVMPNCKFI-UHFFFAOYSA-N 0 0 380.444 4.077 10 0 GIAERN CC[C@H](C(=O)NCCCOC)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369437 221267012 /nfs/dbraw/zinc/26/70/12/221267012.db2.gz QMSXZNSZCXFCKH-GOSISDBHSA-N 0 0 385.895 4.461 10 0 GIAERN COc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3nc(N)nc3N2)c1 ZINC000013131671 221261285 /nfs/dbraw/zinc/26/12/85/221261285.db2.gz XOODZJNZPOWTFL-CVEARBPZSA-N 0 0 390.274 4.322 10 0 GIAERN COC(=O)c1c(NC(=O)c2ccoc2)c2cc(NC(C)C)cnc2n1CC(C)C ZINC000014540589 221312264 /nfs/dbraw/zinc/31/22/64/221312264.db2.gz QGZVOXYPZZKHLE-UHFFFAOYSA-N 0 0 398.463 4.145 10 0 GIAERN CC[C@H](NC(=O)CCc1nnc(-c2cc(C)on2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000014950957 221319956 /nfs/dbraw/zinc/31/99/56/221319956.db2.gz IEAABJYVWXHFOX-CONPEVPGSA-N 0 0 398.507 4.077 10 0 GIAERN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1Cl ZINC000015730409 221342689 /nfs/dbraw/zinc/34/26/89/221342689.db2.gz IHGDHZPFRYWHCW-LLVKDONJSA-N 0 0 396.921 4.272 10 0 GIAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@H]1c1ccc(F)cc1 ZINC000015920640 221352852 /nfs/dbraw/zinc/35/28/52/221352852.db2.gz UAQCQPFFIMTOBD-OAQYLSRUSA-N 0 0 379.435 4.106 10 0 GIAERN CCCOC(=O)c1cccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1 ZINC000018244977 221391357 /nfs/dbraw/zinc/39/13/57/221391357.db2.gz HBHBWRAGHYNPIV-YYWHXJBOSA-N 0 0 391.467 4.327 10 0 GIAERN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nc3ccccc3nc2Cl)C1 ZINC000095087515 136177703 /nfs/dbraw/zinc/17/77/03/136177703.db2.gz SEJSJGZILAIAEQ-CYBMUJFWSA-N 0 0 376.888 4.024 10 0 GIAERN O=C(C[C@H]1COc2cc(F)ccc2N1Cc1ccccc1)Nc1nccs1 ZINC000096322993 136186591 /nfs/dbraw/zinc/18/65/91/136186591.db2.gz QLEZJIYUODOWRT-INIZCTEOSA-N 0 0 383.448 4.079 10 0 GIAERN CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccncc4)c3)no2)cc1 ZINC000028221900 221670119 /nfs/dbraw/zinc/67/01/19/221670119.db2.gz DNCQRVYKTJXUIA-UHFFFAOYSA-N 0 0 386.411 4.450 10 0 GIAERN Cc1ccc(N2CCN(C(=O)/C=C\c3ccc(OCCCF)cc3)CC2)c(C)c1 ZINC000033923067 221797419 /nfs/dbraw/zinc/79/74/19/221797419.db2.gz LCIHZZOPBAYFNV-XFFZJAGNSA-N 0 0 396.506 4.404 10 0 GIAERN CC[C@H](C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1ccc2ccccc2c1 ZINC000035746213 221832600 /nfs/dbraw/zinc/83/26/00/221832600.db2.gz FAJLCUPJLDAFES-AWEZNQCLSA-N 0 0 381.501 4.484 10 0 GIAERN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)NCCC(C)C)C2)cc1 ZINC000036055037 221841418 /nfs/dbraw/zinc/84/14/18/221841418.db2.gz CAIUJTZXAOTHNG-XZOQPEGZSA-N 0 0 392.543 4.322 10 0 GIAERN Cc1cccc([C@@H]2CC[C@@H](C(=O)NCc3ccco3)CN2C(=O)C2CCCC2)c1 ZINC000037545586 221873516 /nfs/dbraw/zinc/87/35/16/221873516.db2.gz SHYWIMSYUPRNKG-IRLDBZIGSA-N 0 0 394.515 4.374 10 0 GIAERN Brc1cccc2nc(-c3ccc(I)cc3)cn21 ZINC000039325772 221888541 /nfs/dbraw/zinc/88/85/41/221888541.db2.gz ALOVYZGNPLVSLG-UHFFFAOYSA-N 0 0 399.029 4.368 10 0 GIAERN O[C@H](Cc1sccc1Br)Cc1ccc(Br)cc1 ZINC000053782860 222012422 /nfs/dbraw/zinc/01/24/22/222012422.db2.gz CXNMXKKPVUDTQH-NSHDSACASA-N 0 0 376.113 4.419 10 0 GIAERN CC(C)Cn1c(CCNC(=O)c2ccccc2C(F)(F)F)nc2cccnc21 ZINC000065154221 222104611 /nfs/dbraw/zinc/10/46/11/222104611.db2.gz RCTZXMVNJUCYQA-UHFFFAOYSA-N 0 0 390.409 4.079 10 0 GIAERN CC(C)n1cc(C2=CCN(S(=O)(=O)c3ccccc3)CC2)c2cccnc21 ZINC000065211868 222111326 /nfs/dbraw/zinc/11/13/26/222111326.db2.gz NCUIJNUXWSILMG-UHFFFAOYSA-N 0 0 381.501 4.095 10 0 GIAERN Cc1cc(C)cc(C(=O)N2CCN=C2N2CCC(Cc3ccccc3)CC2)c1 ZINC000065306497 222122284 /nfs/dbraw/zinc/12/22/84/222122284.db2.gz SINFGTOXEFHBCQ-UHFFFAOYSA-N 0 0 375.516 4.070 10 0 GIAERN CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1 ZINC000065344473 222125085 /nfs/dbraw/zinc/12/50/85/222125085.db2.gz GNFBHJJIGGFWAU-UHFFFAOYSA-N 0 0 389.395 4.035 10 0 GIAERN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)CS2)cc1 ZINC000072412828 222257998 /nfs/dbraw/zinc/25/79/98/222257998.db2.gz BGGNHDDNOKPDMN-QGZVFWFLSA-N 0 0 385.876 4.129 10 0 GIAERN OCc1cc2ccccc2nc1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072430277 222259182 /nfs/dbraw/zinc/25/91/82/222259182.db2.gz MYJYMZZIKSZWFI-UHFFFAOYSA-N 0 0 381.439 4.278 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(CCOCc2cnc(Cl)nc2Cl)CC1 ZINC000095083786 222329023 /nfs/dbraw/zinc/32/90/23/222329023.db2.gz YNXJDCGXGUVGTR-UHFFFAOYSA-N 0 0 390.311 4.337 10 0 GIAERN CC(C)(C)OC(=O)N1CC[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000095083856 222329403 /nfs/dbraw/zinc/32/94/03/222329403.db2.gz VQODCMKQRAFTKG-SNVBAGLBSA-N 0 0 379.810 4.423 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(CCOCc2ccc(Br)nc2)CC1 ZINC000095083787 222329574 /nfs/dbraw/zinc/32/95/74/222329574.db2.gz XSKRVBPYMGBZMF-UHFFFAOYSA-N 0 0 399.329 4.398 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](COCc2ccc(Br)nc2)C1 ZINC000095085466 222329998 /nfs/dbraw/zinc/32/99/98/222329998.db2.gz QYMAXPGBLUTMHT-AWEZNQCLSA-N 0 0 385.302 4.008 10 0 GIAERN CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000095087649 222330471 /nfs/dbraw/zinc/33/04/71/222330471.db2.gz FREAFWYFUHQLBM-LLVKDONJSA-N 0 0 379.810 4.247 10 0 GIAERN CCOc1nc2ccccc2nc1OC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091827 222330983 /nfs/dbraw/zinc/33/09/83/222330983.db2.gz JKLJCUQBGKFECW-OAHLLOKOSA-N 0 0 387.480 4.197 10 0 GIAERN NC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2F)o1 ZINC000073638295 222270919 /nfs/dbraw/zinc/27/09/19/222270919.db2.gz BDDKWCQWGFJOGL-DUXPYHPUSA-N 0 0 389.018 4.109 10 0 GIAERN CC(=O)OCC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000084403411 222316873 /nfs/dbraw/zinc/31/68/73/222316873.db2.gz LIZWBGZACPSUNY-PMHSVAMXSA-N 0 0 388.548 4.305 10 0 GIAERN O=C1CCCN1c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000096028712 222372324 /nfs/dbraw/zinc/37/23/24/222372324.db2.gz IEBOZXGDBQYOSV-UHFFFAOYSA-N 0 0 383.249 4.263 10 0 GIAERN CCCNC(=O)Cn1nc(-c2ccc(F)cc2)c2cnc3ccc(C)cc3c21 ZINC000085346597 519882312 /nfs/dbraw/zinc/88/23/12/519882312.db2.gz DUKNNVHKCKEUIJ-UHFFFAOYSA-N 0 0 376.435 4.225 10 0 GIAERN COCCCNc1c2cc(C)ccc2ncc1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000085346434 523378045 /nfs/dbraw/zinc/37/80/45/523378045.db2.gz JLTXQIWFVKJCNC-UHFFFAOYSA-N 0 0 398.528 4.441 10 0 GIAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1 ZINC000095087514 534889930 /nfs/dbraw/zinc/88/99/30/534889930.db2.gz SEJSJGZILAIAEQ-ZDUSSCGKSA-N 0 0 376.888 4.024 10 0 GIAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC[C@H]2C(=O)[O-])c1C ZINC000073679685 526565007 /nfs/dbraw/zinc/56/50/07/526565007.db2.gz NJTYWQQSMPIMNA-HNNXBMFYSA-N 0 0 379.382 4.223 10 0 GIAERN COc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1N1CCCC1=O ZINC000040017445 536969474 /nfs/dbraw/zinc/96/94/74/536969474.db2.gz FRZQVCCUAOFRSK-UHFFFAOYSA-N 0 0 384.863 4.068 10 0 GIAERN OCCOc1ccccc1-c1nc2ccc(-c3ccc4c(c3)OCO4)cc2o1 ZINC000023441341 570324090 /nfs/dbraw/zinc/32/40/90/570324090.db2.gz CTNRJSROSFMOJP-UHFFFAOYSA-N 0 0 375.380 4.262 10 0 GIAERN O=C(CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1)Nc1ccon1 ZINC000035746642 570440059 /nfs/dbraw/zinc/44/00/59/570440059.db2.gz XSSUCMWLVMZAIT-UHFFFAOYSA-N 0 0 395.381 4.107 10 0 GIAERN CCNC(=O)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000006723550 570552427 /nfs/dbraw/zinc/55/24/27/570552427.db2.gz MISAABQLMLQMDP-UHFFFAOYSA-N 0 0 381.307 4.180 10 0 GIAERN COc1ccc2cc3cc(C(=O)N(C)c4ccc(OC)cc4OC)oc3nc2c1 ZINC000006744899 570564180 /nfs/dbraw/zinc/56/41/80/570564180.db2.gz CCWUUKLWPYOLBX-UHFFFAOYSA-N 0 0 392.411 4.283 10 0 GIAERN CC(C)CCNC(=O)[C@]1(C)CCc2ccccc2C(=O)N1Cc1ccc(F)cc1 ZINC000032977858 570570784 /nfs/dbraw/zinc/57/07/84/570570784.db2.gz OKHLPEGMLJMOHE-DEOSSOPVSA-N 0 0 396.506 4.335 10 0 GIAERN Cc1ccccc1N(C)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000006808397 570610063 /nfs/dbraw/zinc/61/00/63/570610063.db2.gz PXZGXRVTQBNBFH-UHFFFAOYSA-N 0 0 383.494 4.287 10 0 GIAERN CCc1cccc2c([C@@H](CC(=O)NCCOC)c3ccccc3OC)c[nH]c21 ZINC000006837239 570637922 /nfs/dbraw/zinc/63/79/22/570637922.db2.gz XPXYWIURHKBPLT-IBGZPJMESA-N 0 0 380.488 4.024 10 0 GIAERN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(O)c(Br)c1 ZINC000041078054 570642531 /nfs/dbraw/zinc/64/25/31/570642531.db2.gz VEYZSJMTTKZDGI-MDWZMJQESA-N 0 0 378.609 4.153 10 0 GIAERN CSc1cccc(NC(=O)N2C[C@H](C)[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000097137816 570898386 /nfs/dbraw/zinc/89/83/86/570898386.db2.gz KGSWHVVWSGSRSL-GUYCJALGSA-N 0 0 395.488 4.121 10 0 GIAERN Cc1cc(NC(=O)c2ccccc2Br)cc(Br)c1O ZINC000226242832 570935187 /nfs/dbraw/zinc/93/51/87/570935187.db2.gz FJMYZOCDVWLFJK-UHFFFAOYSA-N 0 0 385.055 4.478 10 0 GIAERN Cc1cc(N)cc(Br)c1NC(=O)Cc1ccc(Br)cc1 ZINC000226755920 222707558 /nfs/dbraw/zinc/70/75/58/222707558.db2.gz DJFPCHXKKJSPRV-UHFFFAOYSA-N 0 0 398.098 4.283 10 0 GIAERN Cc1cc(C)c(OCC(=O)Nc2c(N)cccc2Cl)c(Br)c1 ZINC000226359475 222706387 /nfs/dbraw/zinc/70/63/87/222706387.db2.gz AAQRYANYEKQVRT-UHFFFAOYSA-N 0 0 383.673 4.319 10 0 GIAERN COc1cccc(NC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)c1 ZINC000001983726 212261748 /nfs/dbraw/zinc/26/17/48/212261748.db2.gz PICZBRMYZPMXJZ-BQYQJAHWSA-N 0 0 392.249 4.127 10 0 GIAERN COc1cc(/C=C/C(=O)Nc2ccccc2F)cc(Br)c1OC ZINC000001983900 212261693 /nfs/dbraw/zinc/26/16/93/212261693.db2.gz QACONUIOFVNMBR-BQYQJAHWSA-N 0 0 380.213 4.257 10 0 GIAERN CC[C@H]1Cn2c(c3nc(-c4cc(Cl)cc(Cl)c4Cl)nc-3n(C)c2=O)N1 ZINC000001491927 212247180 /nfs/dbraw/zinc/24/71/80/212247180.db2.gz YYDHUJWLNPIBDS-QMMMGPOBSA-N 0 0 398.681 4.448 10 0 GIAERN O=C(CN(C(=O)C1CCCCC1)C1CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000000740973 212179849 /nfs/dbraw/zinc/17/98/49/212179849.db2.gz WLSZYVNULAYSID-UHFFFAOYSA-N 0 0 394.515 4.380 10 0 GIAERN Cc1nnc(SCc2ccccc2)nc1/C=C\NOCc1ccc(F)cc1 ZINC000100104833 212157693 /nfs/dbraw/zinc/15/76/93/212157693.db2.gz MJQYVTGOTVWGDU-QXMHVHEDSA-N 0 0 382.464 4.304 10 0 GIAERN CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc[n+]([O-])cc1 ZINC000034783294 212160722 /nfs/dbraw/zinc/16/07/22/212160722.db2.gz DZZFQGYUOPSJPB-OAQYLSRUSA-N 0 0 383.451 4.416 10 0 GIAERN O=C1O[C@@H](c2ccc(Cl)cc2)C[C@@H]1N1CCN(c2cccc(Cl)c2)CC1 ZINC000033892450 212160615 /nfs/dbraw/zinc/16/06/15/212160615.db2.gz SALCPWWMPIUGMH-RBUKOAKNSA-N 0 0 391.298 4.172 10 0 GIAERN CN(C)c1cccc(C(=O)N2CCO[C@@H](c3cc(Cl)cc(Cl)c3)C2)c1 ZINC000090613795 212152344 /nfs/dbraw/zinc/15/23/44/212152344.db2.gz BSPYQTVRFHTWBT-GOSISDBHSA-N 0 0 379.287 4.273 10 0 GIAERN CCN(CN1C(=O)c2ccccc2C1=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000031520045 212157292 /nfs/dbraw/zinc/15/72/92/212157292.db2.gz CZFYJCOPDCFZFB-CQSZACIVSA-N 0 0 390.405 4.212 10 0 GIAERN O=C1O[C@H](c2ccc(Cl)cc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2)O1 ZINC000026009029 212157322 /nfs/dbraw/zinc/15/73/22/212157322.db2.gz FCVFJIYHGGLUPU-SJLPKXTDSA-N 0 0 390.226 4.389 10 0 GIAERN CSc1[nH]c2cc(Br)cc(Br)c2c1[S@](C)=O ZINC000013449763 212149344 /nfs/dbraw/zinc/14/93/44/212149344.db2.gz JIIUXPPTKXBSSZ-MRXNPFEDSA-N 0 0 383.130 4.152 10 0 GIAERN O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000009997012 212147520 /nfs/dbraw/zinc/14/75/20/212147520.db2.gz XOIAGCKWXOJQMQ-UHFFFAOYSA-N 0 0 387.321 4.342 10 0 GIAERN O=C1NC(=O)C(CSCC2CCCCC2)(CSCC2CCCCC2)N1 ZINC000005840406 212147555 /nfs/dbraw/zinc/14/75/55/212147555.db2.gz FUIUFQXRLLQBGS-UHFFFAOYSA-N 0 0 384.611 4.192 10 0 GIAERN O=C(CN1C(=O)SC(=Cc2ccc(F)cc2)C1=O)c1ccc(Cl)cc1 ZINC000001166114 212144530 /nfs/dbraw/zinc/14/45/30/212144530.db2.gz OMXXNEOMLFXXMO-CXUHLZMHSA-N 0 0 375.808 4.398 10 0 GIAERN COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)Oc1ccc(Cl)cc1Cl ZINC000001038805 212142486 /nfs/dbraw/zinc/14/24/86/212142486.db2.gz MQLSNTVRNGTCEU-PXAZEXFGSA-N 0 0 381.211 4.212 10 0 GIAERN CCNC(=O)N1[C@H](c2ccc(OC)cc2)CC(=O)[C@@H](C)[C@H]1c1ccc(OC)cc1 ZINC000255998109 212138936 /nfs/dbraw/zinc/13/89/36/212138936.db2.gz QWBPPHYOMDHWMW-PDXHDDNESA-N 0 0 396.487 4.127 10 0 GIAERN COc1cc2c(cc1-c1coc3c(ccc4c3C=CC(C)(C)O4)c1=O)OCO2 ZINC000002390749 220530229 /nfs/dbraw/zinc/53/02/29/220530229.db2.gz WITLAWYGGVAFLU-UHFFFAOYSA-N 0 0 378.380 4.382 10 0 in-vitro GIAERN Cc1ccc(Cl)c2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc21 ZINC000004348249 220709854 /nfs/dbraw/zinc/70/98/54/220709854.db2.gz GGRXSBYLMVWEQG-UHFFFAOYSA-N 0 0 394.905 4.061 10 0 GIAERN COC(=O)COc1nc(SC)nc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000005481469 220873905 /nfs/dbraw/zinc/87/39/05/220873905.db2.gz RAPVTNFPIJMRKE-SNVBAGLBSA-N 0 0 380.535 4.116 10 0 GIAERN O=C(C1CC1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006695357 220952288 /nfs/dbraw/zinc/95/22/88/220952288.db2.gz KVERXMUEVIJPDL-IBGZPJMESA-N 0 0 386.854 4.411 10 0 GIAERN Cc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1 ZINC000006737784 220956320 /nfs/dbraw/zinc/95/63/20/220956320.db2.gz DEUPUTWTBHGOKY-UHFFFAOYSA-N 0 0 376.485 4.421 10 0 GIAERN COc1cc(/C=C/CN2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)ccc1O ZINC000011842504 221132647 /nfs/dbraw/zinc/13/26/47/221132647.db2.gz SHJICXKSKFJCDK-NJELEJDNSA-N 0 0 399.462 4.157 10 0 GIAERN CC(=O)c1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C2CCCCC2)[nH]n1 ZINC000011935414 221138615 /nfs/dbraw/zinc/13/86/15/221138615.db2.gz JIKMQKKODWQZLK-QFIPXVFZSA-N 0 0 390.487 4.414 10 0 GIAERN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c1OC ZINC000011936100 221139544 /nfs/dbraw/zinc/13/95/44/221139544.db2.gz DSIWWHOZUAAXLJ-QFIPXVFZSA-N 0 0 388.471 4.056 10 0 GIAERN O=C(Cc1ccc(F)cc1Cl)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 ZINC000012039308 221145568 /nfs/dbraw/zinc/14/55/68/221145568.db2.gz RTUNSVCNFJFUSH-SFHVURJKSA-N 0 0 396.849 4.204 10 0 GIAERN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccccc2)C3)s1 ZINC000012182009 221162786 /nfs/dbraw/zinc/16/27/86/221162786.db2.gz KZDUIQWVZMZPPH-KRWDZBQOSA-N 0 0 395.455 4.490 10 0 GIAERN O=C(NC1CCN(c2ccccc2F)CC1)c1ccc2nc(C3CC3)oc2c1 ZINC000012430238 221192163 /nfs/dbraw/zinc/19/21/63/221192163.db2.gz LFMVFABMGUZMLG-UHFFFAOYSA-N 0 0 379.435 4.243 10 0 GIAERN CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2csc(C(C)=O)c2)C1 ZINC000012581594 221209870 /nfs/dbraw/zinc/20/98/70/221209870.db2.gz GCJJPSPJWBULCK-CQSZACIVSA-N 0 0 387.526 4.408 10 0 GIAERN COC1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1 ZINC000012596873 221212687 /nfs/dbraw/zinc/21/26/87/221212687.db2.gz MHUZQKAOGHUIPN-UHFFFAOYSA-N 0 0 378.472 4.254 10 0 GIAERN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)c1 ZINC000012709489 221219514 /nfs/dbraw/zinc/21/95/14/221219514.db2.gz SFWHQUOMSOJHTI-QGZVFWFLSA-N 0 0 396.487 4.076 10 0 GIAERN COc1cccc(CNC(=O)c2cccc(Nc3cnc4ccccc4n3)c2)c1 ZINC000013363244 221266692 /nfs/dbraw/zinc/26/66/92/221266692.db2.gz MVMXMNCTMOIOMW-UHFFFAOYSA-N 0 0 384.439 4.312 10 0 GIAERN COc1ccc(C(=O)Nc2cc(NC(=O)c3cccs3)ccc2OC)cc1 ZINC000015863190 221350052 /nfs/dbraw/zinc/35/00/52/221350052.db2.gz LBRLCHKISKFZSA-UHFFFAOYSA-N 0 0 382.441 4.270 10 0 GIAERN CCN1CCc2nc3ccccc3c(C(=O)NCc3ccc(Cl)cc3)c2C1 ZINC000016024460 221354585 /nfs/dbraw/zinc/35/45/85/221354585.db2.gz DANLPLHNSIZCDQ-UHFFFAOYSA-N 0 0 379.891 4.196 10 0 GIAERN COc1ccc(Br)cc1/C=C/C(=O)NCc1ccccc1Cl ZINC000016849166 221372800 /nfs/dbraw/zinc/37/28/00/221372800.db2.gz AKQVQFQWUSLGJY-RMKNXTFCSA-N 0 0 380.669 4.441 10 0 GIAERN Nc1nc(CNc2ccc(-c3nc(-c4cccc(Cl)c4)no3)cn2)cs1 ZINC000020109536 221472491 /nfs/dbraw/zinc/47/24/91/221472491.db2.gz ZOXHGQCBAKTPDL-UHFFFAOYSA-N 0 0 384.852 4.103 10 0 GIAERN Cc1ccc(CNC(=O)c2nc3c4ccccc4oc3c(N3CCCCC3)n2)o1 ZINC000065025024 136158808 /nfs/dbraw/zinc/15/88/08/136158808.db2.gz HCJQLBQEORWLAJ-UHFFFAOYSA-N 0 0 390.443 4.198 10 0 GIAERN COc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2cc(OC)cc(OC)c2)cc1 ZINC000023322017 221592256 /nfs/dbraw/zinc/59/22/56/221592256.db2.gz MNPKMXZRZNZNCF-ZDUSSCGKSA-N 0 0 396.443 4.167 10 0 GIAERN O=C(NCc1ccccc1C(F)(F)F)c1ccn(COc2ccc(F)cc2)n1 ZINC000027972357 221663413 /nfs/dbraw/zinc/66/34/13/221663413.db2.gz WBLMPTXMTFJHSS-UHFFFAOYSA-N 0 0 393.340 4.008 10 0 GIAERN Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000028244303 221671117 /nfs/dbraw/zinc/67/11/17/221671117.db2.gz IBBBJLWBAMTBQU-JTQLQIEISA-N 0 0 397.788 4.454 10 0 GIAERN CN(C)c1cccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 ZINC000032610060 221724011 /nfs/dbraw/zinc/72/40/11/221724011.db2.gz HSNJTUOPPVGYER-UHFFFAOYSA-N 0 0 388.393 4.269 10 0 GIAERN COc1ccccc1Oc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)nn1 ZINC000033130855 221774216 /nfs/dbraw/zinc/77/42/16/221774216.db2.gz IFHASZLDCJNYRW-UHFFFAOYSA-N 0 0 375.428 4.181 10 0 GIAERN COCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)C1CC1 ZINC000036105885 221842272 /nfs/dbraw/zinc/84/22/72/221842272.db2.gz ABTXRMCIEQVTSS-UHFFFAOYSA-N 0 0 388.533 4.032 10 0 GIAERN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(N(C)C)cc1 ZINC000040865828 221932646 /nfs/dbraw/zinc/93/26/46/221932646.db2.gz TXPBXZBPYAPERC-UHFFFAOYSA-N 0 0 377.282 4.149 10 0 GIAERN O=C(CSCc1cc(=O)c2cccc(Cl)c2[nH]1)Nc1ccccc1F ZINC000041108679 221940122 /nfs/dbraw/zinc/94/01/22/221940122.db2.gz QBWZNSKQPPNKBV-UHFFFAOYSA-N 0 0 376.840 4.193 10 0 GIAERN O[C@H](Cc1ccc(Br)s1)Cc1cccc(Br)c1 ZINC000053784769 222012184 /nfs/dbraw/zinc/01/21/84/222012184.db2.gz SITYOIYCKVBWMF-NSHDSACASA-N 0 0 376.113 4.419 10 0 GIAERN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)nc1 ZINC000065085408 222099739 /nfs/dbraw/zinc/09/97/39/222099739.db2.gz NWUGMTISWJSMIB-UHFFFAOYSA-N 0 0 392.889 4.190 10 0 GIAERN COc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccc4)n3)C2)cc1 ZINC000065147917 222103946 /nfs/dbraw/zinc/10/39/46/222103946.db2.gz WUKAPRAVRUMTLH-SFHVURJKSA-N 0 0 388.471 4.249 10 0 GIAERN COc1ccccc1-c1cc2c(c(OC)c1)OCCN(Cc1ccc(O)cc1)C2 ZINC000064015330 222069010 /nfs/dbraw/zinc/06/90/10/222069010.db2.gz DEZDQIIOXVLNHD-UHFFFAOYSA-N 0 0 391.467 4.471 10 0 GIAERN COc1ccc(OC)c(NC(=O)N2CCCn3nc(-c4cccs4)cc3C2)c1 ZINC000065225589 222113314 /nfs/dbraw/zinc/11/33/14/222113314.db2.gz ZROLYYCGJGGERM-UHFFFAOYSA-N 0 0 398.488 4.067 10 0 GIAERN O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccccc2)CC12CCCCC2 ZINC000065266076 222118890 /nfs/dbraw/zinc/11/88/90/222118890.db2.gz AZKSQECATZZGJO-IBGZPJMESA-N 0 0 382.529 4.087 10 0 GIAERN Cc1ccc(-c2nc(N[C@H](C)c3ccncn3)ncc2-c2ccc(N)nc2)cc1 ZINC000065532038 222134174 /nfs/dbraw/zinc/13/41/74/222134174.db2.gz YPYJSRYSOFMDMP-OAHLLOKOSA-N 0 0 383.459 4.059 10 0 GIAERN COc1ccc2cc([C@H]3CN(Cc4cnn(C)c4C4CC4)CCO3)ccc2c1 ZINC000071767638 222196435 /nfs/dbraw/zinc/19/64/35/222196435.db2.gz USAZWOIQHGRYQP-JOCHJYFZSA-N 0 0 377.488 4.033 10 0 GIAERN COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CC4)C=C3C)nc2c1 ZINC000072320950 222226583 /nfs/dbraw/zinc/22/65/83/222226583.db2.gz JPAKVSOORGWRMR-BJLQDIEVSA-N 0 0 395.547 4.495 10 0 GIAERN CSc1nc(Cl)cc(SC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000085334032 222323475 /nfs/dbraw/zinc/32/34/75/222323475.db2.gz JUOOUKUQPHTTCI-JTQLQIEISA-N 0 0 375.947 4.344 10 0 GIAERN COc1ccc(CN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)C(C)C)cc1 ZINC000095076290 222328869 /nfs/dbraw/zinc/32/88/69/222328869.db2.gz MHPURJBVGCUTRU-LJQANCHMSA-N 0 0 390.524 4.222 10 0 GIAERN CC(C)(C)OC(=O)N1CC[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000095083857 222329310 /nfs/dbraw/zinc/32/93/10/222329310.db2.gz VQODCMKQRAFTKG-JTQLQIEISA-N 0 0 379.810 4.423 10 0 GIAERN CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074816 222329406 /nfs/dbraw/zinc/32/94/06/222329406.db2.gz JYDKQSNKRWGMSU-ZDUSSCGKSA-N 0 0 384.879 4.085 10 0 GIAERN O[C@H]1CCCN(c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)C1 ZINC000095078247 222329580 /nfs/dbraw/zinc/32/95/80/222329580.db2.gz XEMISQMHHCPJFN-HNNXBMFYSA-N 0 0 376.287 4.353 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000095084697 222330159 /nfs/dbraw/zinc/33/01/59/222330159.db2.gz FTOKOHZLXAPVKR-LBPRGKRZSA-N 0 0 387.307 4.257 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1Cn1c2ncccc2nc1C(F)(F)F ZINC000095086421 222330899 /nfs/dbraw/zinc/33/08/99/222330899.db2.gz MMYGRPUIZYOSQL-LBPRGKRZSA-N 0 0 384.402 4.240 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](COCc2ccc(Br)nc2)C1 ZINC000095085467 222330913 /nfs/dbraw/zinc/33/09/13/222330913.db2.gz QYMAXPGBLUTMHT-CQSZACIVSA-N 0 0 385.302 4.008 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1ccc(Br)cn1 ZINC000095086325 222331003 /nfs/dbraw/zinc/33/10/03/222331003.db2.gz GEYWWMZMAPAZFA-AWEZNQCLSA-N 0 0 385.302 4.403 10 0 GIAERN NC(=O)c1ccc2oc(-c3ccc(Br)cc3Br)nc2c1 ZINC000073638274 222271142 /nfs/dbraw/zinc/27/11/42/222271142.db2.gz JJBKTVWSJNMVAD-UHFFFAOYSA-N 0 0 396.038 4.119 10 0 GIAERN CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2CCCc2ccccc2)C1 ZINC000077994255 222297198 /nfs/dbraw/zinc/29/71/98/222297198.db2.gz NBOOKYNOVKTYGV-UHFFFAOYSA-N 0 0 377.463 4.227 10 0 GIAERN CC(C)(C)OC(=O)N1CCC([C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000080692474 222306514 /nfs/dbraw/zinc/30/65/14/222306514.db2.gz JQSDKAVJJGIXDY-HNNXBMFYSA-N 0 0 375.387 4.266 10 0 GIAERN O=S(=O)(CCc1cccc(Cl)c1F)CCc1cccc(Cl)c1F ZINC000095935319 222361326 /nfs/dbraw/zinc/36/13/26/222361326.db2.gz FEBJPOPLKOXOCY-UHFFFAOYSA-N 0 0 379.255 4.472 10 0 GIAERN O=C(C1CCCC1)N(CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000096277786 222407433 /nfs/dbraw/zinc/40/74/33/222407433.db2.gz MPYIGZHHAZSVGF-UHFFFAOYSA-N 0 0 375.472 4.498 10 0 GIAERN FC(F)(F)COc1ccc(OCC(F)(F)F)c(C2=NC[C@H]3CCCCN23)c1 ZINC000504198449 534391754 /nfs/dbraw/zinc/39/17/54/534391754.db2.gz QIBNIXTXJKSSAL-LLVKDONJSA-N 0 0 396.331 4.184 10 0 GIAERN CCCN(CCC)c1cc(C)nc2c(-c3cc(C)cc(N(C)C)n3)c(C)nn21 ZINC000504672312 528061775 /nfs/dbraw/zinc/06/17/75/528061775.db2.gz QALSWFNNKQFDNI-UHFFFAOYSA-N 0 0 380.540 4.409 10 0 GIAERN COc1ccc(C(=O)Nc2cc(N3C[C@H](C)C[C@H](C)C3)c(C)cc2N)cc1OC ZINC000226331386 536776766 /nfs/dbraw/zinc/77/67/66/536776766.db2.gz CQOMSENLQRVHLA-GASCZTMLSA-N 0 0 397.519 4.329 10 0 GIAERN FC[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccc(I)cc1 ZINC000142753379 570280772 /nfs/dbraw/zinc/28/07/72/570280772.db2.gz WEGNHTCFXLYIJK-HUUCEWRRSA-N 0 0 381.188 4.147 10 0 GIAERN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3ccccc3F)CCO2)cc1 ZINC000034691259 570296038 /nfs/dbraw/zinc/29/60/38/570296038.db2.gz MFVIIJKNOHRAHL-QFIPXVFZSA-N 0 0 398.522 4.133 10 0 GIAERN O=C(Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1C1CC1)c1cc(F)cc(F)c1 ZINC000034794583 570337050 /nfs/dbraw/zinc/33/70/50/570337050.db2.gz DKWRVHMMUWLJSG-UHFFFAOYSA-N 0 0 383.354 4.213 10 0 GIAERN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCn2c3ccccc3nc2C1 ZINC000004885304 570354904 /nfs/dbraw/zinc/35/49/04/570354904.db2.gz UIIWMVJQSXLYNO-UHFFFAOYSA-N 0 0 395.528 4.289 10 0 GIAERN Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCCCc1ccccc1 ZINC000022670634 570500833 /nfs/dbraw/zinc/50/08/33/570500833.db2.gz UJYBWTJGDFYOOU-UHFFFAOYSA-N 0 0 378.428 4.131 10 0 GIAERN Cc1ccc(S(=O)(=O)n2nc3c4c2cccc4C(=O)c2ccccc2-3)c(C)c1 ZINC000005553211 570632983 /nfs/dbraw/zinc/63/29/83/570632983.db2.gz FIODXMRNPDESHC-UHFFFAOYSA-N 0 0 388.448 4.102 10 0 GIAERN O=C(NCCc1ccc(OCc2ccccc2)c(O)c1)OCc1ccccc1 ZINC000034514255 570647757 /nfs/dbraw/zinc/64/77/57/570647757.db2.gz GSEDVGWVNCVJCK-UHFFFAOYSA-N 0 0 377.440 4.440 10 0 in-vitro GIAERN CCOc1ccc(-c2cc(NC(=O)NCc3noc4ccccc34)on2)cc1 ZINC000006860020 570652056 /nfs/dbraw/zinc/65/20/56/570652056.db2.gz IAFLEUPVFUWWPZ-UHFFFAOYSA-N 0 0 378.388 4.203 10 0 GIAERN O=C(CN1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1)Nc1ccccc1 ZINC000583621900 570802320 /nfs/dbraw/zinc/80/23/20/570802320.db2.gz NZASNOAEANYYRZ-GOSISDBHSA-N 0 0 380.423 4.041 10 0 GIAERN O=C(CN1CCCC[C@H]1c1nnc(-c2ccccc2F)o1)Nc1ccccc1 ZINC000583621901 570802424 /nfs/dbraw/zinc/80/24/24/570802424.db2.gz NZASNOAEANYYRZ-SFHVURJKSA-N 0 0 380.423 4.041 10 0 GIAERN COc1cccc(CN(C)CC(=O)N2CCS[C@@H]2c2ccccc2Cl)c1 ZINC000004709334 570855191 /nfs/dbraw/zinc/85/51/91/570855191.db2.gz SUPFLBXZBNCAKK-HXUWFJFHSA-N 0 0 390.936 4.055 10 0 GIAERN Cc1ccccc1N(C)C(=O)[C@@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000096309905 570895731 /nfs/dbraw/zinc/89/57/31/570895731.db2.gz ROGVVLBWAZRAKH-FQEVSTJZSA-N 0 0 391.515 4.076 10 0 GIAERN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2N=C2CCC[C@@H]2C1=O ZINC000101321416 570901012 /nfs/dbraw/zinc/90/10/12/570901012.db2.gz VRTAXUCSMFVQFN-AWEZNQCLSA-N 0 0 397.862 4.207 10 0 GIAERN CC(C)NC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)C[C@H](c2ccccc2)C1 ZINC000034710313 570987147 /nfs/dbraw/zinc/98/71/47/570987147.db2.gz JNMFHFOXPMPRSM-YUXAGFNASA-N 0 0 393.531 4.088 10 0 GIAERN Cc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F ZINC000003814672 581092427 /nfs/dbraw/zinc/09/24/27/581092427.db2.gz OQARYRSGLRPZDG-UHFFFAOYSA-N 0 0 377.387 4.394 10 0 GIAERN Cc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc2sc(=NN)[nH]c21 ZINC000226313447 222706041 /nfs/dbraw/zinc/70/60/41/222706041.db2.gz VODIUUCCRCXWBV-UHFFFAOYSA-N 0 0 390.896 4.178 10 0 GIAERN Cc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N ZINC000226299334 222706109 /nfs/dbraw/zinc/70/61/09/222706109.db2.gz WGZMXOZQAAYMIT-UHFFFAOYSA-N 0 0 379.316 4.490 10 0 GIAERN CCOC(=O)C(=Cc1cc2cc(Cl)cc(C)c2nc1Cl)C(=O)OCC ZINC000032099795 212160871 /nfs/dbraw/zinc/16/08/71/212160871.db2.gz IQMHPLKMMJMBIU-UHFFFAOYSA-N 0 0 382.243 4.360 10 0 GIAERN C[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N(C)C1=O ZINC000033895899 212160801 /nfs/dbraw/zinc/16/08/01/212160801.db2.gz IFBWQIMNVMDGCK-JTQLQIEISA-N 0 0 377.669 4.305 10 0 GIAERN CN(C)c1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1 ZINC000028471083 212158659 /nfs/dbraw/zinc/15/86/59/212158659.db2.gz ZMIXZCOYFOZFGM-UHFFFAOYSA-N 0 0 384.487 4.073 10 0 GIAERN CC(=O)Nc1cccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)c1 ZINC000028768037 212158698 /nfs/dbraw/zinc/15/86/98/212158698.db2.gz CGTISFSIFVAIOQ-UHFFFAOYSA-N 0 0 392.850 4.230 10 0 GIAERN CCO[C@H](Cc1ccccc1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000022859901 212153741 /nfs/dbraw/zinc/15/37/41/212153741.db2.gz ZLLFWUHGOOTJPS-XMMPIXPASA-N 0 0 398.522 4.012 10 0 GIAERN COc1ccccc1-c1cc(I)c(O)c2ncccc12 ZINC000090555181 212151649 /nfs/dbraw/zinc/15/16/49/212151649.db2.gz ALTWGZIIKCUULZ-UHFFFAOYSA-N 0 0 377.181 4.221 10 0 GIAERN [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000040173929 212119109 /nfs/dbraw/zinc/11/91/09/212119109.db2.gz NUUKVGZXBHMDNO-CQSZACIVSA-N 0 0 381.785 4.349 10 0 GIAERN C[C@@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1Br ZINC000226275679 212115240 /nfs/dbraw/zinc/11/52/40/212115240.db2.gz PNYFMAGUFOWJQY-SNVBAGLBSA-N 0 0 379.220 4.353 10 0 GIAERN CSCC[C@@H](NC(=O)c1cccc2c1ccn2C)c1nc2ccccc2[nH]1 ZINC000334162705 212107773 /nfs/dbraw/zinc/10/77/73/212107773.db2.gz YGZDRCQKBJVRRP-GOSISDBHSA-N 0 0 378.501 4.279 10 0 GIAERN Cc1c(Cl)cccc1NC(=O)c1cc(-n2cnnc2)ccc1Br ZINC000035684149 212110547 /nfs/dbraw/zinc/11/05/47/212110547.db2.gz IWCJMJLCSZAVRG-UHFFFAOYSA-N 0 0 391.656 4.244 10 0 GIAERN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)[C@@H]1COc2ccccc2O1 ZINC000004331447 220706880 /nfs/dbraw/zinc/70/68/80/220706880.db2.gz MXGZAVMWKJDIBJ-NSHDSACASA-N 0 0 381.240 4.382 10 0 GIAERN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1cccnc1 ZINC000004884719 220782548 /nfs/dbraw/zinc/78/25/48/220782548.db2.gz BLAZXOGRVBNKOM-UHFFFAOYSA-N 0 0 389.434 4.119 10 0 GIAERN COc1cc(OC)c([C@@H](Cc2ccccc2)n2nnc3ccccc32)c(OC)c1 ZINC000005356896 220861320 /nfs/dbraw/zinc/86/13/20/220861320.db2.gz MDMARSOSPWOEBV-HXUWFJFHSA-N 0 0 389.455 4.289 10 0 GIAERN Cc1nn(CCCNC(=O)Nc2ccccc2Cl)c(C)c1Br ZINC000008274145 221034157 /nfs/dbraw/zinc/03/41/57/221034157.db2.gz JVGZCXOSDMIYGK-UHFFFAOYSA-N 0 0 385.693 4.128 10 0 GIAERN CN(C)c1nc(Cl)c(CN2CCC[C@](CO)(CCc3ccccc3)C2)s1 ZINC000011713830 221123220 /nfs/dbraw/zinc/12/32/20/221123220.db2.gz UCAAJHFFHIZYJQ-FQEVSTJZSA-N 0 0 393.984 4.070 10 0 GIAERN COc1ccc(Nc2ncnc3sc(C(=O)OC(C)C)c(C)c32)c(OC)c1 ZINC000012084689 221148448 /nfs/dbraw/zinc/14/84/48/221148448.db2.gz CCDPALUWMAKJOB-UHFFFAOYSA-N 0 0 387.461 4.326 10 0 GIAERN CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)cc1 ZINC000012198942 221166980 /nfs/dbraw/zinc/16/69/80/221166980.db2.gz HELVTJSZMPIWJR-UHFFFAOYSA-N 0 0 386.517 4.302 10 0 GIAERN O=C([C@H]1CCC(=O)N(C2CCCCCC2)C1)N1CC=C(c2ccccc2)CC1 ZINC000012226455 221170083 /nfs/dbraw/zinc/17/00/83/221170083.db2.gz VDHBPSJYIPILGQ-NRFANRHFSA-N 0 0 380.532 4.264 10 0 GIAERN O=C([C@H]1CCC(=O)N(C2CCCCCC2)C1)N1CCc2c(Cl)cccc2C1 ZINC000012457158 221198764 /nfs/dbraw/zinc/19/87/64/221198764.db2.gz PDWJDRHYAHWIJU-KRWDZBQOSA-N 0 0 388.939 4.186 10 0 GIAERN Fc1ccccc1CN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cn2)CC1 ZINC000012530940 221202812 /nfs/dbraw/zinc/20/28/12/221202812.db2.gz VWXHBZCINAWRKU-UHFFFAOYSA-N 0 0 387.462 4.086 10 0 GIAERN COc1ccccc1N1CCN(C(=O)c2ccc3nc(C4CC4)oc3c2)[C@H](C)C1 ZINC000012373658 221186745 /nfs/dbraw/zinc/18/67/45/221186745.db2.gz AMSQSTVORIZSSY-OAHLLOKOSA-N 0 0 391.471 4.065 10 0 GIAERN COc1c(Br)cc(Cl)cc1NC(=O)c1ccc(Cl)nc1 ZINC000014555063 221312149 /nfs/dbraw/zinc/31/21/49/221312149.db2.gz KZHFONALKACZDF-UHFFFAOYSA-N 0 0 376.037 4.412 10 0 GIAERN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)C)C3)s1 ZINC000014959761 221320642 /nfs/dbraw/zinc/32/06/42/221320642.db2.gz KDIQNKMNANXWFA-HNNXBMFYSA-N 0 0 375.465 4.223 10 0 GIAERN CCCC(=O)NC[C@@H]1Cc2cc(-c3cc(OC)ccc3OC)cc(Cl)c2O1 ZINC000014993209 221324889 /nfs/dbraw/zinc/32/48/89/221324889.db2.gz ITZJPYKVXNFWGB-INIZCTEOSA-N 0 0 389.879 4.244 10 0 GIAERN COc1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc(OC)c1O ZINC000015066078 221329194 /nfs/dbraw/zinc/32/91/94/221329194.db2.gz NFMUYGRNMUBNMY-MRXNPFEDSA-N 0 0 389.879 4.158 10 0 GIAERN CC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1 ZINC000015071209 221330682 /nfs/dbraw/zinc/33/06/82/221330682.db2.gz LXJGSYRJSGNHPZ-QGZVFWFLSA-N 0 0 376.435 4.071 10 0 GIAERN O=C(N[C@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000015861262 221348760 /nfs/dbraw/zinc/34/87/60/221348760.db2.gz KVIUDPYXHGGDRE-HXUWFJFHSA-N 0 0 395.405 4.277 10 0 GIAERN Cc1cccnc1CCNc1ccc(-c2nc(COc3ccccc3)no2)cn1 ZINC000019145285 221399378 /nfs/dbraw/zinc/39/93/78/221399378.db2.gz VNQXWKHAKUFVMI-UHFFFAOYSA-N 0 0 387.443 4.069 10 0 GIAERN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc(COc2ccccc2)on1 ZINC000020780436 221512186 /nfs/dbraw/zinc/51/21/86/221512186.db2.gz APNKVRUTZBXQMC-UHFFFAOYSA-N 0 0 379.391 4.146 10 0 GIAERN O=C(NC1CCCCCC1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023617 136158685 /nfs/dbraw/zinc/15/86/85/136158685.db2.gz JEQGDKOBRQKWDS-LJQANCHMSA-N 0 0 378.520 4.199 10 0 GIAERN Cc1scc2nc(C(C)C)nc(N3CCC(C(=O)NCc4ccco4)CC3)c12 ZINC000065301478 136162876 /nfs/dbraw/zinc/16/28/76/136162876.db2.gz OELBXTHFKUNOHG-UHFFFAOYSA-N 0 0 398.532 4.249 10 0 GIAERN CC1=CC=C(S(=O)(=O)Oc2cc(C=O)ccc2OCc2ccccc2)CC1 ZINC000022051271 221550151 /nfs/dbraw/zinc/55/01/51/221550151.db2.gz RAEMWWMFRHJUPJ-UHFFFAOYSA-N 0 0 384.453 4.411 10 0 in-vitro GIAERN C[C@H]1C[C@H](C)CN(C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)C1 ZINC000027973169 221663841 /nfs/dbraw/zinc/66/38/41/221663841.db2.gz WEPXREWSKBQLNU-KBPBESRZSA-N 0 0 381.398 4.057 10 0 GIAERN C[C@@H]1CN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)O1 ZINC000030807339 221703672 /nfs/dbraw/zinc/70/36/72/221703672.db2.gz WRVNLFSSAAKNEG-VXGBXAGGSA-N 0 0 384.423 4.007 10 0 GIAERN C[C@H]1CCc2cc(F)ccc2N1C(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000035592738 221829737 /nfs/dbraw/zinc/82/97/37/221829737.db2.gz ACQMDWKOGCXPEN-ZDUSSCGKSA-N 0 0 394.402 4.120 10 0 GIAERN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2CC2CCC2)C1 ZINC000037541633 221872941 /nfs/dbraw/zinc/87/29/41/221872941.db2.gz BPVOBDABVQWSTN-INIZCTEOSA-N 0 0 388.533 4.227 10 0 GIAERN COc1ccc(Oc2ncnc(Nc3ccc(Br)cc3)c2N)cc1 ZINC000040782336 221931693 /nfs/dbraw/zinc/93/16/93/221931693.db2.gz IZYRKXRQYOEAIX-UHFFFAOYSA-N 0 0 387.237 4.366 10 0 GIAERN CCOc1ccc(-c2cc(C(=O)NCCCN(CC)c3ccccc3)[nH]n2)cc1 ZINC000051315878 222004582 /nfs/dbraw/zinc/00/45/82/222004582.db2.gz FIADADNPQHHZDH-UHFFFAOYSA-N 0 0 392.503 4.122 10 0 GIAERN CSc1ncc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cn1 ZINC000055357824 222021023 /nfs/dbraw/zinc/02/10/23/222021023.db2.gz QDRHRWIFXYMOEB-GOSISDBHSA-N 0 0 385.533 4.081 10 0 GIAERN O=C(Cc1cccs1)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135622 222101963 /nfs/dbraw/zinc/10/19/63/222101963.db2.gz ONAGJZWGUBDFBX-MRXNPFEDSA-N 0 0 381.476 4.293 10 0 GIAERN O=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135636 222102504 /nfs/dbraw/zinc/10/25/04/222102504.db2.gz FWLJWXMLVUBZLR-KRWDZBQOSA-N 0 0 379.410 4.442 10 0 GIAERN CCCn1ccc2oc(C)c(C(=O)N[C@H](CC)c3ccc(OC)cc3)c2c1=O ZINC000065230393 222112828 /nfs/dbraw/zinc/11/28/28/222112828.db2.gz OQMSAMOITMIOMX-QGZVFWFLSA-N 0 0 382.460 4.203 10 0 GIAERN COc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1OC ZINC000064868166 222085946 /nfs/dbraw/zinc/08/59/46/222085946.db2.gz NSHPXSFNQLPBLW-UHFFFAOYSA-N 0 0 395.484 4.418 10 0 GIAERN CSc1cccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2Cl)c1 ZINC000064896461 222087333 /nfs/dbraw/zinc/08/73/33/222087333.db2.gz ZYEFBVXIPAARDP-UHFFFAOYSA-N 0 0 395.875 4.443 10 0 GIAERN Cc1cccc(NC(=O)CN2CCCC[C@@H]2c2nc(-c3cccc(F)c3)no2)c1 ZINC000065250087 222116139 /nfs/dbraw/zinc/11/61/39/222116139.db2.gz MNDALMDUKCIGAB-LJQANCHMSA-N 0 0 394.450 4.350 10 0 GIAERN O=C(Nc1ccc2c(c1)NC(=O)C[C@@H]2c1cccc2[nH]ccc21)c1cccnc1 ZINC000067676609 222153888 /nfs/dbraw/zinc/15/38/88/222153888.db2.gz QPCZEOJDMQKHEV-LJQANCHMSA-N 0 0 382.423 4.289 10 0 GIAERN CCc1nccc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 ZINC000067878626 222166060 /nfs/dbraw/zinc/16/60/60/222166060.db2.gz IAIUBEHOYFAPEJ-UHFFFAOYSA-N 0 0 395.890 4.460 10 0 GIAERN OCC[C@@H](O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000071250469 222178857 /nfs/dbraw/zinc/17/88/57/222178857.db2.gz ASEWWUUUGQVFDQ-XMMPIXPASA-N 0 0 384.479 4.139 10 0 GIAERN CSc1nc(Cl)cc(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000085334023 222324337 /nfs/dbraw/zinc/32/43/37/222324337.db2.gz KNNXJWODFOQGTI-SNVBAGLBSA-N 0 0 375.947 4.201 10 0 GIAERN COc1ccc(CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000095076293 222328473 /nfs/dbraw/zinc/32/84/73/222328473.db2.gz VAOZYVPWAIIBNQ-UHFFFAOYSA-N 0 0 390.524 4.079 10 0 GIAERN OC1CCN(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000095078281 222328762 /nfs/dbraw/zinc/32/87/62/222328762.db2.gz QKHQBXMLFIMEQX-UHFFFAOYSA-N 0 0 376.287 4.353 10 0 GIAERN O[C@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000095078243 222329375 /nfs/dbraw/zinc/32/93/75/222329375.db2.gz IOCZAWZDCSPKGW-AWEZNQCLSA-N 0 0 376.287 4.353 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(CNc2nc3ccccc3nc2NC2CC2)CC1 ZINC000095083911 222329481 /nfs/dbraw/zinc/32/94/81/222329481.db2.gz GBJXWMZFQKOXHK-UHFFFAOYSA-N 0 0 397.523 4.263 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000095086162 222329955 /nfs/dbraw/zinc/32/99/55/222329955.db2.gz VITSIIBUEYERNH-SFHVURJKSA-N 0 0 376.472 4.106 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCc1cnc(Cl)nc1Cl ZINC000095086406 222330211 /nfs/dbraw/zinc/33/02/11/222330211.db2.gz LEJVFTDWAKZJQB-CYBMUJFWSA-N 0 0 390.311 4.480 10 0 GIAERN CCOC(=O)CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000095093210 222330431 /nfs/dbraw/zinc/33/04/31/222330431.db2.gz RNUXLDMSEJOLQZ-LEWJYISDSA-N 0 0 399.487 4.262 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(CN2CCC[C@H](Cc3ccccc3)C2=O)CC1 ZINC000095929892 222360624 /nfs/dbraw/zinc/36/06/24/222360624.db2.gz BUUGYCGIWFTRJG-HXUWFJFHSA-N 0 0 386.536 4.115 10 0 GIAERN FC(F)(F)COc1ccc(OCC(F)(F)F)c(C2=NC[C@@H]3CCCCN23)c1 ZINC000504198450 534391556 /nfs/dbraw/zinc/39/15/56/534391556.db2.gz QIBNIXTXJKSSAL-NSHDSACASA-N 0 0 396.331 4.184 10 0 GIAERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1nc2ccccc2nc1Cl ZINC000095087364 534889498 /nfs/dbraw/zinc/88/94/98/534889498.db2.gz NPDGFLYQPZRSIA-ZDUSSCGKSA-N 0 0 376.888 4.167 10 0 GIAERN COc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(C)cc2N)cc1OC ZINC000226331406 536775418 /nfs/dbraw/zinc/77/54/18/536775418.db2.gz XKBCBFYRIKXVSY-HNNXBMFYSA-N 0 0 383.492 4.226 10 0 GIAERN COc1ccc(C(=O)Nc2cc(N3CCC[C@H](C)C3)c(C)cc2N)cc1OC ZINC000226331381 536775795 /nfs/dbraw/zinc/77/57/95/536775795.db2.gz MELKBKMXNBTUJM-AWEZNQCLSA-N 0 0 383.492 4.083 10 0 GIAERN COc1ccc(-c2cccc(-n3cncc3C(=O)N(C)C(C)C)c2)cc1OC ZINC000023316667 570241641 /nfs/dbraw/zinc/24/16/41/570241641.db2.gz SYBOTSCTJYQCGX-UHFFFAOYSA-N 0 0 379.460 4.037 10 0 GIAERN Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000224298376 570438233 /nfs/dbraw/zinc/43/82/33/570438233.db2.gz CPRIWSXDFKLTFO-UHFFFAOYSA-N 0 0 387.793 4.476 10 0 GIAERN Fc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccncc2)cc1Cl ZINC000005898693 570460613 /nfs/dbraw/zinc/46/06/13/570460613.db2.gz SGRCDGIOPHIFDB-HNNXBMFYSA-N 0 0 379.888 4.252 10 0 GIAERN COc1cccc(OC)c1OCc1nc(C(=O)N(C)Cc2ccccc2)cs1 ZINC000036084718 570530619 /nfs/dbraw/zinc/53/06/19/570530619.db2.gz ZQOXJGMQELRTRX-UHFFFAOYSA-N 0 0 398.484 4.012 10 0 GIAERN CCCNC(=O)N(Cc1ccco1)Cc1nccn1Cc1cc(C)ccc1C ZINC000006689687 570533167 /nfs/dbraw/zinc/53/31/67/570533167.db2.gz ZSHIPMKEMMJKQJ-UHFFFAOYSA-N 0 0 380.492 4.263 10 0 GIAERN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)C2CCC2)C1=O ZINC000036152575 570551967 /nfs/dbraw/zinc/55/19/67/570551967.db2.gz VMJHHBDKFXTJEP-QHCPKHFHSA-N 0 0 392.524 4.070 10 0 GIAERN COc1ccc(Nc2ncc3c(n2)-c2cn(-c4ccccc4)nc2NCC3)cc1 ZINC000045796166 570649073 /nfs/dbraw/zinc/64/90/73/570649073.db2.gz JBNPJNXQAUEOKR-UHFFFAOYSA-N 0 0 384.443 4.050 10 0 GIAERN Cc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 ZINC000006875262 570664109 /nfs/dbraw/zinc/66/41/09/570664109.db2.gz TXORPTFMQXLXST-LEWJYISDSA-N 0 0 390.508 4.283 10 0 GIAERN Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)Nc1ccccc1F ZINC000021538635 570668577 /nfs/dbraw/zinc/66/85/77/570668577.db2.gz CONKFHSBZYKKJI-UHFFFAOYSA-N 0 0 393.443 4.206 10 0 GIAERN CC1=C(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCCCC2)SCCO1 ZINC000006894973 570692568 /nfs/dbraw/zinc/69/25/68/570692568.db2.gz CAGZEOWJJOYBCE-UHFFFAOYSA-N 0 0 394.924 4.290 10 0 GIAERN CC(C)c1noc([C@H](Nc2ccnc(Cc3ccccc3)n2)C2CCOCC2)n1 ZINC000275483627 570694126 /nfs/dbraw/zinc/69/41/26/570694126.db2.gz VSTJIJXYOAEVTP-HXUWFJFHSA-N 0 0 393.491 4.154 10 0 GIAERN CC[C@@H](C)NC(=O)c1ccc(CN2C(=O)COc3ccc(C(C)(C)C)cc32)cc1 ZINC000004507684 570896351 /nfs/dbraw/zinc/89/63/51/570896351.db2.gz OBIMYOGNIHPXSI-MRXNPFEDSA-N 0 0 394.515 4.438 10 0 GIAERN CC[C@H]1CN(Cc2cc(C)c(I)cc2C)C[C@H](CC)O1 ZINC000675075931 570910118 /nfs/dbraw/zinc/91/01/18/570910118.db2.gz XGDMUGXZOFSNED-HOTGVXAUSA-N 0 0 387.305 4.297 10 0 GIAERN C[C@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)CCc1ccccc1 ZINC000037520678 571022710 /nfs/dbraw/zinc/02/27/10/571022710.db2.gz MZAWIVSWQFBQJI-AWEZNQCLSA-N 0 0 391.298 4.190 10 0 GIAERN Cc1ccc(Cn2c3nnc(-c4ccccc4F)n3c3ccccc3c2=O)cc1 ZINC000006781163 230851422 /nfs/dbraw/zinc/85/14/22/230851422.db2.gz IZTCNRHJRCOXTF-UHFFFAOYSA-N 0 0 384.414 4.207 10 0 GIAERN NC(=O)/C=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409416158 231204685 /nfs/dbraw/zinc/20/46/85/231204685.db2.gz YSRVKCBUKADJKN-UTCJRWHESA-N 0 0 384.632 4.319 10 0 GIAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC1CCCCC1 ZINC000504158326 231294718 /nfs/dbraw/zinc/29/47/18/231294718.db2.gz MYHYSQKQCRYJEM-QKONGSNMSA-N 0 0 398.591 4.349 10 0 GIAERN NC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12 ZINC000226764896 222707566 /nfs/dbraw/zinc/70/75/66/222707566.db2.gz SPHBTINURXZOHC-UHFFFAOYSA-N 0 0 382.778 4.481 10 0 GIAERN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2sc(=NN)[nH]c21 ZINC000226313724 222706126 /nfs/dbraw/zinc/70/61/26/222706126.db2.gz BDDZMWONAMFQQJ-UHFFFAOYSA-N 0 0 390.896 4.340 10 0 GIAERN CCCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1 ZINC000001903831 212260606 /nfs/dbraw/zinc/26/06/06/212260606.db2.gz DVFJNSRZVWHVSY-UHFFFAOYSA-N 0 0 387.501 4.384 10 0 GIAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OC ZINC000001934780 212259654 /nfs/dbraw/zinc/25/96/54/212259654.db2.gz RDNZYUFONPJAIV-NTUHNPAUSA-N 0 0 383.444 4.311 10 0 GIAERN CCOc1ccc2nc(Cl)c(CN(Cc3ccccc3)C(=O)COC)cc2c1 ZINC000001367856 212239571 /nfs/dbraw/zinc/23/95/71/212239571.db2.gz CYEPRHOCOYJFLL-UHFFFAOYSA-N 0 0 398.890 4.462 10 0 GIAERN Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c(N)c1S(=O)(=O)C(C)C ZINC000001047603 212209955 /nfs/dbraw/zinc/20/99/55/212209955.db2.gz GCMMEDYIIWQNAA-UHFFFAOYSA-N 0 0 375.321 4.224 10 0 GIAERN O=C(Oc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1)c1ccccc1 ZINC000001066513 212212295 /nfs/dbraw/zinc/21/22/95/212212295.db2.gz CUTIONGBBDVDKU-LGMDPLHJSA-N 0 0 375.405 4.312 10 0 GIAERN CSc1c([S@](C)=O)[nH]c2cc(Br)cc(Br)c21 ZINC000004613259 212146232 /nfs/dbraw/zinc/14/62/32/212146232.db2.gz RPUHYZCTFRSRAR-MRXNPFEDSA-N 0 0 383.130 4.152 10 0 GIAERN CCOc1nc2ccccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003644270 212146273 /nfs/dbraw/zinc/14/62/73/212146273.db2.gz IDAVGKCQCDLMJO-UHFFFAOYSA-N 0 0 396.454 4.330 10 0 GIAERN COc1cc(C=O)cc(CSC)c1OC(=O)c1ccc(Br)cc1 ZINC000226288810 212114105 /nfs/dbraw/zinc/11/41/05/212114105.db2.gz GNDXQZVHGDEIOD-UHFFFAOYSA-N 0 0 395.274 4.352 10 0 GIAERN Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1Cl ZINC000035684132 212110536 /nfs/dbraw/zinc/11/05/36/212110536.db2.gz JLDDWXRTQFLYMI-UHFFFAOYSA-N 0 0 391.656 4.244 10 0 GIAERN O=C(NC[C@H]1Cc2cccc(-c3ccncc3)c2O1)c1csc2c1CCCC2 ZINC000011786371 212078263 /nfs/dbraw/zinc/07/82/63/212078263.db2.gz AIGURZIJMUKKHV-QGZVFWFLSA-N 0 0 390.508 4.422 10 0 GIAERN COCOc1cc2c(cc1C=O)[C@@H]1CC[C@@]3(C)[C@@H](OCOC)CC[C@H]3[C@H]1CC2 ZINC000006795299 220962375 /nfs/dbraw/zinc/96/23/75/220962375.db2.gz PGRCGHQMTWFDPC-MCMMJTLISA-N 0 0 388.504 4.327 10 0 GIAERN Nc1ncnc2nc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3Cl)c12 ZINC000009694511 221090060 /nfs/dbraw/zinc/09/00/60/221090060.db2.gz QLBKYPWALNBALE-UHFFFAOYSA-N 0 0 376.803 4.323 10 0 GIAERN COc1cc(-c2nc3ncccn3c2NC2CCC(C)CC2)cc(OC)c1OC ZINC000009726993 221090838 /nfs/dbraw/zinc/09/08/38/221090838.db2.gz OINAJESMWQQZGI-UHFFFAOYSA-N 0 0 396.491 4.413 10 0 GIAERN Cc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccc4cc[nH]c4c2)O3)nc1 ZINC000011842154 221132237 /nfs/dbraw/zinc/13/22/37/221132237.db2.gz XFMIJIFULPLHLC-FQEVSTJZSA-N 0 0 383.451 4.272 10 0 GIAERN Cc1cccc(-n2ccnc2CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000011664262 221120495 /nfs/dbraw/zinc/12/04/95/221120495.db2.gz ULKVVHGYICHRHQ-XMMPIXPASA-N 0 0 393.506 4.137 10 0 GIAERN O=C(c1ccccc1)[C@H]1CCCN(c2nncc(-c3cc4ccccc4o3)n2)C1 ZINC000011702505 221122714 /nfs/dbraw/zinc/12/27/14/221122714.db2.gz IDYMVJIDPMFSPR-SFHVURJKSA-N 0 0 384.439 4.384 10 0 GIAERN CCN(Cc1ccccc1)Cc1nc2ccc(Cl)cc2c(N2CCOCC2)n1 ZINC000012135402 221157070 /nfs/dbraw/zinc/15/70/70/221157070.db2.gz XRACXPJHNRUVKQ-UHFFFAOYSA-N 0 0 396.922 4.142 10 0 GIAERN Cc1cccc(C)c1OCc1cc(C(=O)N(C)Cc2nc3ccccc3[nH]2)no1 ZINC000012316428 221181429 /nfs/dbraw/zinc/18/14/29/221181429.db2.gz YMMCWBBETZGDKT-UHFFFAOYSA-N 0 0 390.443 4.019 10 0 GIAERN Cc1cc(Cl)c(C(C)C)cc1OCc1nnc2n1c1ccccc1c(=O)n2C ZINC000012609748 221213917 /nfs/dbraw/zinc/21/39/17/221213917.db2.gz RCOWDYRYXGMBQB-UHFFFAOYSA-N 0 0 396.878 4.245 10 0 GIAERN COc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)n3nc(N)nc3N2)c1 ZINC000013131674 221261270 /nfs/dbraw/zinc/26/12/70/221261270.db2.gz XOODZJNZPOWTFL-HZPDHXFCSA-N 0 0 390.274 4.322 10 0 GIAERN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccc2Cl)CC1 ZINC000013553816 221272978 /nfs/dbraw/zinc/27/29/78/221272978.db2.gz JAVRDYABLFZBNM-UHFFFAOYSA-N 0 0 384.789 4.108 10 0 GIAERN O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000013896919 221292694 /nfs/dbraw/zinc/29/26/94/221292694.db2.gz INZJSDYGKZPCSB-HZPDHXFCSA-N 0 0 380.831 4.048 10 0 GIAERN Cc1ccc([C@@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000014577182 221311691 /nfs/dbraw/zinc/31/16/91/221311691.db2.gz KHILYDKOKICPSL-QFIPXVFZSA-N 0 0 393.508 4.059 10 0 GIAERN O=C(CCc1ccc(-n2cnc3cccnc32)cc1)NCc1ccccc1Cl ZINC000015682005 221339921 /nfs/dbraw/zinc/33/99/21/221339921.db2.gz ZLPPFXGBBBHCAH-UHFFFAOYSA-N 0 0 390.874 4.323 10 0 GIAERN CCOc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2CCCOC)cc1 ZINC000015920596 221352181 /nfs/dbraw/zinc/35/21/81/221352181.db2.gz KWSKQNGJQGRNLE-JOCHJYFZSA-N 0 0 391.471 4.057 10 0 GIAERN CC(=O)c1ccc(-c2nnc(CCC(=O)NC[C@@H]3CC34CCCCC4)o2)s1 ZINC000019741301 221449137 /nfs/dbraw/zinc/44/91/37/221449137.db2.gz VYFWVMAZJOIAAJ-AWEZNQCLSA-N 0 0 387.505 4.020 10 0 GIAERN CCCN(CCC)C(=O)[C@H]1CCCN(c2ccnc(-c3ccc(C)cc3)n2)C1 ZINC000064928976 136158201 /nfs/dbraw/zinc/15/82/01/136158201.db2.gz PRBQEOGXBVPRNL-FQEVSTJZSA-N 0 0 380.536 4.317 10 0 GIAERN COc1cccc(CCC(=O)Nc2ccc3ncnc(N4CCCCC4)c3c2)c1 ZINC000065149148 136159621 /nfs/dbraw/zinc/15/96/21/136159621.db2.gz MQCRRFUTLZWDJE-UHFFFAOYSA-N 0 0 390.487 4.200 10 0 GIAERN Cc1ccc(Nc2nc(N3CCN(c4ccccn4)CC3)nc3ccccc32)cc1 ZINC000072260490 136167845 /nfs/dbraw/zinc/16/78/45/136167845.db2.gz QTLRLPTZRCUJNV-UHFFFAOYSA-N 0 0 396.498 4.403 10 0 GIAERN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nc3ccccc3nc2Cl)C1 ZINC000095074498 136177704 /nfs/dbraw/zinc/17/77/04/136177704.db2.gz HTZNQTQHAYXXFM-ZDUSSCGKSA-N 0 0 376.888 4.119 10 0 GIAERN CC(C)(C)OC(=O)NCC1CCN(c2nc3ccccc3nc2Cl)CC1 ZINC000095087871 136177754 /nfs/dbraw/zinc/17/77/54/136177754.db2.gz DEIGOGMZLCYZGE-UHFFFAOYSA-N 0 0 376.888 4.024 10 0 GIAERN COc1ccc2c(c1)-c1onc(C(=O)N3CC=C(c4ccccc4)CC3)c1CC2 ZINC000023317227 221592313 /nfs/dbraw/zinc/59/23/13/221592313.db2.gz AHANREPHTKRAJZ-UHFFFAOYSA-N 0 0 386.451 4.378 10 0 GIAERN CCN(C)C(=O)c1cc(-c2cnc(-c3ccncc3)nc2)nc2c(C)cccc12 ZINC000023506869 221599204 /nfs/dbraw/zinc/59/92/04/221599204.db2.gz ZMWNQKTURHEGQN-UHFFFAOYSA-N 0 0 383.455 4.154 10 0 GIAERN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1c1cccc(O)c1 ZINC000026895185 221647384 /nfs/dbraw/zinc/64/73/84/221647384.db2.gz XVUYDQJJUAJGKG-RIYZIHGNSA-N 0 0 376.231 4.396 10 0 GIAERN Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)c(C)c1Br ZINC000027970278 221663652 /nfs/dbraw/zinc/66/36/52/221663652.db2.gz JWUJGGXHZJIQOG-CYBMUJFWSA-N 0 0 390.325 4.183 10 0 GIAERN O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccn(COc2cccc(Cl)c2)n1 ZINC000028239769 221671475 /nfs/dbraw/zinc/67/14/75/221671475.db2.gz HJWDYIXBTFUBCY-UHFFFAOYSA-N 0 0 393.834 4.215 10 0 GIAERN CCOc1ccccc1NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000028237761 221671994 /nfs/dbraw/zinc/67/19/94/221671994.db2.gz VDNBZKWKHQWXDY-JTQLQIEISA-N 0 0 375.778 4.462 10 0 GIAERN Cc1nn(Cn2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)n2)c(C)c1Cl ZINC000028238216 221672008 /nfs/dbraw/zinc/67/20/08/221672008.db2.gz UBTWQWRJVSFWBK-UHFFFAOYSA-N 0 0 397.788 4.127 10 0 GIAERN COc1cccc(CNC(=O)c2ccc(Cl)c(-n3cnc4cccnc43)c2)c1 ZINC000032932112 221753792 /nfs/dbraw/zinc/75/37/92/221753792.db2.gz DUVMXZOPOMPGNC-UHFFFAOYSA-N 0 0 392.846 4.013 10 0 GIAERN Cc1[nH]c(C(=O)N2CCC(CC(=O)N[C@@H](C)c3ccccc3)CC2)c(C)c1C ZINC000033024392 221765306 /nfs/dbraw/zinc/76/53/06/221765306.db2.gz NOFMXLTZYNLRJF-SFHVURJKSA-N 0 0 381.520 4.060 10 0 GIAERN COc1ccc(C(=O)N(Cc2cc(-c3ccc(OC)cc3)on2)C2CC2)cc1 ZINC000036001708 221836914 /nfs/dbraw/zinc/83/69/14/221836914.db2.gz OMXDONSFHIJAER-UHFFFAOYSA-N 0 0 378.428 4.164 10 0 GIAERN CC(C)NC(=O)N1CCc2[nH]nc(-c3ccc(OCc4ccccc4)cc3)c2C1 ZINC000038558232 221883005 /nfs/dbraw/zinc/88/30/05/221883005.db2.gz XOOQFBDPYNINCW-UHFFFAOYSA-N 0 0 390.487 4.132 10 0 GIAERN Cc1cc(Br)ccc1NC(=O)c1ccc(Br)c(N)c1 ZINC000040296698 221919887 /nfs/dbraw/zinc/91/98/87/221919887.db2.gz FUVGPEOLXCWRCE-UHFFFAOYSA-N 0 0 384.071 4.355 10 0 GIAERN COc1ccc(N(CC(=O)NC2CC2)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000040388739 221920755 /nfs/dbraw/zinc/92/07/55/221920755.db2.gz PHHRPSYUGYPCTE-UHFFFAOYSA-N 0 0 397.475 4.375 10 0 GIAERN COC(=O)CC1=CC(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc2N1 ZINC000049421614 221999321 /nfs/dbraw/zinc/99/93/21/221999321.db2.gz OZDPZHZIJKMFTH-UHFFFAOYSA-N 0 0 390.361 4.111 10 0 GIAERN CSc1cccc(NC(=O)N2CCCN(c3nc4cccnc4s3)CC2)c1 ZINC000065030643 222096923 /nfs/dbraw/zinc/09/69/23/222096923.db2.gz OUTQKFBPPUCFBO-UHFFFAOYSA-N 0 0 399.545 4.157 10 0 GIAERN COc1ccc(-c2nccc([C@@H]3CCCN(C(=O)Cc4cccs4)C3)n2)cc1 ZINC000065135545 222101570 /nfs/dbraw/zinc/10/15/70/222101570.db2.gz RIGANBJPJPGNAH-QGZVFWFLSA-N 0 0 393.512 4.162 10 0 GIAERN O=C(Nc1ccc2c(c1)ncnc2N1CCCC1)c1cccc(Br)c1 ZINC000065134934 222102079 /nfs/dbraw/zinc/10/20/79/222102079.db2.gz YNTVYHYEDSAQIO-UHFFFAOYSA-N 0 0 397.276 4.245 10 0 GIAERN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2ccnc(Nc3ccccc3)n2)C1 ZINC000065147849 222102943 /nfs/dbraw/zinc/10/29/43/222102943.db2.gz UANFCEYGUQTCHE-QGZVFWFLSA-N 0 0 376.435 4.379 10 0 GIAERN CC[C@@H](C)NC(=O)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957127 222089091 /nfs/dbraw/zinc/08/90/91/222089091.db2.gz DXVPMSUOOSTPLE-QGZVFWFLSA-N 0 0 392.503 4.121 10 0 GIAERN Cc1c(Cl)cccc1NC(=O)c1cnn2c1ncc1c2CC(C)(C)CC1=O ZINC000064987421 222092548 /nfs/dbraw/zinc/09/25/48/222092548.db2.gz BZVZWRPURHAEID-UHFFFAOYSA-N 0 0 382.851 4.099 10 0 GIAERN COc1c(C)cnc(CN2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)c1C ZINC000067846879 222164141 /nfs/dbraw/zinc/16/41/41/222164141.db2.gz ZZUXHBRPOSOBHR-UHFFFAOYSA-N 0 0 382.895 4.309 10 0 GIAERN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N[C@@H]1CCCc2ccccc21 ZINC000085642921 222325473 /nfs/dbraw/zinc/32/54/73/222325473.db2.gz JEVMCSOTYIMGCX-OAQYLSRUSA-N 0 0 395.528 4.153 10 0 GIAERN CC(C)(C)OC(=O)N1CCC(COCc2ccc(Br)nc2)CC1 ZINC000095084152 222328552 /nfs/dbraw/zinc/32/85/52/222328552.db2.gz XFHLRYAHKRKMJF-UHFFFAOYSA-N 0 0 385.302 4.008 10 0 GIAERN CSc1nc(Cl)cc(OCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095076676 222329181 /nfs/dbraw/zinc/32/91/81/222329181.db2.gz BSIIZFHIFVGJDV-LBPRGKRZSA-N 0 0 387.933 4.410 10 0 GIAERN O[C@H]1CCCN(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)C1 ZINC000095078239 222329536 /nfs/dbraw/zinc/32/95/36/222329536.db2.gz KHZRNVRXYWMNIA-ZDUSSCGKSA-N 0 0 376.287 4.353 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl ZINC000095086187 222330105 /nfs/dbraw/zinc/33/01/05/222330105.db2.gz XIALHDKUGWJPPT-OAHLLOKOSA-N 0 0 387.307 4.399 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1nc2ccccc2nc1NC1CC1 ZINC000095085733 222330111 /nfs/dbraw/zinc/33/01/11/222330111.db2.gz OWUWSCJBVRHIQQ-OAHLLOKOSA-N 0 0 383.496 4.016 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000095084705 222330483 /nfs/dbraw/zinc/33/04/83/222330483.db2.gz VKZUYKLWNKEYLL-ZDUSSCGKSA-N 0 0 387.307 4.257 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c3ncccc3nc2C(F)(F)F)C1 ZINC000095085225 222330935 /nfs/dbraw/zinc/33/09/35/222330935.db2.gz IQLWNXGTSDAELX-GFCCVEGCSA-N 0 0 384.402 4.097 10 0 GIAERN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)N1CCc2ccccc21 ZINC000101354174 222470987 /nfs/dbraw/zinc/47/09/87/222470987.db2.gz LYBHPKMHNMOOFC-UHFFFAOYSA-N 0 0 395.462 4.133 10 0 GIAERN CCN(C(=O)CN1c2ccccc2N=C2CCC[C@H]2C1=O)c1cccc(C)c1 ZINC000101946843 222477584 /nfs/dbraw/zinc/47/75/84/222477584.db2.gz NZZZTULNEUYPGM-GOSISDBHSA-N 0 0 375.472 4.267 10 0 GIAERN CCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000073652959 521433003 /nfs/dbraw/zinc/43/30/03/521433003.db2.gz HVJIJDXIICLAEA-UHFFFAOYSA-N 0 0 376.497 4.435 10 0 GIAERN O=C1c2cc(Br)cc(Br)c2NCN1C1CCCCC1 ZINC000504210253 534847909 /nfs/dbraw/zinc/84/79/09/534847909.db2.gz UIKZINGLGKAFLE-UHFFFAOYSA-N 0 0 388.103 4.370 10 0 GIAERN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000006779285 528117601 /nfs/dbraw/zinc/11/76/01/528117601.db2.gz OIPZYOIXMGIYPP-GFCCVEGCSA-N 0 0 376.503 4.044 10 0 GIAERN COc1ccc(C(=O)Nc2cc(N3CCC[C@@H](C)C3)c(C)cc2N)cc1OC ZINC000226331374 536776262 /nfs/dbraw/zinc/77/62/62/536776262.db2.gz MELKBKMXNBTUJM-CQSZACIVSA-N 0 0 383.492 4.083 10 0 GIAERN CCCCC[C@@H](C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000015256947 560096969 /nfs/dbraw/zinc/09/69/69/560096969.db2.gz PXBFKEHWQRAQQD-OALUTQOASA-N 0 0 380.481 4.167 10 0 endogenous,in-man GIAERN Cc1nn(C)c(Oc2ccc(Cl)cc2)c1-c1nc2c(C3CC3)[nH]n(C)c-2n1 ZINC000020860035 570282353 /nfs/dbraw/zinc/28/23/53/570282353.db2.gz VEQISKGJCQSJQF-UHFFFAOYSA-N 0 0 382.855 4.328 10 0 GIAERN Nc1cccc2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CCO2 ZINC000725259007 570304696 /nfs/dbraw/zinc/30/46/96/570304696.db2.gz BHEWKSCPWDIEFW-UHFFFAOYSA-N 0 0 386.451 4.412 10 0 GIAERN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(F)cc3)CC1)c1cccn1-2 ZINC000035399543 570350539 /nfs/dbraw/zinc/35/05/39/570350539.db2.gz YUJADTOJPYPTJN-UHFFFAOYSA-N 0 0 391.446 4.182 10 0 GIAERN CCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1C ZINC000036052326 570523286 /nfs/dbraw/zinc/52/32/86/570523286.db2.gz WAFDXVKBRMEFDV-RTBURBONSA-N 0 0 384.907 4.030 10 0 GIAERN O=C(NCc1ccc(Cl)cc1)C1CCN(c2ncccc2-n2cccc2)CC1 ZINC000033034549 570670983 /nfs/dbraw/zinc/67/09/83/570670983.db2.gz WNFRMVPOGRVMOW-UHFFFAOYSA-N 0 0 394.906 4.059 10 0 GIAERN O=C(CCc1ccccc1)NCCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000006773110 570906138 /nfs/dbraw/zinc/90/61/38/570906138.db2.gz GUEBSBUPZZDLRU-UHFFFAOYSA-N 0 0 389.377 4.047 10 0 GIAERN CCOC(=O)c1ccc(Oc2ccc(Br)c(C=O)c2)nc1OCC ZINC000146964726 570935103 /nfs/dbraw/zinc/93/51/03/570935103.db2.gz FXNFHBBZWMZNFL-UHFFFAOYSA-N 0 0 394.221 4.024 10 0 GIAERN Cc1cc(NC(=O)COc2ccc(Cl)cc2C)cc(Br)c1O ZINC000226243270 570935581 /nfs/dbraw/zinc/93/55/81/570935581.db2.gz LWMQIZOUMJKCGA-UHFFFAOYSA-N 0 0 384.657 4.442 10 0 GIAERN C[C@H](NC(=O)Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)c1ccccc1 ZINC000023242388 570991399 /nfs/dbraw/zinc/99/13/99/570991399.db2.gz KCYQGXHWKXUIHY-AWEZNQCLSA-N 0 0 397.475 4.034 10 0 GIAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1ccc(Cl)cn1)CC2 ZINC000567148220 570997185 /nfs/dbraw/zinc/99/71/85/570997185.db2.gz IXPHVAOZYJYPMZ-LJQANCHMSA-N 0 0 389.952 4.200 10 0 GIAERN COc1ccccc1C(=O)c1cn(Cc2ccccc2C)c2nc(C)ccc2c1=O ZINC000046053779 571015581 /nfs/dbraw/zinc/01/55/81/571015581.db2.gz RILLOALQCPEHPH-UHFFFAOYSA-N 0 0 398.462 4.301 10 0 GIAERN Cc1cc(NC(=O)c2ccc(Br)cc2)cc(Br)c1O ZINC000226242890 222704624 /nfs/dbraw/zinc/70/46/24/222704624.db2.gz VTKGUTZJHKHJDV-UHFFFAOYSA-N 0 0 385.055 4.478 10 0 GIAERN COc1ccc(OC)c(NC(=O)/C=C/c2ccc(OC)c(Br)c2)c1 ZINC000001940242 212260415 /nfs/dbraw/zinc/26/04/15/212260415.db2.gz WLWNLHFDXPAOEO-WEVVVXLNSA-N 0 0 392.249 4.127 10 0 GIAERN CCCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000001927424 212260527 /nfs/dbraw/zinc/26/05/27/212260527.db2.gz AGFMJKACDDGJMW-VAWYXSNFSA-N 0 0 384.501 4.167 10 0 GIAERN COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C=CC(C)(C)O4 ZINC000001531823 212249604 /nfs/dbraw/zinc/24/96/04/212249604.db2.gz ORDAZKGHSNRHTD-VQTJNVASSA-N 0 0 394.423 4.008 10 0 biogenic,in-vitro GIAERN O=C1c2ccccc2C(=O)N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000001507984 212247583 /nfs/dbraw/zinc/24/75/83/212247583.db2.gz ZZZCDAJBCSADKT-UHFFFAOYSA-N 0 0 385.242 4.373 10 0 GIAERN COc1cc(Br)c(CCC(=O)Nc2ccc(C)cc2)cc1OC ZINC000001283894 212233437 /nfs/dbraw/zinc/23/34/37/212233437.db2.gz BYJIRHGNNFIBSJ-UHFFFAOYSA-N 0 0 378.266 4.346 10 0 GIAERN C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000000907902 212193415 /nfs/dbraw/zinc/19/34/15/212193415.db2.gz GVZFYPBZTPCWFV-CALCHBBNSA-N 0 0 397.478 4.264 10 0 GIAERN O=C1CO[C@@H](c2ccc(OCc3ccccc3)cc2)CN1CCc1ccccc1 ZINC000090659836 212150656 /nfs/dbraw/zinc/15/06/56/212150656.db2.gz KZZZJLBEEAECKJ-XMMPIXPASA-N 0 0 387.479 4.408 10 0 GIAERN Cc1nc2c(nnn2Cc2ccccc2)c(NCc2cccc(C(F)(F)F)c2)n1 ZINC000004968046 212146165 /nfs/dbraw/zinc/14/61/65/212146165.db2.gz DCGCSLYFSFKSSK-UHFFFAOYSA-N 0 0 398.392 4.209 10 0 GIAERN CC1(C)CO[C@@]2(c3ccccc3)N1C(=C(Cl)Cl)OC(=O)C2(Cl)Cl ZINC000005741594 212148574 /nfs/dbraw/zinc/14/85/74/212148574.db2.gz FCJLGGHOXKWZGJ-OAHLLOKOSA-N 0 0 397.085 4.285 10 0 GIAERN COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1F ZINC000226288056 212115267 /nfs/dbraw/zinc/11/52/67/212115267.db2.gz REKDIDZKASLDCC-UHFFFAOYSA-N 0 0 376.387 4.247 10 0 GIAERN COc1cc(N(C)C(=O)C(F)(F)F)ccc1NC(=O)c1cc2ccccc2o1 ZINC000226285822 212114977 /nfs/dbraw/zinc/11/49/77/212114977.db2.gz YHOQSLVLHARDBQ-UHFFFAOYSA-N 0 0 392.333 4.219 10 0 GIAERN Cc1ccccc1C(=O)N1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 ZINC000226245471 212114094 /nfs/dbraw/zinc/11/40/94/212114094.db2.gz HYQVEQNQMHPDBW-UHFFFAOYSA-N 0 0 379.891 4.402 10 0 GIAERN NC(=O)/C=C\c1cc(Br)c(-c2ccc(Br)cc2F)o1 ZINC000352066470 212113846 /nfs/dbraw/zinc/11/38/46/212113846.db2.gz BDDKWCQWGFJOGL-RQOWECAXSA-N 0 0 389.018 4.109 10 0 GIAERN O=C1CCCc2cc(OCc3ccc(I)cc3)ccc21 ZINC000115901282 212111678 /nfs/dbraw/zinc/11/16/78/212111678.db2.gz NGGGCCBWQXZVJE-UHFFFAOYSA-N 0 0 378.209 4.389 10 0 GIAERN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(-n2cnnc2)c1 ZINC000032646844 212109208 /nfs/dbraw/zinc/10/92/08/212109208.db2.gz ZEFNQGKPJOEDSO-HNNXBMFYSA-N 0 0 378.476 4.415 10 0 GIAERN COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)[C@H]1CCCO1 ZINC000028284566 212108737 /nfs/dbraw/zinc/10/87/37/212108737.db2.gz GNOAEJYOWUIVGG-QGZVFWFLSA-N 0 0 385.485 4.198 10 0 GIAERN O=C(c1cccs1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002456479 220534674 /nfs/dbraw/zinc/53/46/74/220534674.db2.gz CEHYYCHVLGWCKN-LJQANCHMSA-N 0 0 384.407 4.210 10 0 GIAERN O=C(c1cccs1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456481 220535801 /nfs/dbraw/zinc/53/58/01/220535801.db2.gz CEHYYCHVLGWCKN-IBGZPJMESA-N 0 0 384.407 4.210 10 0 GIAERN O=C(Nc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000003114953 220604233 /nfs/dbraw/zinc/60/42/33/220604233.db2.gz WWTRKNAWIBBLBS-UHFFFAOYSA-N 0 0 376.799 4.393 10 0 GIAERN CC[C@H](C)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)C1CC1 ZINC000006722144 220953219 /nfs/dbraw/zinc/95/32/19/220953219.db2.gz BRWQDEOPZCPOQY-HNNXBMFYSA-N 0 0 383.492 4.135 10 0 GIAERN CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)n1sc2ccccc2c1=O ZINC000006800121 220963108 /nfs/dbraw/zinc/96/31/08/220963108.db2.gz NZSNLIXVLSAZID-GOSISDBHSA-N 0 0 384.501 4.118 10 0 GIAERN CCOc1ccccc1CNC(=O)c1ccc(C[S@@](=O)c2ccccc2C)o1 ZINC000006895418 220976785 /nfs/dbraw/zinc/97/67/85/220976785.db2.gz LWOVHVOPFWOZKA-NDEPHWFRSA-N 0 0 397.496 4.225 10 0 GIAERN Fc1ccc(-c2cnnc(N3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000011753838 221125077 /nfs/dbraw/zinc/12/50/77/221125077.db2.gz PRYPNJQUAQNWCW-OAHLLOKOSA-N 0 0 375.407 4.203 10 0 GIAERN Cc1noc(C)c1CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012386903 221187467 /nfs/dbraw/zinc/18/74/67/221187467.db2.gz UONZMUUTEGIECF-FQEVSTJZSA-N 0 0 392.503 4.158 10 0 GIAERN COCCn1c(-c2[nH]c(C)c(C(C)=O)c2C)csc1=Nc1ccccc1OC ZINC000012827755 221237249 /nfs/dbraw/zinc/23/72/49/221237249.db2.gz WWXOQCRAROUTRV-LNVKXUELSA-N 0 0 399.516 4.252 10 0 GIAERN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3nc(N)nc3N2)cc1 ZINC000013131582 221261955 /nfs/dbraw/zinc/26/19/55/221261955.db2.gz XBZSSUUTNKWRGZ-CVEARBPZSA-N 0 0 390.274 4.322 10 0 GIAERN COc1cc2oc(=O)c3c(c2cc1OC)CCN(Cc1ccc(Cl)cc1)C3 ZINC000013764623 221288041 /nfs/dbraw/zinc/28/80/41/221288041.db2.gz VEPYYOGIARRSSX-UHFFFAOYSA-N 0 0 385.847 4.022 10 0 GIAERN O=C(NCc1nc2ccc(Cl)cc2c(NC2CCCC2)n1)c1cncs1 ZINC000015067341 221330199 /nfs/dbraw/zinc/33/01/99/221330199.db2.gz WLWWVYDIXODQCK-UHFFFAOYSA-N 0 0 387.896 4.024 10 0 GIAERN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1Cl ZINC000015730410 221342261 /nfs/dbraw/zinc/34/22/61/221342261.db2.gz IHGDHZPFRYWHCW-NSHDSACASA-N 0 0 396.921 4.272 10 0 GIAERN CC(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 ZINC000020369422 221484217 /nfs/dbraw/zinc/48/42/17/221484217.db2.gz FJQVDFLEDOWBRI-UHFFFAOYSA-N 0 0 387.439 4.079 10 0 GIAERN Cc1ccc(CNC(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)o1 ZINC000020996924 221522725 /nfs/dbraw/zinc/52/27/25/221522725.db2.gz SQRRQLVHQOXBLS-UHFFFAOYSA-N 0 0 380.322 4.104 10 0 GIAERN Nc1c(Oc2ccc(Br)cc2)ncnc1N1CCc2ccccc2C1 ZINC000040780758 132406634 /nfs/dbraw/zinc/40/66/34/132406634.db2.gz VHHMXSWEWFFQRY-UHFFFAOYSA-N 0 0 397.276 4.176 10 0 GIAERN CCc1nc2csc(C)c2c(N2CCC(C(=O)NC3CCCCC3)CC2)n1 ZINC000065301423 136162947 /nfs/dbraw/zinc/16/29/47/136162947.db2.gz QWQDEJXRNUWDEE-UHFFFAOYSA-N 0 0 386.565 4.227 10 0 GIAERN CC(=O)C[C@H]1c2cc3c(cc2-c2ccc4cc5c(cc4c2N1C)OCO5)OCO3 ZINC000013304762 136201041 /nfs/dbraw/zinc/20/10/41/136201041.db2.gz GJBHZMIAIYWRBK-SFHVURJKSA-N 0 0 389.407 4.434 10 0 GIAERN CCCCN(C)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000026504596 221643098 /nfs/dbraw/zinc/64/30/98/221643098.db2.gz KKLGMRPRWUVFEZ-UHFFFAOYSA-N 0 0 394.515 4.246 10 0 GIAERN CCOC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1C(C)(C)C ZINC000027912614 221662905 /nfs/dbraw/zinc/66/29/05/221662905.db2.gz FBZOHSMQGDBPSG-UHFFFAOYSA-N 0 0 385.460 4.187 10 0 GIAERN CCn1c(=O)c(Nc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 ZINC000028536883 221679961 /nfs/dbraw/zinc/67/99/61/221679961.db2.gz HUDHGYVIOXTROQ-UHFFFAOYSA-N 0 0 390.871 4.487 10 0 GIAERN CCCCN1C(=O)C(=Cc2ccc(COc3cc(C)cc(C)c3)o2)NC1=S ZINC000033796075 221796920 /nfs/dbraw/zinc/79/69/20/221796920.db2.gz XOFOFNVWYPAINE-XDHOZWIPSA-N 0 0 384.501 4.333 10 0 GIAERN COc1cccc([C@@H]2c3oc4ccccc4c(=O)c3C(=O)N2Cc2ccco2)c1 ZINC000041104994 221938253 /nfs/dbraw/zinc/93/82/53/221938253.db2.gz PQSNMTSRDVVYMQ-HXUWFJFHSA-N 0 0 387.391 4.140 10 0 GIAERN COc1cc2c(cc1OC)CN(C(=O)N[C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000056910166 222026139 /nfs/dbraw/zinc/02/61/39/222026139.db2.gz HFKMTZHWFZVMSW-SFHVURJKSA-N 0 0 386.879 4.112 10 0 GIAERN CC[C@@H]1C(=O)NCCN1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000055100271 222016315 /nfs/dbraw/zinc/01/63/15/222016315.db2.gz FUSSCZQVVQIIPW-OAQYLSRUSA-N 0 0 375.472 4.027 10 0 GIAERN Cc1ccccc1CNC(=O)c1nc2c3ccccc3oc2c(N2CCCC2)n1 ZINC000065024947 222095448 /nfs/dbraw/zinc/09/54/48/222095448.db2.gz PSAIKQLDZRYYFN-UHFFFAOYSA-N 0 0 386.455 4.215 10 0 GIAERN Cn1c2cc(NC(=O)NC3CCCCC3)c(Oc3ccccc3)cc2n(C)c1=O ZINC000064591738 222075178 /nfs/dbraw/zinc/07/51/78/222075178.db2.gz NQBGQUYINULRSI-UHFFFAOYSA-N 0 0 394.475 4.124 10 0 GIAERN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@H](C)C(=O)NC(C)C)CC1 ZINC000064668010 222078074 /nfs/dbraw/zinc/07/80/74/222078074.db2.gz BOKCRLJCMNLEJY-HNNXBMFYSA-N 0 0 399.560 4.131 10 0 GIAERN O=C(CN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1)Nc1ccccc1 ZINC000065250085 222116700 /nfs/dbraw/zinc/11/67/00/222116700.db2.gz DPTVZKCYONEKRP-GOSISDBHSA-N 0 0 380.423 4.041 10 0 GIAERN O=C(Nc1cc(F)ccc1F)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272871 222119137 /nfs/dbraw/zinc/11/91/37/222119137.db2.gz VAOCDMXDJYTACZ-LBPRGKRZSA-N 0 0 390.455 4.006 10 0 GIAERN CCC1(CC)CCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1 ZINC000067758867 222157731 /nfs/dbraw/zinc/15/77/31/222157731.db2.gz GGRYMDQZYMVZHJ-UHFFFAOYSA-N 0 0 379.460 4.454 10 0 GIAERN CCOC(=O)c1sc2nc(C)nc(NCCc3cccc(OC)c3)c2c1C ZINC000072260919 222217838 /nfs/dbraw/zinc/21/78/38/222217838.db2.gz WOKXDMPDNVHZAN-UHFFFAOYSA-N 0 0 385.489 4.148 10 0 GIAERN COc1ccc(Nc2nc(Nc3ccc(C(N)=O)cc3)nc3ccccc32)cc1 ZINC000072261034 222217846 /nfs/dbraw/zinc/21/78/46/222217846.db2.gz WBOQSRMFWQAMJC-UHFFFAOYSA-N 0 0 385.427 4.225 10 0 GIAERN O=C(Nc1ccccc1C(=O)c1cc(Br)ccn1)c1ccccc1 ZINC000085473662 222323014 /nfs/dbraw/zinc/32/30/14/222323014.db2.gz ABGBPSTYWNPAST-UHFFFAOYSA-N 0 0 381.229 4.327 10 0 GIAERN CSc1nc(Cl)cc(S[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000085333321 222324005 /nfs/dbraw/zinc/32/40/05/222324005.db2.gz JKOFRVKATIHUTC-SNVBAGLBSA-N 0 0 375.947 4.344 10 0 GIAERN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000085642924 222324673 /nfs/dbraw/zinc/32/46/73/222324673.db2.gz JEVMCSOTYIMGCX-NRFANRHFSA-N 0 0 395.528 4.153 10 0 GIAERN Cc1c2c(c(C)c(C)c1N)O[C@@](C)(Cn1ccc(-c3cccc4c3NCC4)n1)C2 ZINC000089210154 222328015 /nfs/dbraw/zinc/32/80/15/222328015.db2.gz ZYJJADWORJSJIZ-XMMPIXPASA-N 0 0 388.515 4.419 10 0 GIAERN CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)Nc2ccccc2)NC1=O ZINC000094992723 222328486 /nfs/dbraw/zinc/32/84/86/222328486.db2.gz ZIVNWKFRBJNKRI-CYBMUJFWSA-N 0 0 375.494 4.044 10 0 GIAERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2nc1Cl ZINC000095075314 222328703 /nfs/dbraw/zinc/32/87/03/222328703.db2.gz XIVMNSCWYWUWLB-ZDUSSCGKSA-N 0 0 376.888 4.119 10 0 GIAERN CSc1nc(Cl)cc(OCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095076677 222329321 /nfs/dbraw/zinc/32/93/21/222329321.db2.gz BLMZRSDHOKODNA-GFCCVEGCSA-N 0 0 387.933 4.268 10 0 GIAERN COc1ccc(CN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C(C)C)cc1 ZINC000095076292 222329579 /nfs/dbraw/zinc/32/95/79/222329579.db2.gz GOEIOSSMDKVKIC-SFHVURJKSA-N 0 0 390.524 4.079 10 0 GIAERN CC(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088130 222329941 /nfs/dbraw/zinc/32/99/41/222329941.db2.gz UWSHIOQNIVNMHC-GOSISDBHSA-N 0 0 378.488 4.352 10 0 GIAERN CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091185 222330335 /nfs/dbraw/zinc/33/03/35/222330335.db2.gz BQQDAKKXLLBFEG-QGZVFWFLSA-N 0 0 380.916 4.478 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000095086183 222330494 /nfs/dbraw/zinc/33/04/94/222330494.db2.gz VDKHCYXIOZJTHX-OAHLLOKOSA-N 0 0 387.307 4.399 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1c(Cl)cccc1Cl ZINC000095086176 222330742 /nfs/dbraw/zinc/33/07/42/222330742.db2.gz CRLGQZXTWXIBJX-HNNXBMFYSA-N 0 0 387.307 4.399 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](Cn2c3ncccc3nc2C(F)(F)F)C1 ZINC000095085224 222330751 /nfs/dbraw/zinc/33/07/51/222330751.db2.gz IQLWNXGTSDAELX-LBPRGKRZSA-N 0 0 384.402 4.097 10 0 GIAERN CC(C)(C)OC(=O)N1CCC[C@H](COc2nc3ccccc3nc2NC2CC2)C1 ZINC000095085412 222330774 /nfs/dbraw/zinc/33/07/74/222330774.db2.gz MKPHLDRZBRZANV-HNNXBMFYSA-N 0 0 398.507 4.230 10 0 GIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1nc2ccccc2nc1NC1CC1 ZINC000095086477 222330848 /nfs/dbraw/zinc/33/08/48/222330848.db2.gz CRPKAXLDQAOQSI-INIZCTEOSA-N 0 0 397.523 4.406 10 0 GIAERN CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccc(Cl)cc2)C1 ZINC000078496468 222296972 /nfs/dbraw/zinc/29/69/72/222296972.db2.gz KWFRTTXSNVYOGO-UHFFFAOYSA-N 0 0 383.854 4.296 10 0 GIAERN O=C1CCN(c2cc(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000073679038 526988427 /nfs/dbraw/zinc/98/84/27/526988427.db2.gz ZFGUWQQNLITVGJ-UHFFFAOYSA-N 0 0 398.388 4.394 10 0 GIAERN CCOC(=O)C1CCN(c2ccc(N3C(=O)C=C4CCCCC[C@H]43)cc2)CC1 ZINC000085347835 535603691 /nfs/dbraw/zinc/60/36/91/535603691.db2.gz GXQQQJIJQWBBGN-OAQYLSRUSA-N 0 0 382.504 4.072 10 0 GIAERN COCOc1cc2c(cc1C=O)[C@H]1CC[C@]3(C)[C@@H](OCOC)CC[C@H]3[C@@H]1CC2 ZINC000022059652 570303653 /nfs/dbraw/zinc/30/36/53/570303653.db2.gz PGRCGHQMTWFDPC-PAHONEIHSA-N 0 0 388.504 4.327 10 0 in-vitro GIAERN COc1ccc(CC(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)cc1 ZINC000224336657 570446340 /nfs/dbraw/zinc/44/63/40/570446340.db2.gz CCNFBAIYTZZGAG-UHFFFAOYSA-N 0 0 381.407 4.215 10 0 GIAERN CCCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)c1cccc(OC)c1 ZINC000034794624 570543929 /nfs/dbraw/zinc/54/39/29/570543929.db2.gz QNDWMUYKQLCCNB-UHFFFAOYSA-N 0 0 379.416 4.019 10 0 GIAERN CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 ZINC000035077985 570549202 /nfs/dbraw/zinc/54/92/02/570549202.db2.gz LBVKEEFIPBQIMD-JTQLQIEISA-N 0 0 391.838 4.091 10 0 in-vitro GIAERN Cc1cc(OCCOc2ccccc2/C=C2/SC(=N)NC2=O)ccc1Cl ZINC000006768636 570578719 /nfs/dbraw/zinc/57/87/19/570578719.db2.gz GCZYIOHQNHCBCB-GZTJUZNOSA-N 0 0 388.876 4.245 10 0 GIAERN Cc1c(Br)cnc(NC2CC2)c1NC(=O)c1cccnc1Cl ZINC000039141013 570589003 /nfs/dbraw/zinc/58/90/03/570589003.db2.gz GMTLDWLAZXKJQE-UHFFFAOYSA-N 0 0 381.661 4.028 10 0 in-vitro GIAERN FC(F)c1n[nH]c(I)c1-c1cccc(Br)c1 ZINC000675076896 570644905 /nfs/dbraw/zinc/64/49/05/570644905.db2.gz UEXBXDMTLIFPON-UHFFFAOYSA-N 0 0 398.976 4.381 10 0 GIAERN CCCCNC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000004340667 570675977 /nfs/dbraw/zinc/67/59/77/570675977.db2.gz QSIPNFJIMVYNGQ-QINSGFPZSA-N 0 0 396.965 4.238 10 0 GIAERN Cc1oc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)nc1COc1ccccc1 ZINC000006940955 570714553 /nfs/dbraw/zinc/71/45/53/570714553.db2.gz LVYAGDRYVLCUNI-HXUWFJFHSA-N 0 0 392.455 4.138 10 0 GIAERN Cn1cc(-c2cc3c(-c4ccc(NC(=O)OC(C)(C)C)cc4)ncnn3c2)cn1 ZINC000498050533 570909198 /nfs/dbraw/zinc/90/91/98/570909198.db2.gz LPTFMUKVKFRYGX-UHFFFAOYSA-N 0 0 390.447 4.144 10 0 GIAERN CC[C@@H]1CN(Cc2cc(C)c(I)cc2C)C[C@@H](CC)O1 ZINC000675075933 570910140 /nfs/dbraw/zinc/91/01/40/570910140.db2.gz XGDMUGXZOFSNED-HZPDHXFCSA-N 0 0 387.305 4.297 10 0 GIAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1ccc(Cl)cn1)CC2 ZINC000567148219 570997071 /nfs/dbraw/zinc/99/70/71/570997071.db2.gz IXPHVAOZYJYPMZ-IBGZPJMESA-N 0 0 389.952 4.200 10 0 GIAERN