smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217823335 205941362 /nfs/dbraw/zinc/94/13/62/205941362.db2.gz OFJPUXIEMRDTMG-CQSZACIVSA-N 0 0 395.912 3.385 40 70 GGIBRN Cc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c(C)c1 ZINC000218235921 205944899 /nfs/dbraw/zinc/94/48/99/205944899.db2.gz FZUOWPKRXRRHHG-SFHVURJKSA-N 0 0 388.533 3.207 40 70 GGIBRN CN(c1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O ZINC000218341809 205946807 /nfs/dbraw/zinc/94/68/07/205946807.db2.gz USWZGCJPVVUVJM-MRXNPFEDSA-N 0 0 388.489 3.115 40 70 GGIBRN Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000218353747 205946874 /nfs/dbraw/zinc/94/68/74/205946874.db2.gz SONYLSOONKIVEP-ZWKOTPCHSA-N 0 0 388.533 3.287 40 70 GGIBRN COc1cccc(-c2noc(CNC(=O)c3cc4cccc(OC)c4o3)n2)c1 ZINC000218618733 205948687 /nfs/dbraw/zinc/94/86/87/205948687.db2.gz WCEWFASFADZMNA-UHFFFAOYSA-N 0 0 379.372 3.430 40 70 GGIBRN COc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218753219 205950357 /nfs/dbraw/zinc/95/03/57/205950357.db2.gz ICPORBKODYECQD-LBPRGKRZSA-N 0 0 387.823 3.482 40 70 GGIBRN COc1ccc(/C=C/C(=O)NCc2ccc(OC)c(OC)c2OC)cc1OC ZINC000217922479 205943179 /nfs/dbraw/zinc/94/31/79/205943179.db2.gz QIVWBWPASOPFOC-YRNVUSSQSA-N 0 0 387.432 3.059 40 70 GGIBRN COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)c1 ZINC000217933056 205944350 /nfs/dbraw/zinc/94/43/50/205944350.db2.gz BFBFGDAAPCKYLR-VQHVLOKHSA-N 0 0 393.399 3.146 40 70 GGIBRN Brc1cccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)c1 ZINC000216781029 565896770 /nfs/dbraw/zinc/89/67/70/565896770.db2.gz DTMMVBFINNOTAP-KRWDZBQOSA-N 0 0 389.253 3.213 40 70 GGIBRN O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217820141 565898588 /nfs/dbraw/zinc/89/85/88/565898588.db2.gz DEISYCQGSISPNC-SNVBAGLBSA-N 0 0 387.914 3.305 40 70 GGIBRN CSc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000218450024 565899667 /nfs/dbraw/zinc/89/96/67/565899667.db2.gz RCJDBDBUMQFZIO-GFCCVEGCSA-N 0 0 382.482 3.341 40 70 GGIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccccc2Cl)cc1 ZINC000218638751 565900639 /nfs/dbraw/zinc/90/06/39/565900639.db2.gz GPQBPXDUTQGZDB-UHFFFAOYSA-N 0 0 380.897 3.464 40 70 GGIBRN CCOc1cccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)c1 ZINC000216683855 570304370 /nfs/dbraw/zinc/30/43/70/570304370.db2.gz RDCNKFPBFUGYIC-NRFANRHFSA-N 0 0 394.500 3.499 40 70 GGIBRN COc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)c1 ZINC000216682285 570304411 /nfs/dbraw/zinc/30/44/11/570304411.db2.gz YMVFZIPLDFHZJJ-HXUWFJFHSA-N 0 0 380.473 3.109 40 70 GGIBRN COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000217845871 570322070 /nfs/dbraw/zinc/32/20/70/570322070.db2.gz YJRFQHCPJSRTRX-UHFFFAOYSA-N 0 0 383.404 3.035 40 70 GGIBRN COc1ccc(/C=C/C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000217921017 570322378 /nfs/dbraw/zinc/32/23/78/570322378.db2.gz XSHWOMMBZPYLEO-IZZDOVSWSA-N 0 0 395.415 3.092 40 70 GGIBRN COc1cccc(C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)c1 ZINC000217940844 570322752 /nfs/dbraw/zinc/32/27/52/570322752.db2.gz PMZPJNPYGSIJCK-UHFFFAOYSA-N 0 0 383.404 3.035 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)CSc3ccc(C)cc3)n2)c(OC)c1 ZINC000217978980 570323094 /nfs/dbraw/zinc/32/30/94/570323094.db2.gz FZSHNZMJFCMTJW-UHFFFAOYSA-N 0 0 399.472 3.471 40 70 GGIBRN Cc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218355454 570332339 /nfs/dbraw/zinc/33/23/39/570332339.db2.gz QMXMYGOWTYBRJR-INIZCTEOSA-N 0 0 392.496 3.038 40 70 GGIBRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)CC(C)(C)O2 ZINC000218402546 570333872 /nfs/dbraw/zinc/33/38/72/570333872.db2.gz YXHSOPMWMHFBQW-QGZVFWFLSA-N 0 0 388.489 3.399 40 70 GGIBRN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218455223 570334787 /nfs/dbraw/zinc/33/47/87/570334787.db2.gz KOUYHHNVVSIODG-HZPDHXFCSA-N 0 0 392.496 3.118 40 70 GGIBRN Cc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000218508581 570335952 /nfs/dbraw/zinc/33/59/52/570335952.db2.gz ZNSDOYZNWUWKFC-UHFFFAOYSA-N 0 0 392.908 3.363 40 70 GGIBRN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)CC(C)(C)O2 ZINC000218567715 570336956 /nfs/dbraw/zinc/33/69/56/570336956.db2.gz DYACUNKEHHVCAB-QGZVFWFLSA-N 0 0 388.489 3.399 40 70 GGIBRN COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1 ZINC000218680823 570339051 /nfs/dbraw/zinc/33/90/51/570339051.db2.gz BIJBGLJZIXGPEB-GFCCVEGCSA-N 0 0 387.823 3.482 40 70 GGIBRN COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1 ZINC000218680884 570339079 /nfs/dbraw/zinc/33/90/79/570339079.db2.gz BIJBGLJZIXGPEB-LBPRGKRZSA-N 0 0 387.823 3.482 40 70 GGIBRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218704205 570339256 /nfs/dbraw/zinc/33/92/56/570339256.db2.gz FMMZZRKTDJQLDI-FZKQIMNGSA-N 0 0 379.453 3.264 40 70 GGIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000218756557 570340328 /nfs/dbraw/zinc/34/03/28/570340328.db2.gz FYAUKPOCRPBNOB-KRWDZBQOSA-N 0 0 389.448 3.195 40 70 GGIBRN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(COC)C(N)=S)cc1 ZINC000218564786 570928529 /nfs/dbraw/zinc/92/85/29/570928529.db2.gz VVYIWTJQAODLMA-NSHGMRRFSA-N 0 0 389.542 3.108 40 70 GGIBRN COc1ccc(Sc2ccc(NC(=O)C(=O)NCCn3cccc3)cc2)cc1 ZINC000160132917 570965879 /nfs/dbraw/zinc/96/58/79/570965879.db2.gz OUEZPLDHQDXNKB-UHFFFAOYSA-N 0 0 395.484 3.403 40 70 GGIBRN Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1NS(C)(=O)=O ZINC000159807458 208707616 /nfs/dbraw/zinc/70/76/16/208707616.db2.gz IQAZUKUHAYPYSR-KRWDZBQOSA-N 0 0 388.489 3.399 40 70 GGIBRN CCOc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)c1 ZINC000216686563 208822965 /nfs/dbraw/zinc/82/29/65/208822965.db2.gz SZMFCPDVLRDRBK-LJQANCHMSA-N 0 0 384.461 3.092 40 70 GGIBRN CN(CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 ZINC000217166624 208826253 /nfs/dbraw/zinc/82/62/53/208826253.db2.gz MEUJMBLSXHFDTC-FXBPSFAMSA-N 0 0 389.455 3.303 40 70 GGIBRN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217735733 208830467 /nfs/dbraw/zinc/83/04/67/208830467.db2.gz KBEMHZXRQUVTFF-CHWSQXEVSA-N 0 0 394.258 3.161 40 70 GGIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H]1COc2ccccc2O1 ZINC000218302412 208835175 /nfs/dbraw/zinc/83/51/75/208835175.db2.gz PLRIQVNJCFIILC-MRXNPFEDSA-N 0 0 385.807 3.188 40 70 GGIBRN C[C@H](C(=O)Nc1ccccc1Br)N(c1ccccc1)S(C)(=O)=O ZINC000218282646 208835195 /nfs/dbraw/zinc/83/51/95/208835195.db2.gz ZVKUZPRMKTWRJT-GFCCVEGCSA-N 0 0 397.294 3.242 40 70 GGIBRN CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218696419 208837951 /nfs/dbraw/zinc/83/79/51/208837951.db2.gz RQCIPUWIISOLNM-IBGZPJMESA-N 0 0 375.490 3.353 40 70 GGIBRN CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218723215 208838539 /nfs/dbraw/zinc/83/85/39/208838539.db2.gz HMPGTDIFPUEDNP-LJQANCHMSA-N 0 0 375.490 3.353 40 70 GGIBRN COCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2Br)c1 ZINC000216680293 565896231 /nfs/dbraw/zinc/89/62/31/565896231.db2.gz HJHAZZOEJQPEBO-INIZCTEOSA-N 0 0 381.295 3.460 40 70 GGIBRN CN(c1ccccc1C(=O)NCCCc1ccccc1Cl)S(C)(=O)=O ZINC000218340840 565898488 /nfs/dbraw/zinc/89/84/88/565898488.db2.gz XODIECXLDVWLEO-UHFFFAOYSA-N 0 0 380.897 3.098 40 70 GGIBRN C[C@@H](C(=O)Nc1ccccc1Br)N(c1ccccc1)S(C)(=O)=O ZINC000218282555 565898617 /nfs/dbraw/zinc/89/86/17/565898617.db2.gz ZVKUZPRMKTWRJT-LBPRGKRZSA-N 0 0 397.294 3.242 40 70 GGIBRN Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1NS(C)(=O)=O ZINC000218594641 565899418 /nfs/dbraw/zinc/89/94/18/565899418.db2.gz LIZOKADEIUTCEH-UHFFFAOYSA-N 0 0 380.897 3.383 40 70 GGIBRN CSc1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000218450098 565899577 /nfs/dbraw/zinc/89/95/77/565899577.db2.gz RCJDBDBUMQFZIO-LBPRGKRZSA-N 0 0 382.482 3.341 40 70 GGIBRN Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1NS(C)(=O)=O ZINC000218586631 565899758 /nfs/dbraw/zinc/89/97/58/565899758.db2.gz SOOJQGQJKHIGBE-UHFFFAOYSA-N 0 0 380.897 3.383 40 70 GGIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000218638848 565900830 /nfs/dbraw/zinc/90/08/30/565900830.db2.gz YANCMXGPSHZBJA-UHFFFAOYSA-N 0 0 380.897 3.464 40 70 GGIBRN CCOc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)cc1 ZINC000216685666 570304309 /nfs/dbraw/zinc/30/43/09/570304309.db2.gz JUZVDZGTTRCFJW-LJQANCHMSA-N 0 0 384.461 3.092 40 70 GGIBRN CCOc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)cc1 ZINC000216685618 570304324 /nfs/dbraw/zinc/30/43/24/570304324.db2.gz JUZVDZGTTRCFJW-IBGZPJMESA-N 0 0 384.461 3.092 40 70 GGIBRN CCOc1cccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)c1 ZINC000216686515 570304405 /nfs/dbraw/zinc/30/44/05/570304405.db2.gz SZMFCPDVLRDRBK-IBGZPJMESA-N 0 0 384.461 3.092 40 70 GGIBRN COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000217921483 570322400 /nfs/dbraw/zinc/32/24/00/570322400.db2.gz NCASZLPFEKIZHK-FMIVXFBMSA-N 0 0 379.416 3.426 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)CSc3ccccc3)n2)c(OC)c1 ZINC000217974231 570322996 /nfs/dbraw/zinc/32/29/96/570322996.db2.gz GDGABWAHLBGGDP-UHFFFAOYSA-N 0 0 385.445 3.162 40 70 GGIBRN O=C(CCn1ccc2c1cccc2Cl)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218110402 570325384 /nfs/dbraw/zinc/32/53/84/570325384.db2.gz XJMYPRWUZLEGRG-JKSUJKDBSA-N 0 0 395.890 3.492 40 70 GGIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000218302363 570330836 /nfs/dbraw/zinc/33/08/36/570330836.db2.gz PLRIQVNJCFIILC-INIZCTEOSA-N 0 0 385.807 3.188 40 70 GGIBRN COc1ccc(OC[C@@H](C)NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000218316577 570331285 /nfs/dbraw/zinc/33/12/85/570331285.db2.gz XEKFHSWCSNTZJA-OAHLLOKOSA-N 0 0 390.439 3.392 40 70 GGIBRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000218353669 570332282 /nfs/dbraw/zinc/33/22/82/570332282.db2.gz SONYLSOONKIVEP-ROUUACIJSA-N 0 0 388.533 3.287 40 70 GGIBRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)CC(C)(C)O2 ZINC000218402466 570333591 /nfs/dbraw/zinc/33/35/91/570333591.db2.gz YXHSOPMWMHFBQW-KRWDZBQOSA-N 0 0 388.489 3.399 40 70 GGIBRN CCCOc1ccccc1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000218401800 570333777 /nfs/dbraw/zinc/33/37/77/570333777.db2.gz VCVSMPOMAFQJCD-UHFFFAOYSA-N 0 0 390.505 3.210 40 70 GGIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccccc2Cl)cc1 ZINC000218439403 570334243 /nfs/dbraw/zinc/33/42/43/570334243.db2.gz KQSIPGMEBIQTGX-UHFFFAOYSA-N 0 0 394.924 3.489 40 70 GGIBRN CCc1cccc(C)c1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218451737 570334417 /nfs/dbraw/zinc/33/44/17/570334417.db2.gz PAEGWRSQRZHVDQ-AWEZNQCLSA-N 0 0 378.469 3.490 40 70 GGIBRN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218455365 570334743 /nfs/dbraw/zinc/33/47/43/570334743.db2.gz KOUYHHNVVSIODG-CVEARBPZSA-N 0 0 392.496 3.118 40 70 GGIBRN CCOc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000218596279 570337484 /nfs/dbraw/zinc/33/74/84/570337484.db2.gz IIIUMMGEQYXQCF-UHFFFAOYSA-N 0 0 390.505 3.128 40 70 GGIBRN CCOc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000218640449 570338338 /nfs/dbraw/zinc/33/83/38/570338338.db2.gz YUZCMWIJEYZQMS-UHFFFAOYSA-N 0 0 390.505 3.210 40 70 GGIBRN CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218690104 570339336 /nfs/dbraw/zinc/33/93/36/570339336.db2.gz DJXJSBZGLHFQPE-BEFAXECRSA-N 0 0 375.490 3.433 40 70 GGIBRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218704267 570339365 /nfs/dbraw/zinc/33/93/65/570339365.db2.gz FMMZZRKTDJQLDI-ACJLOTCBSA-N 0 0 379.453 3.264 40 70 GGIBRN COc1cccc(-c2noc(CN(C)C(=O)COc3ccc(C)c(C)c3)n2)c1 ZINC000218723807 570339652 /nfs/dbraw/zinc/33/96/52/570339652.db2.gz METKQZSDJFHEFO-UHFFFAOYSA-N 0 0 381.432 3.399 40 70 GGIBRN COc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218753266 570340269 /nfs/dbraw/zinc/34/02/69/570340269.db2.gz ICPORBKODYECQD-GFCCVEGCSA-N 0 0 387.823 3.482 40 70 GGIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 ZINC000218759879 570340714 /nfs/dbraw/zinc/34/07/14/570340714.db2.gz RIPYQSKNNMWHES-GOSISDBHSA-N 0 0 397.431 3.228 40 70 GGIBRN Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1NS(C)(=O)=O ZINC000159807311 570711652 /nfs/dbraw/zinc/71/16/52/570711652.db2.gz IQAZUKUHAYPYSR-QGZVFWFLSA-N 0 0 388.489 3.399 40 70 GGIBRN COC[C@@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218481413 570903526 /nfs/dbraw/zinc/90/35/26/570903526.db2.gz YBWPARURZLVMGE-CMKODMSKSA-N 0 0 389.542 3.162 40 70 GGIBRN COC[C@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218481189 570903597 /nfs/dbraw/zinc/90/35/97/570903597.db2.gz YBWPARURZLVMGE-HBFSDRIKSA-N 0 0 389.542 3.162 40 70 GGIBRN COC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218481345 570903618 /nfs/dbraw/zinc/90/36/18/570903618.db2.gz YBWPARURZLVMGE-BJLQDIEVSA-N 0 0 389.542 3.162 40 70 GGIBRN CCOC[C@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218508888 570923813 /nfs/dbraw/zinc/92/38/13/570923813.db2.gz BSWHORNKXWHJMI-HBFSDRIKSA-N 0 0 389.542 3.244 40 70 GGIBRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218509129 570923997 /nfs/dbraw/zinc/92/39/97/570923997.db2.gz BSWHORNKXWHJMI-CMKODMSKSA-N 0 0 389.542 3.244 40 70 GGIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 ZINC000218759918 211762502 /nfs/dbraw/zinc/76/25/02/211762502.db2.gz RIPYQSKNNMWHES-SFHVURJKSA-N 0 0 397.431 3.228 40 70 GGIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCc1ccc(Cl)cc1 ZINC000218577395 211760657 /nfs/dbraw/zinc/76/06/57/211760657.db2.gz WSIVZJGHNOXURE-UHFFFAOYSA-N 0 0 380.897 3.383 40 70 GGIBRN COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)cc1 ZINC000217933150 211754753 /nfs/dbraw/zinc/75/47/53/211754753.db2.gz KEERELMCGVJNJM-ONNFQVAWSA-N 0 0 393.399 3.146 40 70 GGIBRN CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217833224 211753891 /nfs/dbraw/zinc/75/38/91/211753891.db2.gz ALMFVGWHSRPECV-KRWDZBQOSA-N 0 0 381.881 3.390 40 70 GGIBRN Cc1cc(O[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)C2)cc(=O)n1C ZINC000217772352 211753078 /nfs/dbraw/zinc/75/30/78/211753078.db2.gz UFXPEDGVQJLLHU-OAHLLOKOSA-N 0 0 386.448 3.341 40 70 GGIBRN FC(F)(F)c1cccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)c1 ZINC000216781191 211745349 /nfs/dbraw/zinc/74/53/49/211745349.db2.gz ATYWKZXNKNBLMO-QGZVFWFLSA-N 0 0 378.354 3.469 40 70 GGIBRN COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2Br)c1 ZINC000216680247 211745409 /nfs/dbraw/zinc/74/54/09/211745409.db2.gz HJHAZZOEJQPEBO-MRXNPFEDSA-N 0 0 381.295 3.460 40 70 GGIBRN O=C(Nc1cccc(CN2CCOCC2)c1)c1cnn(-c2ccc(F)cc2F)c1 ZINC000161003600 211341687 /nfs/dbraw/zinc/34/16/87/211341687.db2.gz MHAGWFDUPCJPDU-UHFFFAOYSA-N 0 0 398.413 3.235 40 70 GGIBRN COc1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1Cl ZINC000216852331 136203169 /nfs/dbraw/zinc/20/31/69/136203169.db2.gz MMBRSVKGCJATIQ-UHFFFAOYSA-N 0 0 379.917 3.356 40 70 GGIBRN COc1cc(C(=O)NCCCN2CCCc3ccccc32)cc(OC)c1OC ZINC000218130535 136203507 /nfs/dbraw/zinc/20/35/07/136203507.db2.gz KMBZDMNGUCXSNO-UHFFFAOYSA-N 0 0 384.476 3.285 40 70 GGIBRN COCCN1C(=O)CS[C@H]1c1ccn(-c2cccc(Br)c2)c1 ZINC000216679171 565895883 /nfs/dbraw/zinc/89/58/83/565895883.db2.gz BYSCVWMORJJOML-INIZCTEOSA-N 0 0 381.295 3.460 40 70 GGIBRN COCCN1C(=O)CS[C@@H]1c1ccn(-c2cccc(Br)c2)c1 ZINC000216679130 565896075 /nfs/dbraw/zinc/89/60/75/565896075.db2.gz BYSCVWMORJJOML-MRXNPFEDSA-N 0 0 381.295 3.460 40 70 GGIBRN CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217833128 565898521 /nfs/dbraw/zinc/89/85/21/565898521.db2.gz ALMFVGWHSRPECV-QGZVFWFLSA-N 0 0 381.881 3.390 40 70 GGIBRN O=C(c1cncc(Br)c1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217806494 565898789 /nfs/dbraw/zinc/89/87/89/565898789.db2.gz VOUYCCHAVYNWDG-LLVKDONJSA-N 0 0 391.269 3.199 40 70 GGIBRN Cc1cc(C(=O)NCCCc2ccccc2Cl)ccc1NS(C)(=O)=O ZINC000218594549 565899613 /nfs/dbraw/zinc/89/96/13/565899613.db2.gz VTSPOWAGCVPIHM-UHFFFAOYSA-N 0 0 380.897 3.383 40 70 GGIBRN C[C@@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000218466771 565899773 /nfs/dbraw/zinc/89/97/73/565899773.db2.gz ZNYXCLQBTFQLEL-KGLIPLIRSA-N 0 0 380.897 3.372 40 70 GGIBRN C[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000218466843 565899819 /nfs/dbraw/zinc/89/98/19/565899819.db2.gz ZNYXCLQBTFQLEL-ZIAGYGMSSA-N 0 0 380.897 3.372 40 70 GGIBRN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218450217 565899877 /nfs/dbraw/zinc/89/98/77/565899877.db2.gz BTPYJAQHUXAAFR-JTQLQIEISA-N 0 0 388.823 3.411 40 70 GGIBRN CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(C(=O)OC)cc3)nn2)cc1 ZINC000216769344 570305988 /nfs/dbraw/zinc/30/59/88/570305988.db2.gz NBJSXYLHCZZYAA-OAQYLSRUSA-N 0 0 392.459 3.211 40 70 GGIBRN COc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3)n2)c1 ZINC000217926341 570322779 /nfs/dbraw/zinc/32/27/79/570322779.db2.gz AFOIIJHPDULIKQ-CSKARUKUSA-N 0 0 395.415 3.092 40 70 GGIBRN COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3OC)n2)c1 ZINC000217969484 570323111 /nfs/dbraw/zinc/32/31/11/570323111.db2.gz BMAZQNZCAYCZPI-VAWYXSNFSA-N 0 0 379.416 3.426 40 70 GGIBRN O=C(Cn1ccc2c1cccc2Cl)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217976822 570323165 /nfs/dbraw/zinc/32/31/65/570323165.db2.gz RLGZRSTXFWOOBB-LSDHHAIUSA-N 0 0 381.863 3.102 40 70 GGIBRN COc1cccc(CCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000218185586 570327137 /nfs/dbraw/zinc/32/71/37/570327137.db2.gz SYLHRNRBHROPOK-ACCUITESSA-N 0 0 385.460 3.483 40 70 GGIBRN COc1cccc(-c2noc(CN(C)C(=O)c3cc(OC)cc(OC)c3)n2)c1 ZINC000218177004 570327262 /nfs/dbraw/zinc/32/72/62/570327262.db2.gz QGLKBYXXEHVMSX-UHFFFAOYSA-N 0 0 383.404 3.035 40 70 GGIBRN Cc1ccc(C)c(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 ZINC000218238112 570328755 /nfs/dbraw/zinc/32/87/55/570328755.db2.gz GGIHGNHLHTYMFJ-UHFFFAOYSA-N 0 0 390.505 3.495 40 70 GGIBRN Cc1cc(C)cc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000218240505 570328843 /nfs/dbraw/zinc/32/88/43/570328843.db2.gz HBCGPSNXKBMGDE-UHFFFAOYSA-N 0 0 390.505 3.495 40 70 GGIBRN C[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000218284521 570329824 /nfs/dbraw/zinc/32/98/24/570329824.db2.gz REGOWUKXDDUNGS-OAHLLOKOSA-N 0 0 394.924 3.244 40 70 GGIBRN Cc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218355540 570332471 /nfs/dbraw/zinc/33/24/71/570332471.db2.gz QMXMYGOWTYBRJR-MRXNPFEDSA-N 0 0 392.496 3.038 40 70 GGIBRN CC(C)Oc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000218453667 570334896 /nfs/dbraw/zinc/33/48/96/570334896.db2.gz ULDBCLRYGJCITH-CQSZACIVSA-N 0 0 394.468 3.406 40 70 GGIBRN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218455149 570334909 /nfs/dbraw/zinc/33/49/09/570334909.db2.gz KOUYHHNVVSIODG-JKSUJKDBSA-N 0 0 392.496 3.118 40 70 GGIBRN Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1NS(C)(=O)=O ZINC000218596084 570337308 /nfs/dbraw/zinc/33/73/08/570337308.db2.gz VTFMLFXORXZJFV-QGZVFWFLSA-N 0 0 388.489 3.399 40 70 GGIBRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218704350 570339288 /nfs/dbraw/zinc/33/92/88/570339288.db2.gz FMMZZRKTDJQLDI-SCLBCKFNSA-N 0 0 379.453 3.264 40 70 GGIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(F)cc3)n2)cc1 ZINC000218706803 570339330 /nfs/dbraw/zinc/33/93/30/570339330.db2.gz XDCJTWAIHQXDHY-ZDUSSCGKSA-N 0 0 385.395 3.310 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(C)c3)n2)c(OC)c1 ZINC000218690575 570339417 /nfs/dbraw/zinc/33/94/17/570339417.db2.gz SHDLDOAJAQGCNA-AWEZNQCLSA-N 0 0 397.431 3.146 40 70 GGIBRN COc1ccc(OCCCC(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000218742518 570339961 /nfs/dbraw/zinc/33/99/61/570339961.db2.gz SMEPBUVWNLORAW-UHFFFAOYSA-N 0 0 397.431 3.229 40 70 GGIBRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218752855 570340416 /nfs/dbraw/zinc/34/04/16/570340416.db2.gz WUCQQFQWUSNHLP-IFXJQAMLSA-N 0 0 391.489 3.134 40 70 GGIBRN Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1C ZINC000218771591 570340744 /nfs/dbraw/zinc/34/07/44/570340744.db2.gz RVNGALAZTOQKMK-MRXNPFEDSA-N 0 0 389.521 3.037 40 70 GGIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000218759812 570340799 /nfs/dbraw/zinc/34/07/99/570340799.db2.gz BIPGIEYDVGHIJF-SFHVURJKSA-N 0 0 397.431 3.228 40 70 GGIBRN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000216839927 570942633 /nfs/dbraw/zinc/94/26/33/570942633.db2.gz OLUBLGKZPFGNKW-HZPDHXFCSA-N 0 0 386.517 3.148 40 70 GGIBRN COc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccccc2)nn1 ZINC000216682692 222577607 /nfs/dbraw/zinc/57/76/07/222577607.db2.gz AVESLPHGFRMHPO-FQEVSTJZSA-N 0 0 380.473 3.109 40 70 GGIBRN O=C(/C=C/c1ccc2c(c1)OCO2)NCc1nc(-c2ccccc2Cl)no1 ZINC000217932263 222583104 /nfs/dbraw/zinc/58/31/04/222583104.db2.gz SPQSBXXXLOIECQ-SOFGYWHQSA-N 0 0 383.791 3.448 40 70 GGIBRN COc1ccc(CSCC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000218113968 222585622 /nfs/dbraw/zinc/58/56/22/222585622.db2.gz KZIUSMPUDWTBDI-UHFFFAOYSA-N 0 0 391.489 3.271 40 70 GGIBRN CC(C)c1ccc(CCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218227766 222585734 /nfs/dbraw/zinc/58/57/34/222585734.db2.gz LUEMNBKKGUWBRS-UHFFFAOYSA-N 0 0 388.533 3.325 40 70 GGIBRN COc1ccc(CSCC(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000218117245 222585938 /nfs/dbraw/zinc/58/59/38/222585938.db2.gz MMIRKVYRAHIJIE-UHFFFAOYSA-N 0 0 399.472 3.303 40 70 GGIBRN Cc1cccc(-c2noc(CNC(=O)CN3c4cccc5cccc(c45)C3=O)n2)c1 ZINC000218320207 222587627 /nfs/dbraw/zinc/58/76/27/222587627.db2.gz OUFKFLNXJCJOPT-UHFFFAOYSA-N 0 0 398.422 3.475 40 70 GGIBRN CC(C)Oc1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000218453732 222587856 /nfs/dbraw/zinc/58/78/56/222587856.db2.gz ULDBCLRYGJCITH-AWEZNQCLSA-N 0 0 394.468 3.406 40 70 GGIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000218402739 222587917 /nfs/dbraw/zinc/58/79/17/222587917.db2.gz UVGOPBJBBNIWIC-QGZVFWFLSA-N 0 0 388.489 3.399 40 70 GGIBRN O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccc(Cl)cc1Cl ZINC000217559246 565897217 /nfs/dbraw/zinc/89/72/17/565897217.db2.gz CDXCCFHMOSTCAV-QWHCGFSZSA-N 0 0 377.271 3.457 40 70 GGIBRN COc1ccc(CSCC(=O)NCc2nc(-c3cccs3)no2)cc1 ZINC000218117738 565898413 /nfs/dbraw/zinc/89/84/13/565898413.db2.gz SREJPPUAKAYPPG-UHFFFAOYSA-N 0 0 375.475 3.356 40 70 GGIBRN O=C(c1cncc(Br)c1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217806579 565898651 /nfs/dbraw/zinc/89/86/51/565898651.db2.gz VOUYCCHAVYNWDG-NSHDSACASA-N 0 0 391.269 3.199 40 70 GGIBRN COc1ccc(Br)c(C(=O)Nc2cnn(CC3CCOCC3)c2)c1 ZINC000218200685 565898743 /nfs/dbraw/zinc/89/87/43/565898743.db2.gz YBJNLNNDTAIEHH-UHFFFAOYSA-N 0 0 394.269 3.333 40 70 GGIBRN COc1cccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)c1 ZINC000216682238 570304356 /nfs/dbraw/zinc/30/43/56/570304356.db2.gz YMVFZIPLDFHZJJ-FQEVSTJZSA-N 0 0 380.473 3.109 40 70 GGIBRN CCOc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1 ZINC000216682961 570304395 /nfs/dbraw/zinc/30/43/95/570304395.db2.gz CXPWDPLBTHTHBO-OAQYLSRUSA-N 0 0 394.500 3.499 40 70 GGIBRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(Cl)cc1 ZINC000217450403 570316168 /nfs/dbraw/zinc/31/61/68/570316168.db2.gz LSGCURXUUXADFZ-YRXWBPOGSA-N 0 0 394.858 3.175 40 70 GGIBRN COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000217921606 570322827 /nfs/dbraw/zinc/32/28/27/570322827.db2.gz JFLVIDITIWOWJZ-AWNIVKPZSA-N 0 0 379.416 3.426 40 70 GGIBRN O=C(/C=C/c1ccc2c(c1)OCO2)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000217932369 570322830 /nfs/dbraw/zinc/32/28/30/570322830.db2.gz SHOZMRMTMKOWIN-KRXBUXKQSA-N 0 0 383.791 3.448 40 70 GGIBRN Cc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)c1 ZINC000217932842 570322839 /nfs/dbraw/zinc/32/28/39/570322839.db2.gz FBLHXKBTQNIJLX-VQHVLOKHSA-N 0 0 377.400 3.446 40 70 GGIBRN COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3OC)n2)cc1 ZINC000217969578 570323022 /nfs/dbraw/zinc/32/30/22/570323022.db2.gz FVGZJWAGBWSQPK-JLHYYAGUSA-N 0 0 379.416 3.426 40 70 GGIBRN O=C(Cc1csc(-c2ccccc2)n1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217985715 570323384 /nfs/dbraw/zinc/32/33/84/570323384.db2.gz XFZQGXHTMPFFEZ-DOTOQJQBSA-N 0 0 391.496 3.160 40 70 GGIBRN Cn1cc(CCCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000218018183 570324129 /nfs/dbraw/zinc/32/41/29/570324129.db2.gz MSOGULARURXFJD-PKOBYXMFSA-N 0 0 389.499 3.309 40 70 GGIBRN COc1ccc(CCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000218185710 570327136 /nfs/dbraw/zinc/32/71/36/570327136.db2.gz ITLXQFIAPNUABR-GXDHUFHOSA-N 0 0 385.460 3.483 40 70 GGIBRN COc1ccc(/C=C/C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000218191496 570327542 /nfs/dbraw/zinc/32/75/42/570327542.db2.gz JQSHUCOHWMAKCI-WYMLVPIESA-N 0 0 384.476 3.368 40 70 GGIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@H]1COc2ccccc2O1 ZINC000218302305 570330856 /nfs/dbraw/zinc/33/08/56/570330856.db2.gz XOYNPTKYSMYNEM-MRXNPFEDSA-N 0 0 385.807 3.188 40 70 GGIBRN COc1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(OC)cc1Cl ZINC000218332137 570331619 /nfs/dbraw/zinc/33/16/19/570331619.db2.gz RUYJYLIHBNGDFD-UHFFFAOYSA-N 0 0 398.868 3.005 40 70 GGIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000218402649 570333799 /nfs/dbraw/zinc/33/37/99/570333799.db2.gz UVGOPBJBBNIWIC-KRWDZBQOSA-N 0 0 388.489 3.399 40 70 GGIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000218439497 570334229 /nfs/dbraw/zinc/33/42/29/570334229.db2.gz ISOFJRGMVLHAAH-UHFFFAOYSA-N 0 0 394.924 3.489 40 70 GGIBRN CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218451649 570334548 /nfs/dbraw/zinc/33/45/48/570334548.db2.gz PAEGWRSQRZHVDQ-CQSZACIVSA-N 0 0 378.469 3.490 40 70 GGIBRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C ZINC000218461862 570334775 /nfs/dbraw/zinc/33/47/75/570334775.db2.gz ZHAWWZBWQJQRSB-JKSUJKDBSA-N 0 0 392.496 3.474 40 70 GGIBRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C ZINC000218461950 570334932 /nfs/dbraw/zinc/33/49/32/570334932.db2.gz ZHAWWZBWQJQRSB-CVEARBPZSA-N 0 0 392.496 3.474 40 70 GGIBRN Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1NS(C)(=O)=O ZINC000218596164 570337328 /nfs/dbraw/zinc/33/73/28/570337328.db2.gz VTFMLFXORXZJFV-KRWDZBQOSA-N 0 0 388.489 3.399 40 70 GGIBRN CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218690214 570339235 /nfs/dbraw/zinc/33/92/35/570339235.db2.gz DJXJSBZGLHFQPE-KXBFYZLASA-N 0 0 375.490 3.433 40 70 GGIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(F)cc3)n2)cc1 ZINC000218706724 570339263 /nfs/dbraw/zinc/33/92/63/570339263.db2.gz XDCJTWAIHQXDHY-CYBMUJFWSA-N 0 0 385.395 3.310 40 70 GGIBRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218752902 570340402 /nfs/dbraw/zinc/34/04/02/570340402.db2.gz WUCQQFQWUSNHLP-LIRRHRJNSA-N 0 0 391.489 3.134 40 70 GGIBRN COC[C@@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218481277 570903655 /nfs/dbraw/zinc/90/36/55/570903655.db2.gz YBWPARURZLVMGE-WSTZPKSXSA-N 0 0 389.542 3.162 40 70 GGIBRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218509040 570924027 /nfs/dbraw/zinc/92/40/27/570924027.db2.gz BSWHORNKXWHJMI-BJLQDIEVSA-N 0 0 389.542 3.244 40 70 GGIBRN CCOc1ccc(NC(=O)[C@@]23C[C@H]4C[C@@H](C2)C[C@](n2nnc(C)n2)(C4)C3)cc1 ZINC000217543594 205937880 /nfs/dbraw/zinc/93/78/80/205937880.db2.gz VJOJATKERDCAGV-IFCLKOLQSA-N 0 0 381.480 3.314 40 70 GGIBRN COc1ccc(/C=C/C(=O)NCc2nc(-c3ccccc3)no2)c(OC)c1OC ZINC000218189595 205945517 /nfs/dbraw/zinc/94/55/17/205945517.db2.gz FSPVEUPZYDOYFP-ZRDIBKRKSA-N 0 0 395.415 3.092 40 70 GGIBRN CCc1ccccc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000218245036 205945563 /nfs/dbraw/zinc/94/55/63/205945563.db2.gz LCPZPVZNLAWJCL-KRWDZBQOSA-N 0 0 388.533 3.153 40 70 GGIBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000218640272 205949309 /nfs/dbraw/zinc/94/93/09/205949309.db2.gz VIRRQPYAHJKDEC-QGZVFWFLSA-N 0 0 388.489 3.480 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(C)c3)n2)c(OC)c1 ZINC000218690507 205949524 /nfs/dbraw/zinc/94/95/24/205949524.db2.gz SHDLDOAJAQGCNA-CQSZACIVSA-N 0 0 397.431 3.146 40 70 GGIBRN CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218696343 205949617 /nfs/dbraw/zinc/94/96/17/205949617.db2.gz RQCIPUWIISOLNM-LJQANCHMSA-N 0 0 375.490 3.353 40 70 GGIBRN COc1ccc(CCNC(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1 ZINC000217818041 205942635 /nfs/dbraw/zinc/94/26/35/205942635.db2.gz LXNZRXNYHWWOQU-INIZCTEOSA-N 0 0 384.480 3.162 40 70 GGIBRN CC(C)OCCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000216890967 136203106 /nfs/dbraw/zinc/20/31/06/136203106.db2.gz KKHXVRCAVKMYPL-UHFFFAOYSA-N 0 0 388.489 3.037 40 70 GGIBRN O=C(c1ccc(-c2cccs2)cc1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217611539 136203364 /nfs/dbraw/zinc/20/33/64/136203364.db2.gz CRMXTRRLSABKME-UHFFFAOYSA-N 0 0 392.484 3.198 40 70 GGIBRN O=C(NCCCN1CCCc2ccccc21)c1ccc(CN2CCOCC2)cc1 ZINC000218077857 136203514 /nfs/dbraw/zinc/20/35/14/136203514.db2.gz LEOOEHSIYMSXCD-UHFFFAOYSA-N 0 0 393.531 3.092 40 70 GGIBRN O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217666830 565897356 /nfs/dbraw/zinc/89/73/56/565897356.db2.gz CIHLLTCDGLWNCB-CYBMUJFWSA-N 0 0 394.909 3.296 40 70 GGIBRN CN(c1ccc(C(=O)NCCCc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000218333204 565898733 /nfs/dbraw/zinc/89/87/33/565898733.db2.gz SFMZGKIVSKEKRK-UHFFFAOYSA-N 0 0 380.897 3.098 40 70 GGIBRN CN(c1ccccc1C(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000218340956 565898771 /nfs/dbraw/zinc/89/87/71/565898771.db2.gz BDQCZVSPLPCGTC-UHFFFAOYSA-N 0 0 380.897 3.098 40 70 GGIBRN COc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1 ZINC000216682807 570304316 /nfs/dbraw/zinc/30/43/16/570304316.db2.gz SSVYDOLRDLCYES-FQEVSTJZSA-N 0 0 380.473 3.109 40 70 GGIBRN FC(F)(F)c1cccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)c1 ZINC000216781143 570306239 /nfs/dbraw/zinc/30/62/39/570306239.db2.gz ATYWKZXNKNBLMO-KRWDZBQOSA-N 0 0 378.354 3.469 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)c3ccccc3SC)n2)c(OC)c1 ZINC000218194315 570327533 /nfs/dbraw/zinc/32/75/33/570327533.db2.gz XOBUAUWETZLNGZ-UHFFFAOYSA-N 0 0 385.445 3.406 40 70 GGIBRN C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000218284467 570329734 /nfs/dbraw/zinc/32/97/34/570329734.db2.gz REGOWUKXDDUNGS-HNNXBMFYSA-N 0 0 394.924 3.244 40 70 GGIBRN C[C@H](C(=O)NCCCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000218284394 570329799 /nfs/dbraw/zinc/32/97/99/570329799.db2.gz APIXYIJUUCGUTP-OAHLLOKOSA-N 0 0 394.924 3.244 40 70 GGIBRN Cc1ccc(-c2noc(CNC(=O)CN3c4cccc5cccc(c45)C3=O)n2)cc1 ZINC000218320313 570331132 /nfs/dbraw/zinc/33/11/32/570331132.db2.gz HLLIYDMIGNZYPH-UHFFFAOYSA-N 0 0 398.422 3.475 40 70 GGIBRN CN(c1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1)S(C)(=O)=O ZINC000218334834 570331476 /nfs/dbraw/zinc/33/14/76/570331476.db2.gz NXWXSPPGRUOJOW-KRWDZBQOSA-N 0 0 388.489 3.115 40 70 GGIBRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C ZINC000218461779 570334845 /nfs/dbraw/zinc/33/48/45/570334845.db2.gz ZHAWWZBWQJQRSB-HZPDHXFCSA-N 0 0 392.496 3.474 40 70 GGIBRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)CC(C)(C)O2 ZINC000218567657 570336913 /nfs/dbraw/zinc/33/69/13/570336913.db2.gz DYACUNKEHHVCAB-KRWDZBQOSA-N 0 0 388.489 3.399 40 70 GGIBRN CC(C)Oc1cccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000218567058 570336963 /nfs/dbraw/zinc/33/69/63/570336963.db2.gz FPRWVOBWVLGIST-UHFFFAOYSA-N 0 0 390.505 3.208 40 70 GGIBRN CCCOc1ccccc1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000218567297 570336969 /nfs/dbraw/zinc/33/69/69/570336969.db2.gz JOSWBNCMDJHPAG-UHFFFAOYSA-N 0 0 390.505 3.210 40 70 GGIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000218578697 570337166 /nfs/dbraw/zinc/33/71/66/570337166.db2.gz GMWHWYVGTLGQFR-QGZVFWFLSA-N 0 0 388.489 3.399 40 70 GGIBRN CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218723282 570339727 /nfs/dbraw/zinc/33/97/27/570339727.db2.gz HMPGTDIFPUEDNP-IBGZPJMESA-N 0 0 375.490 3.353 40 70 GGIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000218756516 570340380 /nfs/dbraw/zinc/34/03/80/570340380.db2.gz FYAUKPOCRPBNOB-QGZVFWFLSA-N 0 0 389.448 3.195 40 70 GGIBRN CCOC[C@@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218508965 570923895 /nfs/dbraw/zinc/92/38/95/570923895.db2.gz BSWHORNKXWHJMI-WSTZPKSXSA-N 0 0 389.542 3.244 40 70 GGIBRN Cc1cc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)nn1-c1ccc(F)cc1F ZINC000159437030 206304980 /nfs/dbraw/zinc/30/49/80/206304980.db2.gz OBKXCMPJLWWPQF-UHFFFAOYSA-N 0 0 398.348 3.431 40 70 GGIBRN COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3C)n2)c(OC)c1 ZINC000217828948 208831574 /nfs/dbraw/zinc/83/15/74/208831574.db2.gz KAGUYFGGWLQERI-UHFFFAOYSA-N 0 0 397.431 3.100 40 70 GGIBRN CCc1ccccc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000218245104 208834199 /nfs/dbraw/zinc/83/41/99/208834199.db2.gz LCPZPVZNLAWJCL-QGZVFWFLSA-N 0 0 388.533 3.153 40 70 GGIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000218302243 208835427 /nfs/dbraw/zinc/83/54/27/208835427.db2.gz XOYNPTKYSMYNEM-INIZCTEOSA-N 0 0 385.807 3.188 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(C)cc3)n2)c(OC)c1 ZINC000218181774 208835433 /nfs/dbraw/zinc/83/54/33/208835433.db2.gz DUWMOEIZXFZTHE-DHZHZOJOSA-N 0 0 379.416 3.392 40 70 GGIBRN CN(c1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1)S(C)(=O)=O ZINC000218334753 208836051 /nfs/dbraw/zinc/83/60/51/208836051.db2.gz NXWXSPPGRUOJOW-QGZVFWFLSA-N 0 0 388.489 3.115 40 70 GGIBRN O=C(CN1C(=O)c2cccc3cccc1c23)NCc1nc(-c2cccs2)no1 ZINC000218320955 208836762 /nfs/dbraw/zinc/83/67/62/208836762.db2.gz WZZOLRHIGNWZPC-UHFFFAOYSA-N 0 0 390.424 3.228 40 70 GGIBRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218752821 208838017 /nfs/dbraw/zinc/83/80/17/208838017.db2.gz WUCQQFQWUSNHLP-KUHUBIRLSA-N 0 0 391.489 3.134 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)Cc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000218531261 208838170 /nfs/dbraw/zinc/83/81/70/208838170.db2.gz DGDPTVZQVJPKFH-UHFFFAOYSA-N 0 0 387.823 3.266 40 70 GGIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC ZINC000218754645 208838312 /nfs/dbraw/zinc/83/83/12/208838312.db2.gz NDYDDAGETCHJLO-QGZVFWFLSA-N 0 0 389.448 3.195 40 70 GGIBRN Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1C ZINC000218771672 208839988 /nfs/dbraw/zinc/83/99/88/208839988.db2.gz RVNGALAZTOQKMK-INIZCTEOSA-N 0 0 389.521 3.037 40 70 GGIBRN CSc1nc(Nc2ccc(Br)cc2)cc(N2CCN(C)CC2)n1 ZINC000216851307 136203144 /nfs/dbraw/zinc/20/31/44/136203144.db2.gz NHUGIXAUQAXCSL-UHFFFAOYSA-N 0 0 394.342 3.456 40 70 GGIBRN CCCCOC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1 ZINC000216850477 136203235 /nfs/dbraw/zinc/20/32/35/136203235.db2.gz OKCVRGHBRFEFOO-UHFFFAOYSA-N 0 0 383.496 3.237 40 70 GGIBRN Brc1cccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)c1 ZINC000216781076 565897130 /nfs/dbraw/zinc/89/71/30/565897130.db2.gz DTMMVBFINNOTAP-QGZVFWFLSA-N 0 0 389.253 3.213 40 70 GGIBRN CN(c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000218333322 565898553 /nfs/dbraw/zinc/89/85/53/565898553.db2.gz PLTXUYXAZKHCQU-UHFFFAOYSA-N 0 0 380.897 3.098 40 70 GGIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCc1ccccc1Cl ZINC000218577290 565899866 /nfs/dbraw/zinc/89/98/66/565899866.db2.gz WTDBNHFHAFIZQP-UHFFFAOYSA-N 0 0 380.897 3.383 40 70 GGIBRN CCOc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccccc2)nn1 ZINC000216683792 570304282 /nfs/dbraw/zinc/30/42/82/570304282.db2.gz WANOOOKHMBLYGC-OAQYLSRUSA-N 0 0 394.500 3.499 40 70 GGIBRN CCOc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccco2)nn1 ZINC000216686403 570304346 /nfs/dbraw/zinc/30/43/46/570304346.db2.gz XFVHMRSGBBKYEI-IBGZPJMESA-N 0 0 384.461 3.092 40 70 GGIBRN CCOc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccccc2)nn1 ZINC000216683735 570304400 /nfs/dbraw/zinc/30/44/00/570304400.db2.gz WANOOOKHMBLYGC-NRFANRHFSA-N 0 0 394.500 3.499 40 70 GGIBRN CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(=O)OC)c3)nn2)cc1 ZINC000216769231 570305922 /nfs/dbraw/zinc/30/59/22/570305922.db2.gz LTYFYQBOBXOLHL-OAQYLSRUSA-N 0 0 392.459 3.211 40 70 GGIBRN CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C(=O)OC)c3)nn2)cc1 ZINC000216769271 570306016 /nfs/dbraw/zinc/30/60/16/570306016.db2.gz LTYFYQBOBXOLHL-NRFANRHFSA-N 0 0 392.459 3.211 40 70 GGIBRN CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C ZINC000216842882 570308189 /nfs/dbraw/zinc/30/81/89/570308189.db2.gz QYCRGPUHWVPGRK-UHFFFAOYSA-N 0 0 381.476 3.034 40 70 GGIBRN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1C ZINC000217478608 570316527 /nfs/dbraw/zinc/31/65/27/570316527.db2.gz ZHQNWZMABXGLTE-MXEMCNAFSA-N 0 0 388.467 3.139 40 70 GGIBRN CCc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1 ZINC000217574489 570318431 /nfs/dbraw/zinc/31/84/31/570318431.db2.gz BRHTWTJGFOAPDG-CGXNFDGLSA-N 0 0 388.467 3.084 40 70 GGIBRN Cc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c(C)c1 ZINC000218235987 570328651 /nfs/dbraw/zinc/32/86/51/570328651.db2.gz FZUOWPKRXRRHHG-GOSISDBHSA-N 0 0 388.533 3.207 40 70 GGIBRN CC(C)Oc1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218283059 570329899 /nfs/dbraw/zinc/32/98/99/570329899.db2.gz LADKREYEKKUUDS-HNNXBMFYSA-N 0 0 376.478 3.267 40 70 GGIBRN COc1ccc(OC[C@H](C)NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000218316659 570331223 /nfs/dbraw/zinc/33/12/23/570331223.db2.gz XEKFHSWCSNTZJA-HNNXBMFYSA-N 0 0 390.439 3.392 40 70 GGIBRN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218455297 570334842 /nfs/dbraw/zinc/33/48/42/570334842.db2.gz KOUYHHNVVSIODG-HOTGVXAUSA-N 0 0 392.496 3.118 40 70 GGIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000218567901 570336928 /nfs/dbraw/zinc/33/69/28/570336928.db2.gz KAKMXWFOECBGTM-QGZVFWFLSA-N 0 0 388.489 3.399 40 70 GGIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000218578748 570337017 /nfs/dbraw/zinc/33/70/17/570337017.db2.gz GMWHWYVGTLGQFR-KRWDZBQOSA-N 0 0 388.489 3.399 40 70 GGIBRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218704427 570339315 /nfs/dbraw/zinc/33/93/15/570339315.db2.gz FMMZZRKTDJQLDI-UGSOOPFHSA-N 0 0 379.453 3.264 40 70 GGIBRN COc1cccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3)n2)c1 ZINC000218696833 570339373 /nfs/dbraw/zinc/33/93/73/570339373.db2.gz WCPHOZAAXOXHOB-UHFFFAOYSA-N 0 0 381.432 3.399 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)COc3ccc(C)c(C)c3)n2)c(OC)c1 ZINC000218723514 570339698 /nfs/dbraw/zinc/33/96/98/570339698.db2.gz MMSJOLTWVCASQF-UHFFFAOYSA-N 0 0 397.431 3.066 40 70 GGIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC ZINC000218754694 570340352 /nfs/dbraw/zinc/34/03/52/570340352.db2.gz NDYDDAGETCHJLO-KRWDZBQOSA-N 0 0 389.448 3.195 40 70 GGIBRN CCN(c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000218777636 570341042 /nfs/dbraw/zinc/34/10/42/570341042.db2.gz MSAYEUFZTAASIU-UHFFFAOYSA-N 0 0 394.924 3.489 40 70 GGIBRN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(COC)C(N)=S)cc1 ZINC000218564701 570928490 /nfs/dbraw/zinc/92/84/90/570928490.db2.gz VVYIWTJQAODLMA-GGPKGHCWSA-N 0 0 389.542 3.108 40 70 GGIBRN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(COC)C(N)=S)cc1 ZINC000218564553 570928601 /nfs/dbraw/zinc/92/86/01/570928601.db2.gz VVYIWTJQAODLMA-HBFSDRIKSA-N 0 0 389.542 3.108 40 70 GGIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000218567812 211761752 /nfs/dbraw/zinc/76/17/52/211761752.db2.gz KAKMXWFOECBGTM-KRWDZBQOSA-N 0 0 388.489 3.399 40 70 GGIBRN O=C(CN1c2cccc3cccc(c23)C1=O)NCc1nc(-c2ccccc2)no1 ZINC000218320105 211760000 /nfs/dbraw/zinc/76/00/00/211760000.db2.gz LJCAIBNVBPDNFJ-UHFFFAOYSA-N 0 0 384.395 3.166 40 70 GGIBRN O=C(Nc1ccc(Br)cc1F)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000218301866 211759827 /nfs/dbraw/zinc/75/98/27/211759827.db2.gz YSJMGRRILUUZCK-PHIMTYICSA-N 0 0 382.237 3.020 40 70 GGIBRN COc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000218185448 211756838 /nfs/dbraw/zinc/75/68/38/211756838.db2.gz IGWRBTQSGWCCSY-WYMLVPIESA-N 0 0 385.460 3.483 40 70 GGIBRN COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3)n2)c(OC)c1 ZINC000217886262 211753028 /nfs/dbraw/zinc/75/30/28/211753028.db2.gz AQCNHDASUPUFBB-FMIVXFBMSA-N 0 0 379.416 3.426 40 70 GGIBRN CCOc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccco2)nn1 ZINC000216686452 211745525 /nfs/dbraw/zinc/74/55/25/211745525.db2.gz XFVHMRSGBBKYEI-LJQANCHMSA-N 0 0 384.461 3.092 40 70 GGIBRN COCCN1C(=O)CS[C@H]1c1ccn(-c2ccc(Br)cc2)c1 ZINC000216679399 565895899 /nfs/dbraw/zinc/89/58/99/565895899.db2.gz PLPGUEKAKKJWFU-INIZCTEOSA-N 0 0 381.295 3.460 40 70 GGIBRN CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(C(=O)OC)cc3)nn2)cc1 ZINC000216769395 570305972 /nfs/dbraw/zinc/30/59/72/570305972.db2.gz NBJSXYLHCZZYAA-NRFANRHFSA-N 0 0 392.459 3.211 40 70 GGIBRN O=C(CCCc1c[nH]c2ccccc12)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217570784 570318417 /nfs/dbraw/zinc/31/84/17/570318417.db2.gz UBSXHZRNVAOAFK-FUHWJXTLSA-N 0 0 375.472 3.298 40 70 GGIBRN CC(C)Oc1ccc(CCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000217896706 570322351 /nfs/dbraw/zinc/32/23/51/570322351.db2.gz MLMHFEJMAHRHPQ-RBUKOAKNSA-N 0 0 380.488 3.214 40 70 GGIBRN Cn1c(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc2ccc(Cl)cc21 ZINC000217920770 570322358 /nfs/dbraw/zinc/32/23/58/570322358.db2.gz QAALBDAIFZBYMJ-DZGCQCFKSA-N 0 0 381.863 3.253 40 70 GGIBRN COc1ccccc1OCC(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000217948625 570322741 /nfs/dbraw/zinc/32/27/41/570322741.db2.gz DUASLWKUEUQOKA-UHFFFAOYSA-N 0 0 387.823 3.436 40 70 GGIBRN Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)cc1 ZINC000217932953 570322749 /nfs/dbraw/zinc/32/27/49/570322749.db2.gz FYNBFBYXHYTBDZ-UXBLZVDNSA-N 0 0 377.400 3.446 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)/C=C/c3ccccc3OC)n2)c(OC)c1 ZINC000217968929 570323056 /nfs/dbraw/zinc/32/30/56/570323056.db2.gz NLUBMMZAHCFMSI-DHZHZOJOSA-N 0 0 395.415 3.092 40 70 GGIBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3OC)n2)c(OC)c1 ZINC000218170263 570326798 /nfs/dbraw/zinc/32/67/98/570326798.db2.gz SEWIESYXHACUKO-UHFFFAOYSA-N 0 0 383.404 3.035 40 70 GGIBRN CN(c1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O ZINC000218341887 570332027 /nfs/dbraw/zinc/33/20/27/570332027.db2.gz USWZGCJPVVUVJM-INIZCTEOSA-N 0 0 388.489 3.115 40 70 GGIBRN CC(C)Oc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218453475 570334748 /nfs/dbraw/zinc/33/47/48/570334748.db2.gz AWGUEMOMFSOQQJ-CQSZACIVSA-N 0 0 394.468 3.406 40 70 GGIBRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218615526 570338079 /nfs/dbraw/zinc/33/80/79/570338079.db2.gz UFYMSYOKFGVYGB-JENIJYKNSA-N 0 0 393.505 3.074 40 70 GGIBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000218640342 570338315 /nfs/dbraw/zinc/33/83/15/570338315.db2.gz VIRRQPYAHJKDEC-KRWDZBQOSA-N 0 0 388.489 3.480 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)CCCOc3ccccc3)n2)c(OC)c1 ZINC000218728402 570339600 /nfs/dbraw/zinc/33/96/00/570339600.db2.gz MUNBJXAFYNTUGY-UHFFFAOYSA-N 0 0 397.431 3.229 40 70 GGIBRN COc1ccc(OCCCC(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000218742587 570340029 /nfs/dbraw/zinc/34/00/29/570340029.db2.gz VGYPLAYEYNDVDE-UHFFFAOYSA-N 0 0 397.431 3.229 40 70 GGIBRN COc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000218753511 570340235 /nfs/dbraw/zinc/34/02/35/570340235.db2.gz BVPJMVFWHVPAMN-CQSZACIVSA-N 0 0 397.431 3.180 40 70 GGIBRN CCN(c1ccc(C(=O)NCCCc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000218777531 570340607 /nfs/dbraw/zinc/34/06/07/570340607.db2.gz QXXDYPAHWODZMG-UHFFFAOYSA-N 0 0 394.924 3.489 40 70 GGIBRN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(COC)C(N)=S)cc1 ZINC000218564632 570928519 /nfs/dbraw/zinc/92/85/19/570928519.db2.gz VVYIWTJQAODLMA-BJLQDIEVSA-N 0 0 389.542 3.108 40 70 GGIBRN COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccc(Br)cc2)c1 ZINC000216679354 222578000 /nfs/dbraw/zinc/57/80/00/222578000.db2.gz PLPGUEKAKKJWFU-MRXNPFEDSA-N 0 0 381.295 3.460 40 70 GGIBRN CCOc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)c1 ZINC000216683900 222578482 /nfs/dbraw/zinc/57/84/82/222578482.db2.gz RDCNKFPBFUGYIC-OAQYLSRUSA-N 0 0 394.500 3.499 40 70 GGIBRN COc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000217845793 222583457 /nfs/dbraw/zinc/58/34/57/222583457.db2.gz VSOKHLLRBVPQRW-UHFFFAOYSA-N 0 0 388.221 3.438 40 70 GGIBRN COc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000217843087 222583675 /nfs/dbraw/zinc/58/36/75/222583675.db2.gz VZDOFACLRBGJHE-UHFFFAOYSA-N 0 0 387.823 3.436 40 70 GGIBRN CC(C)Oc1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218453541 222587423 /nfs/dbraw/zinc/58/74/23/222587423.db2.gz AWGUEMOMFSOQQJ-AWEZNQCLSA-N 0 0 394.468 3.406 40 70 GGIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000218759768 222590780 /nfs/dbraw/zinc/59/07/80/222590780.db2.gz BIPGIEYDVGHIJF-GOSISDBHSA-N 0 0 397.431 3.228 40 70 GGIBRN CN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1ccc2c(c1)OCO2 ZINC000160351800 212161138 /nfs/dbraw/zinc/16/11/38/212161138.db2.gz CTLQIEOCPPHMMU-UHFFFAOYSA-N 0 0 390.321 3.291 40 70 GGIBRN CSc1nc(Nc2cccc(Br)c2)cc(N2CCN(C)CC2)n1 ZINC000216851267 136203132 /nfs/dbraw/zinc/20/31/32/136203132.db2.gz ISWKYNVXGBAGMN-UHFFFAOYSA-N 0 0 394.342 3.456 40 70 GGIBRN Cc1ccc2c(c1)c1ncnc(N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c1n2C ZINC000217469139 136203336 /nfs/dbraw/zinc/20/33/36/136203336.db2.gz DJYOXEJWDHCKCO-JKSUJKDBSA-N 0 0 385.471 3.215 40 70 GGIBRN CCOC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)F)cc3)cc(=O)c2c1 ZINC000008585953 560209652 /nfs/dbraw/zinc/20/96/52/560209652.db2.gz RPVWQFIPQQFZDG-UHFFFAOYSA-N 0 0 375.377 3.442 40 70 in-vitro GGIBRN O=S(=O)(c1ccc(Cl)s1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217666919 565896811 /nfs/dbraw/zinc/89/68/11/565896811.db2.gz CIHLLTCDGLWNCB-ZDUSSCGKSA-N 0 0 394.909 3.296 40 70 GGIBRN CN(c1cccc(NC(=O)c2ccccc2Br)c1)S(C)(=O)=O ZINC000218220793 565898292 /nfs/dbraw/zinc/89/82/92/565898292.db2.gz XMNLGSIQUZKXCD-UHFFFAOYSA-N 0 0 383.267 3.097 40 70 GGIBRN O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217820227 565898584 /nfs/dbraw/zinc/89/85/84/565898584.db2.gz DEISYCQGSISPNC-JTQLQIEISA-N 0 0 387.914 3.305 40 70 GGIBRN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218450303 565899471 /nfs/dbraw/zinc/89/94/71/565899471.db2.gz BTPYJAQHUXAAFR-SNVBAGLBSA-N 0 0 388.823 3.411 40 70 GGIBRN COc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccccc2)nn1 ZINC000216682739 570304340 /nfs/dbraw/zinc/30/43/40/570304340.db2.gz AVESLPHGFRMHPO-HXUWFJFHSA-N 0 0 380.473 3.109 40 70 GGIBRN COc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1 ZINC000216682851 570304350 /nfs/dbraw/zinc/30/43/50/570304350.db2.gz SSVYDOLRDLCYES-HXUWFJFHSA-N 0 0 380.473 3.109 40 70 GGIBRN CCOc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1 ZINC000216682913 570304406 /nfs/dbraw/zinc/30/44/06/570304406.db2.gz CXPWDPLBTHTHBO-NRFANRHFSA-N 0 0 394.500 3.499 40 70 GGIBRN Cc1cc(C)cc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)c1 ZINC000217472866 570316493 /nfs/dbraw/zinc/31/64/93/570316493.db2.gz RXFYHRRDRDQGTJ-CGXNFDGLSA-N 0 0 388.467 3.139 40 70 GGIBRN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1C ZINC000217478444 570316538 /nfs/dbraw/zinc/31/65/38/570316538.db2.gz ZHQNWZMABXGLTE-XRXFAXGQSA-N 0 0 388.467 3.139 40 70 GGIBRN COc1cccc(-c2noc(CN(C)C(=O)c3ccc(OC)c(OC)c3)n2)c1 ZINC000217881649 570322412 /nfs/dbraw/zinc/32/24/12/570322412.db2.gz AOJAKNNUTBMTEH-UHFFFAOYSA-N 0 0 383.404 3.035 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(F)cc3)n2)c(OC)c1 ZINC000217914952 570322489 /nfs/dbraw/zinc/32/24/89/570322489.db2.gz QQJHMJMGGKOUIZ-BJMVGYQFSA-N 0 0 383.379 3.223 40 70 GGIBRN CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000217931662 570322772 /nfs/dbraw/zinc/32/27/72/570322772.db2.gz YEJCNIUDHIMVLN-RIWGIVCCSA-N 0 0 387.457 3.100 40 70 GGIBRN CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000217931576 570322815 /nfs/dbraw/zinc/32/28/15/570322815.db2.gz YEJCNIUDHIMVLN-OPGUWZMBSA-N 0 0 387.457 3.100 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)CSCc3ccccc3)n2)c(OC)c1 ZINC000218012199 570323795 /nfs/dbraw/zinc/32/37/95/570323795.db2.gz KXGJZEYFRRHERM-UHFFFAOYSA-N 0 0 399.472 3.303 40 70 GGIBRN O=C(Cn1ccc2ccc(Cl)cc21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218100164 570325308 /nfs/dbraw/zinc/32/53/08/570325308.db2.gz YTUNHWJMAHQXNT-GOEBONIOSA-N 0 0 381.863 3.102 40 70 GGIBRN COc1ccc(CSCC(=O)NCc2ccc(OC)c(OC)c2OC)cc1 ZINC000218112310 570325404 /nfs/dbraw/zinc/32/54/04/570325404.db2.gz BVUTUQWDPOBGFY-UHFFFAOYSA-N 0 0 391.489 3.271 40 70 GGIBRN COc1ccc(CSCC(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000218117360 570325557 /nfs/dbraw/zinc/32/55/57/570325557.db2.gz WNNBHBCDFPWSNG-UHFFFAOYSA-N 0 0 399.472 3.303 40 70 GGIBRN COc1ccc(-c2noc(CN(C)C(=O)CCc3ccccc3)n2)c(OC)c1 ZINC000218174006 570327182 /nfs/dbraw/zinc/32/71/82/570327182.db2.gz KZEFXIJINPUQQA-UHFFFAOYSA-N 0 0 381.432 3.345 40 70 GGIBRN CC(C)Oc1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218283003 570329775 /nfs/dbraw/zinc/32/97/75/570329775.db2.gz LADKREYEKKUUDS-OAHLLOKOSA-N 0 0 376.478 3.267 40 70 GGIBRN C[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000218284340 570329879 /nfs/dbraw/zinc/32/98/79/570329879.db2.gz APIXYIJUUCGUTP-HNNXBMFYSA-N 0 0 394.924 3.244 40 70 GGIBRN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C ZINC000218462024 570334939 /nfs/dbraw/zinc/33/49/39/570334939.db2.gz ZHAWWZBWQJQRSB-HOTGVXAUSA-N 0 0 392.496 3.474 40 70 GGIBRN CCOc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000218578846 570336978 /nfs/dbraw/zinc/33/69/78/570336978.db2.gz KJUHXQMXGAHQMD-UHFFFAOYSA-N 0 0 390.505 3.128 40 70 GGIBRN CC(C)Oc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000218567128 570336983 /nfs/dbraw/zinc/33/69/83/570336983.db2.gz MLCGEGHBJWFHGN-UHFFFAOYSA-N 0 0 390.505 3.208 40 70 GGIBRN CCOc1ccc(CCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000218587346 570337006 /nfs/dbraw/zinc/33/70/06/570337006.db2.gz SNQCFCWISYPIQK-UHFFFAOYSA-N 0 0 390.505 3.128 40 70 GGIBRN CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218690161 570339241 /nfs/dbraw/zinc/33/92/41/570339241.db2.gz DJXJSBZGLHFQPE-HNAYVOBHSA-N 0 0 375.490 3.433 40 70 GGIBRN COc1ccc(-c2noc(CNC(=O)COc3cc(C)cc(C)c3)n2)c(OC)c1 ZINC000218696635 570339281 /nfs/dbraw/zinc/33/92/81/570339281.db2.gz CMOZAYRBXRLFSZ-UHFFFAOYSA-N 0 0 397.431 3.066 40 70 GGIBRN COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(F)cc3)n2)c1 ZINC000218706546 570339352 /nfs/dbraw/zinc/33/93/52/570339352.db2.gz PLXDPTWWKODJSJ-CYBMUJFWSA-N 0 0 385.395 3.310 40 70 GGIBRN COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(F)cc3)n2)c1 ZINC000218706613 570339393 /nfs/dbraw/zinc/33/93/93/570339393.db2.gz PLXDPTWWKODJSJ-ZDUSSCGKSA-N 0 0 385.395 3.310 40 70 GGIBRN CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218690037 570339430 /nfs/dbraw/zinc/33/94/30/570339430.db2.gz DJXJSBZGLHFQPE-DNVCBOLYSA-N 0 0 375.490 3.433 40 70 GGIBRN COc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000218753470 570340297 /nfs/dbraw/zinc/34/02/97/570340297.db2.gz BVPJMVFWHVPAMN-AWEZNQCLSA-N 0 0 397.431 3.180 40 70 GGIBRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218752777 570340365 /nfs/dbraw/zinc/34/03/65/570340365.db2.gz WUCQQFQWUSNHLP-AUUYWEPGSA-N 0 0 391.489 3.134 40 70 GGIBRN