smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1cc(C)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1C#N ZINC000004758018 204074097 /nfs/dbraw/zinc/07/40/97/204074097.db2.gz KYVGKISOIQMJND-UHFFFAOYSA-N -1 0 388.405 2.753 50 30 GFEARM CS(=O)(=O)c1ccc(-c2cc(-c3cccc(C(=O)[O-])c3)nc(N)c2C#N)cc1 ZINC000071755163 205293322 /nfs/dbraw/zinc/29/33/22/205293322.db2.gz JUPJXJIWIHXNAP-UHFFFAOYSA-N -1 0 393.424 2.971 50 30 GFEARM COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCCCC#N ZINC000006441291 533473132 /nfs/dbraw/zinc/47/31/32/533473132.db2.gz CPEYXGPPNKPFQI-NTEUORMPSA-N -1 0 392.458 2.664 50 30 GFEARM COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)cc1 ZINC000022625759 521937471 /nfs/dbraw/zinc/93/74/71/521937471.db2.gz ZMGASYMGJSMVHC-UNOMPAQXSA-N -1 0 395.411 2.627 50 30 GFEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000048566507 524996203 /nfs/dbraw/zinc/99/62/03/524996203.db2.gz SNYPUUYTSNAUOQ-UHFFFAOYSA-N -1 0 395.349 2.514 50 30 GFEARM Cc1csc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)n1 ZINC000013119381 551108458 /nfs/dbraw/zinc/10/84/58/551108458.db2.gz NEXLANTULAIRDK-UHFFFAOYSA-N -1 0 378.460 2.663 50 30 GFEARM N#CC1=C([O-])NC(N2CCN(c3ccc(Cl)cc3)CC2)=NC12CCCCC2 ZINC000006672944 204191925 /nfs/dbraw/zinc/19/19/25/204191925.db2.gz RSFDCLXPJAMAHM-KRWDZBQOSA-N -1 0 385.899 2.790 50 30 GFEARM N#Cc1c(SCC(=O)NCC(=O)[O-])nc(-c2ccco2)cc1C(F)(F)F ZINC000008382611 204274250 /nfs/dbraw/zinc/27/42/50/204274250.db2.gz YJWMGYVREMYCOH-UHFFFAOYSA-N -1 0 385.323 2.525 50 30 GFEARM COc1ccccc1-c1cc(-c2c(C)nn(CC(=O)[O-])c2C)nc(N)c1C#N ZINC000071761131 205293988 /nfs/dbraw/zinc/29/39/88/205293988.db2.gz NZTGGGHEKMLBIS-UHFFFAOYSA-N -1 0 377.404 2.776 50 30 GFEARM CC[C@@H]1CN(C(=O)c2cc(C#N)c(=O)[n-]c2C)CCC(=O)N1Cc1ccccc1 ZINC000071767792 205295609 /nfs/dbraw/zinc/29/56/09/205295609.db2.gz RTOUIBWOXPANSD-GOSISDBHSA-N -1 0 392.459 2.621 50 30 GFEARM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccncc1 ZINC000009189654 519221317 /nfs/dbraw/zinc/22/13/17/519221317.db2.gz ZECCGSFXNSDWMN-UHFFFAOYSA-N -1 0 395.444 2.955 50 30 GFEARM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1cccs1 ZINC000048601081 519682078 /nfs/dbraw/zinc/68/20/78/519682078.db2.gz XQNOZZJZRQMFNB-AWEZNQCLSA-N -1 0 377.447 2.532 50 30 GFEARM COc1cc(OC)nc(Oc2cccc(C)c2C(=O)[N-]S(=O)(=O)C(C)C)n1 ZINC000096580827 522888784 /nfs/dbraw/zinc/88/87/84/522888784.db2.gz WDIUJUUNJDHVCU-UHFFFAOYSA-N -1 0 395.437 2.637 50 30 GFEARM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000069282196 525905301 /nfs/dbraw/zinc/90/53/01/525905301.db2.gz FKEGQAPNTXYUFF-PWSUYJOCSA-N -1 0 392.271 2.678 50 30 GFEARM C[C@@H](C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000054426971 526236018 /nfs/dbraw/zinc/23/60/18/526236018.db2.gz MZBQTWWJFAYMKJ-YLSINNKHSA-N -1 0 397.449 2.945 50 30 GFEARM O=C1C(=O)N(CCO)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102799750 526952314 /nfs/dbraw/zinc/95/23/14/526952314.db2.gz WPTQZZUSFZGBAV-UYTDBDHRSA-N -1 0 375.783 2.893 50 30 GFEARM O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000095467928 527153986 /nfs/dbraw/zinc/15/39/86/527153986.db2.gz AVEONKXPZUIGCZ-UHFFFAOYSA-N -1 0 379.825 2.777 50 30 GFEARM O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(-c3cccc(Cl)c3)o2)NC1=O ZINC000001142863 570247863 /nfs/dbraw/zinc/24/78/63/570247863.db2.gz QVUMKVHWKVYEJA-VFJJTOLMSA-N -1 0 377.809 2.996 50 30 GFEARM O=C1N/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000001776044 570268102 /nfs/dbraw/zinc/26/81/02/570268102.db2.gz KJKDCEGSGMEFMH-BFERYNQYSA-N -1 0 399.388 2.667 50 30 GFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccnc2)cc1C(F)(F)F ZINC000136040848 570435478 /nfs/dbraw/zinc/43/54/78/570435478.db2.gz SNJGQVOUELDYGB-UONOGXRCSA-N -1 0 395.362 2.581 50 30 GFEARM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cccnc1 ZINC000004384691 570725563 /nfs/dbraw/zinc/72/55/63/570725563.db2.gz ZNGVTFUBTGJBCX-UHFFFAOYSA-N -1 0 395.444 2.955 50 30 GFEARM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000012552406 570856350 /nfs/dbraw/zinc/85/63/50/570856350.db2.gz WSKXQDCJDPATNA-UHFFFAOYSA-N -1 0 383.351 2.651 50 30 GFEARM O=C([O-])c1cccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)c1 ZINC000001241501 570948943 /nfs/dbraw/zinc/94/89/43/570948943.db2.gz INAVFLZQQLYWCZ-XLNRJJMWSA-N -1 0 378.384 2.913 50 30 GFEARM Cc1nn(-c2ccccc2)c2[nH]c3nc(=O)[n-]c(=O)c-3c(-c3ccc(C#N)cc3)c12 ZINC000072332772 205325931 /nfs/dbraw/zinc/32/59/31/205325931.db2.gz NOGYPTWZAOCJQB-UHFFFAOYSA-N -1 0 394.394 2.797 50 30 GFEARM CCCN(CC(=O)Nc1ccc(C#N)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000010088323 221096302 /nfs/dbraw/zinc/09/63/02/221096302.db2.gz HISRFAQKJGSRHN-UHFFFAOYSA-N -1 0 381.461 2.707 50 30 GFEARM COC(=O)c1ccccc1-c1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)o1 ZINC000033477527 522256194 /nfs/dbraw/zinc/25/61/94/522256194.db2.gz LTSDOBZYWQZYQB-GXVATQTDSA-N -1 0 380.352 2.961 50 30 GFEARM CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C(/C)c2c([O-])cc(C)oc2=O)cc1 ZINC000017077378 522428265 /nfs/dbraw/zinc/42/82/65/522428265.db2.gz FFBPYHUCBRYZDL-ZNCULLJESA-N -1 0 378.450 2.870 50 30 GFEARM Cc1ccc(C(=O)Nc2ccc(N3CCN(CCC#N)CC3)cc2C(=O)[O-])cc1 ZINC000045967617 526221334 /nfs/dbraw/zinc/22/13/34/526221334.db2.gz IMIOJNXPDODSPY-UHFFFAOYSA-N -1 0 392.459 2.981 50 30 GFEARM [O-]c1c(Cl)cc(Cl)cc1CN=Nc1ncc(F)c(N2CCOCC2)n1 ZINC000098087033 526324849 /nfs/dbraw/zinc/32/48/49/526324849.db2.gz GMLGUPDHGWEOAU-SCDVKCJHSA-N -1 0 386.214 2.911 50 30 GFEARM N#CN=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000013573270 526428382 /nfs/dbraw/zinc/42/83/82/526428382.db2.gz ZVTJPQNKBWYGHL-HNNXBMFYSA-N -1 0 394.412 2.699 50 30 GFEARM Cn1c([O-])c(C(=Nc2ccccc2)SCc2ccccc2)c(=O)n(C)c1=O ZINC000102650255 527077062 /nfs/dbraw/zinc/07/70/62/527077062.db2.gz JIYYKGZDYKUWIW-FXBPSFAMSA-N -1 0 381.457 2.801 50 30 GFEARM C=CCn1c(=O)c2ccc(C(=O)Nn3cnc4ccccc43)cc2[n-]c1=S ZINC000028813885 570310080 /nfs/dbraw/zinc/31/00/80/570310080.db2.gz UWBNYURPCWSXGK-UHFFFAOYSA-N -1 0 377.429 2.605 50 30 GFEARM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000159993185 570819699 /nfs/dbraw/zinc/81/96/99/570819699.db2.gz NAGPVZYKISCUJY-LLVKDONJSA-N -1 0 394.811 2.722 50 30 GFEARM CC(C)(O)C#Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000004689576 570834932 /nfs/dbraw/zinc/83/49/32/570834932.db2.gz OXABRYHXDAWPGS-HXUWFJFHSA-N -1 0 390.439 2.716 50 30 GFEARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C2CCCCC2)c1 ZINC000084001784 570990022 /nfs/dbraw/zinc/99/00/22/570990022.db2.gz GFVUJNHCLWWKJI-GFCCVEGCSA-N -1 0 380.466 2.619 50 30 GFEARM COc1cc(Br)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000048520676 654708498 /nfs/dbraw/zinc/70/84/98/654708498.db2.gz OSXMOBAGBJLNIR-AWFCHZOYSA-N -1 0 395.205 2.695 50 30 GFEARM CCOc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000004739288 204072192 /nfs/dbraw/zinc/07/21/92/204072192.db2.gz OQHNGIYREJNZLD-NGZBARDMSA-N -1 0 381.388 2.695 50 30 GFEARM COc1cccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)c1 ZINC000008744074 204286859 /nfs/dbraw/zinc/28/68/59/204286859.db2.gz DTSHOGNPRXMURF-MRXNPFEDSA-N -1 0 377.356 2.861 50 30 GFEARM COC(=O)c1cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1N1CCOCC1 ZINC000102414108 521798038 /nfs/dbraw/zinc/79/80/38/521798038.db2.gz KXJYFGCVVLCHOI-UDWIEESQSA-N -1 0 385.376 2.674 50 30 GFEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccccn2)s1 ZINC000102745849 526354411 /nfs/dbraw/zinc/35/44/11/526354411.db2.gz RGWWIGLMETZZKL-MNWMYKRDSA-N -1 0 384.442 2.929 50 30 GFEARM O=C(C=Cc1ccc2c(c1)OCO2)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058151230 527191475 /nfs/dbraw/zinc/19/14/75/527191475.db2.gz WAVXBPPUINSIKU-ZZXKWVIFSA-N -1 0 380.809 2.963 50 30 GFEARM Cc1ccc(Cc2nc(C(=O)[N-]S(=O)(=O)C[C@H]3CCOC3)cs2)cc1 ZINC000091888513 570436532 /nfs/dbraw/zinc/43/65/32/570436532.db2.gz FPGRNFOCANKJDY-AWEZNQCLSA-N -1 0 380.491 2.713 50 30 GFEARM O=c1[nH][nH]c2c1[C@H](c1cc([N+](=O)[O-])ccc1[O-])C1=C(N2)c2ccccc2C1=O ZINC000018196154 570808557 /nfs/dbraw/zinc/80/85/57/570808557.db2.gz ITXAVFRSYYOQLQ-CYBMUJFWSA-N -1 0 376.328 2.894 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@H]1c1cccc(F)c1 ZINC000004576391 204053963 /nfs/dbraw/zinc/05/39/63/204053963.db2.gz MZLCNFNXQCSNKF-SFHVURJKSA-N -1 0 385.347 2.778 50 30 GFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccnc2)cc1C(F)(F)F ZINC000136040822 205693525 /nfs/dbraw/zinc/69/35/25/205693525.db2.gz SNJGQVOUELDYGB-KGLIPLIRSA-N -1 0 395.362 2.581 50 30 GFEARM COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000018085002 525393140 /nfs/dbraw/zinc/39/31/40/525393140.db2.gz PDMQOJQHAOIIAI-SFHVURJKSA-N -1 0 397.383 2.891 50 30 GFEARM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(Br)ccc2C#N)c1C ZINC000471924361 564207166 /nfs/dbraw/zinc/20/71/66/564207166.db2.gz MOVQFMIVLQKKNN-UHFFFAOYSA-N -1 0 383.271 2.955 50 30 GFEARM O=C([O-])CCNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(F)c(F)c2)c1 ZINC000012798044 570217644 /nfs/dbraw/zinc/21/76/44/570217644.db2.gz HFCJRDIHCMORAT-FNORWQNLSA-N -1 0 395.383 2.614 50 30 GFEARM O=C([O-])CNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccccc2Cl)c1 ZINC000012750691 570813108 /nfs/dbraw/zinc/81/31/08/570813108.db2.gz AQJBXQLMJZXRML-CMDGGOBGSA-N -1 0 379.821 2.599 50 30 GFEARM COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000042338674 570889844 /nfs/dbraw/zinc/88/98/44/570889844.db2.gz JCLQSJVEJQHPON-UHFFFAOYSA-N -1 0 377.418 2.744 50 30 GFEARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1[N+](=O)[O-] ZINC000002950907 203976077 /nfs/dbraw/zinc/97/60/77/203976077.db2.gz NKLMBFFFNOXGSK-UHFFFAOYSA-N -1 0 393.377 2.521 50 30 GFEARM COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1C ZINC000004738551 204070778 /nfs/dbraw/zinc/07/07/78/204070778.db2.gz DTCIYANKKRCXLI-WPZNHYQYSA-N -1 0 397.362 2.522 50 30 GFEARM CCOc1ccc(C=CC(=O)c2c([O-])[nH]c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000009087193 204298818 /nfs/dbraw/zinc/29/88/18/204298818.db2.gz KRBSQFBPWSLJBD-JLHYYAGUSA-N -1 0 378.384 2.526 50 30 GFEARM N#Cc1nc2[n-]c(SCC(=O)c3ccc(Br)cc3)nc(N)c-2n1 ZINC000012322713 204397412 /nfs/dbraw/zinc/39/74/12/204397412.db2.gz ZKKIGZLLZHUGSK-UHFFFAOYSA-N -1 0 389.238 2.544 50 30 GFEARM Cc1[nH]nc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1C#N ZINC000225531170 206055956 /nfs/dbraw/zinc/05/59/56/206055956.db2.gz HWIKVDNPTUQQBQ-UHFFFAOYSA-N -1 0 375.635 2.807 50 30 GFEARM Cc1cc(N=NCc2ccc(O)cc2)nc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000004546127 525045126 /nfs/dbraw/zinc/04/51/26/525045126.db2.gz GHIMYBVOYLWWGQ-XDHOZWIPSA-N -1 0 383.433 2.737 50 30 GFEARM Cc1ccc(S(=O)(=O)n2[n-]c(=N)c(N=Nc3cccc(Cl)c3)c2N)cc1 ZINC000016949227 525559271 /nfs/dbraw/zinc/55/92/71/525559271.db2.gz CGAXFAHSFCKSIS-WIMWBABDSA-N -1 0 390.856 2.580 50 30 GFEARM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000058072944 527160471 /nfs/dbraw/zinc/16/04/71/527160471.db2.gz BABLBPRTQQKAQW-UHFFFAOYSA-N -1 0 381.422 2.650 50 30 GFEARM O=C(COCc1ccccc1Cl)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000048470440 570252311 /nfs/dbraw/zinc/25/23/11/570252311.db2.gz RLTAKQPTAVBPGU-UHFFFAOYSA-N -1 0 397.836 2.973 50 30 GFEARM CCCC(=O)Nc1ccc2nc(N3CCN(CCC#N)CC3)cc(C(=O)[O-])c2c1 ZINC000033010331 570622231 /nfs/dbraw/zinc/62/22/31/570622231.db2.gz QYLMOVITLXMREH-UHFFFAOYSA-N -1 0 395.463 2.707 50 30 GFEARM Cc1ccsc1CN(CCC(=O)NO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020665160 570794925 /nfs/dbraw/zinc/79/49/25/570794925.db2.gz BZJJDUWKPHCSQR-UHFFFAOYSA-N -1 0 388.898 2.796 50 30 GFEARM COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc([N+](=O)[O-])c1[O-] ZINC000018195935 570808610 /nfs/dbraw/zinc/80/86/10/570808610.db2.gz CFGHHBQMIYUNIB-OAHLLOKOSA-N -1 0 385.380 2.559 50 30 GFEARM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc3c(cc2C#N)CCCC3)c(C)c1 ZINC000097164907 205587624 /nfs/dbraw/zinc/58/76/24/205587624.db2.gz BNXGGNYHNWRXDZ-UHFFFAOYSA-N -1 0 385.445 2.728 50 30 GFEARM Cc1cc(C)n([N-]C(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)c(=O)c1C#N ZINC000002782651 206212913 /nfs/dbraw/zinc/21/29/13/206212913.db2.gz UISXHXVFEUPYFO-UHFFFAOYSA-N -1 0 398.373 2.578 50 30 GFEARM C/C(=N\NS(=O)(=O)c1ccc(CC(C)C)cc1)c1c([O-])cc(C)oc1=O ZINC000017077369 518463213 /nfs/dbraw/zinc/46/32/13/518463213.db2.gz SJVBWSLXPNTXSL-CPNJWEJPSA-N -1 0 378.450 2.555 50 30 GFEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000102927272 523788699 /nfs/dbraw/zinc/78/86/99/523788699.db2.gz AHMXBPGATDTLIJ-SELCWUDQSA-N -1 0 385.391 2.902 50 30 GFEARM Cc1cc(N=NCc2ccccc2)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000004329307 525044646 /nfs/dbraw/zinc/04/46/46/525044646.db2.gz CUEMRUIYAQIOSB-UDWIEESQSA-N -1 0 382.449 2.614 50 30 GFEARM NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccccc2C(F)(F)F)c1=O ZINC000100006107 527109768 /nfs/dbraw/zinc/10/97/68/527109768.db2.gz OQDNRFJKNRYFIN-OEAKJJBVSA-N -1 0 391.378 2.963 50 30 GFEARM N#Cc1c(=O)[n-]c(SCC(=O)NC(=O)NC2CCCC2)nc1-c1ccccc1 ZINC000024754794 570290103 /nfs/dbraw/zinc/29/01/03/570290103.db2.gz LVQSFHORZYFROA-UHFFFAOYSA-N -1 0 397.460 2.581 50 30 GFEARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)c3cccc(CC#N)c3)cc(Cl)c2O1 ZINC000170628854 570883358 /nfs/dbraw/zinc/88/33/58/570883358.db2.gz XBZUTWLMFLMCIU-LLVKDONJSA-N -1 0 390.848 2.848 50 30 GFEARM Cc1ccc(C)c(OCCC(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)c1 ZINC000160089265 570956832 /nfs/dbraw/zinc/95/68/32/570956832.db2.gz LVJVQCGMYSKDQQ-UHFFFAOYSA-N -1 0 376.409 2.588 50 30 GFEARM COc1cc(/C=C\C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)cc(OC)c1O ZINC000096792837 533481902 /nfs/dbraw/zinc/48/19/02/533481902.db2.gz RKRJIHBILWBQIW-XQRVVYSFSA-N -1 0 388.372 2.778 50 30 GFEARM C#CCOc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000032099573 518319574 /nfs/dbraw/zinc/31/95/74/518319574.db2.gz RFMODEOTRNTUBZ-YBEGLDIGSA-N -1 0 382.803 2.822 50 30 GFEARM C=CCNC(=O)CCc1nnc(-c2ccc(OCC(C)C)c(OC)c2)[n-]c1=O ZINC000034767272 518886066 /nfs/dbraw/zinc/88/60/66/518886066.db2.gz GKROMAWWQDSVRL-UHFFFAOYSA-N -1 0 386.452 2.522 50 30 GFEARM COc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)cc(OC)c1O ZINC000013350524 521940879 /nfs/dbraw/zinc/94/08/79/521940879.db2.gz RKRJIHBILWBQIW-GQCTYLIASA-N -1 0 388.372 2.778 50 30 GFEARM N#CCCN1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000045967654 526460275 /nfs/dbraw/zinc/46/02/75/526460275.db2.gz LWFXHDSUBFXNNI-UHFFFAOYSA-N -1 0 396.422 2.812 50 30 GFEARM O=C([N-]S(=O)(=O)C1CCCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000058072445 527323916 /nfs/dbraw/zinc/32/39/16/527323916.db2.gz LHZPAMRRYIMHEC-MRXNPFEDSA-N -1 0 380.466 2.771 50 30 GFEARM COc1cc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1C ZINC000048461793 570251819 /nfs/dbraw/zinc/25/18/19/570251819.db2.gz MTMAANVCYSFZKV-UHFFFAOYSA-N -1 0 377.418 2.663 50 30 GFEARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000022960918 570513236 /nfs/dbraw/zinc/51/32/36/570513236.db2.gz DQPRFJUWUBIUHI-HUUCEWRRSA-N -1 0 399.472 2.608 50 30 GFEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccc(OC)c(OC)c2)s1 ZINC000032891718 570889384 /nfs/dbraw/zinc/88/93/84/570889384.db2.gz PQEMZPUAAVQCNF-UHFFFAOYSA-N -1 0 398.466 2.868 50 30 GFEARM C#CCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000004746528 571042731 /nfs/dbraw/zinc/04/27/31/571042731.db2.gz IPDPYVHRCOQCMC-QINSGFPZSA-N -1 0 380.400 2.669 50 30 GFEARM C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3cccc(C(=O)OCC)c3)o2)C1=O ZINC000006463948 206229907 /nfs/dbraw/zinc/22/99/07/206229907.db2.gz YDEWTJVHUPDCKQ-VBKFSLOCSA-N -1 0 394.383 2.771 50 30 GFEARM Cc1c(-c2ccc(OCC(=O)[O-])cc2)nc(N)c(C#N)c1-c1ccc(CO)o1 ZINC000071746031 207947916 /nfs/dbraw/zinc/94/79/16/207947916.db2.gz KXFYBNBXBABEQZ-UHFFFAOYSA-N -1 0 379.372 2.727 50 30 GFEARM CCCC(=O)C1=C(NCCCCCC(=O)[O-])CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100319597 208373154 /nfs/dbraw/zinc/37/31/54/208373154.db2.gz NRECMGNEJYTMFE-QGZVFWFLSA-N -1 0 381.469 2.633 50 30 GFEARM C[S@](=O)c1cccc([N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000241126110 209020098 /nfs/dbraw/zinc/02/00/98/209020098.db2.gz JJOUKKZJZCZBFP-NRFANRHFSA-N -1 0 399.291 2.859 50 30 GFEARM COc1cc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)ccc1OCC(=O)[O-] ZINC000013350485 522049904 /nfs/dbraw/zinc/04/99/04/522049904.db2.gz HNFIQBNKPKUCNG-XBXARRHUSA-N -1 0 397.427 2.891 50 30 GFEARM C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000071846761 525903816 /nfs/dbraw/zinc/90/38/16/525903816.db2.gz MMMFMZARSMYKCG-OLZOCXBDSA-N -1 0 396.440 2.993 50 30 GFEARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=NNc1cccc(C(F)(F)F)c1 ZINC000100681809 527048057 /nfs/dbraw/zinc/04/80/57/527048057.db2.gz WTWVPSDZEQZBTP-OYKKKHCWSA-N -1 0 390.321 2.752 50 30 GFEARM C[C@H](NS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000033785004 570417687 /nfs/dbraw/zinc/41/76/87/570417687.db2.gz FQBUNYLGZVLAHO-MCWZUMHDSA-N -1 0 393.848 2.988 50 30 GFEARM O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3nnn[n-]3)o2)c(Br)c1 ZINC000008377589 654483714 /nfs/dbraw/zinc/48/37/14/654483714.db2.gz AOXXCTVOTJPEQW-MKMNVTDBSA-N -1 0 378.146 2.576 50 30 GFEARM N#Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001097161 206351899 /nfs/dbraw/zinc/35/18/99/206351899.db2.gz MNNVFKUBDWSGNN-DHDCSXOGSA-N -1 0 396.200 2.987 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000018156278 207094126 /nfs/dbraw/zinc/09/41/26/207094126.db2.gz ZUDZKDRBPGINOQ-INIZCTEOSA-N -1 0 382.328 2.782 50 30 GFEARM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(OC)c1OC(F)F ZINC000023654337 207279621 /nfs/dbraw/zinc/27/96/21/207279621.db2.gz UWPSYRKAJHSUET-MBVDDHJVSA-N -1 0 382.315 2.533 50 30 GFEARM CSc1[n-]c(=O)c(C(=O)NCc2c(F)cccc2OC(F)F)cc1C#N ZINC000095964485 208247414 /nfs/dbraw/zinc/24/74/14/208247414.db2.gz CGNCQYWVKUFSNR-UHFFFAOYSA-N -1 0 383.351 2.639 50 30 GFEARM COc1ccc(N2CCN(C(=O)c3cc(C#N)c(=O)[n-]c3C)CC2(C)C)cc1 ZINC000077487629 136172170 /nfs/dbraw/zinc/17/21/70/136172170.db2.gz RRSXVYCZVUBCCA-UHFFFAOYSA-N -1 0 380.448 2.717 50 30 GFEARM COc1cccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(OCC(=O)[O-])cc2)c1 ZINC000004576388 524112797 /nfs/dbraw/zinc/11/27/97/524112797.db2.gz BKQOPOZQZBZWGQ-LJQANCHMSA-N -1 0 397.383 2.648 50 30 GFEARM N#CCCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020744960 526460900 /nfs/dbraw/zinc/46/09/00/526460900.db2.gz BTXOIRGDYFOQSD-MRXNPFEDSA-N -1 0 391.269 2.587 50 30 GFEARM CC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3cnc(NCC(=O)[O-])nc3)c2C1 ZINC000071755059 570282657 /nfs/dbraw/zinc/28/26/57/570282657.db2.gz CJKJHQYZMZDSJC-LBPRGKRZSA-N -1 0 380.452 2.640 50 30 GFEARM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000156767008 570750379 /nfs/dbraw/zinc/75/03/79/570750379.db2.gz HJYBWIXRSZUWOT-UHFFFAOYSA-N -1 0 376.409 2.668 50 30 GFEARM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(F)cc2OC(F)F)c1 ZINC000170654728 570999583 /nfs/dbraw/zinc/99/95/83/570999583.db2.gz STFNMBLNLHTCFJ-UHFFFAOYSA-N -1 0 384.335 2.559 50 30 GFEARM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccnc(Br)c2)n1 ZINC000084800529 571038804 /nfs/dbraw/zinc/03/88/04/571038804.db2.gz JIYHRDUANRPBPK-SECBINFHSA-N -1 0 380.223 2.967 50 30 GFEARM COc1cc(Br)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000048520677 654708359 /nfs/dbraw/zinc/70/83/59/654708359.db2.gz OSXMOBAGBJLNIR-YIEVGGLXSA-N -1 0 395.205 2.695 50 30 GFEARM COc1ccc2c(c1)OC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1)C2 ZINC000050206974 533281448 /nfs/dbraw/zinc/28/14/48/533281448.db2.gz NCSDAMGQIJBIRD-ZDUSSCGKSA-N -1 0 396.852 2.781 50 30 GFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccnc2)cc1C(F)(F)F ZINC000136040781 518196692 /nfs/dbraw/zinc/19/66/92/518196692.db2.gz SNJGQVOUELDYGB-KBPBESRZSA-N -1 0 395.362 2.581 50 30 GFEARM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(N2CCCC2)nn1 ZINC000084343676 571014078 /nfs/dbraw/zinc/01/40/78/571014078.db2.gz GJQBOHARTMVUFP-UHFFFAOYSA-N -1 0 384.820 2.563 50 30 GFEARM Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NCC(=O)[O-])n2)o1 ZINC000008382612 600247864 /nfs/dbraw/zinc/24/78/64/600247864.db2.gz TWNBSDKQVBQCBR-UHFFFAOYSA-N -1 0 399.350 2.833 50 30 GFEARM CC[C@H](C)NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[n-]1 ZINC000028616567 207344842 /nfs/dbraw/zinc/34/48/42/207344842.db2.gz OKTUMCZPTONGNG-JTQLQIEISA-N -1 0 376.869 2.969 50 30 GFEARM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc(C)c(OC)c1 ZINC000095469796 522286756 /nfs/dbraw/zinc/28/67/56/522286756.db2.gz DGJRHLGZVBEEOW-UHFFFAOYSA-N -1 0 377.418 2.678 50 30 GFEARM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000006786760 525382706 /nfs/dbraw/zinc/38/27/06/525382706.db2.gz ZMSCULNTWSCEKX-HQMFNGAOSA-N -1 0 395.411 2.982 50 30 GFEARM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069284058 525915284 /nfs/dbraw/zinc/91/52/84/525915284.db2.gz FCSVRZGTVFGZSB-WDEREUQCSA-N -1 0 392.271 2.678 50 30 GFEARM O=C1C(=O)N(CCO)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102799746 526952339 /nfs/dbraw/zinc/95/23/39/526952339.db2.gz WPTQZZUSFZGBAV-IBOXJLQUSA-N -1 0 375.783 2.893 50 30 GFEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1S(C)(=O)=O ZINC000048418324 570250822 /nfs/dbraw/zinc/25/08/22/570250822.db2.gz QJZGPXYBMCOXKP-UHFFFAOYSA-N -1 0 387.866 2.745 50 30 GFEARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=NNc1cccc(C(F)(F)F)c1 ZINC000006230977 570345080 /nfs/dbraw/zinc/34/50/80/570345080.db2.gz JACZEPXSVQDUET-YDZHTSKRSA-N -1 0 376.294 2.756 50 30 GFEARM C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000002946857 570529453 /nfs/dbraw/zinc/52/94/53/570529453.db2.gz KKBAKRJMBPLOJS-SFQUDFHCSA-N -1 0 390.395 2.682 50 30 GFEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000032891724 570889362 /nfs/dbraw/zinc/88/93/62/570889362.db2.gz YJWZEOLXMYXLKF-UHFFFAOYSA-N -1 0 396.450 2.622 50 30 GFEARM Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000129564291 570985170 /nfs/dbraw/zinc/98/51/70/570985170.db2.gz ZXCQIMFGSOCFIH-UHFFFAOYSA-N -1 0 393.346 2.876 50 30 GFEARM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccncc1 ZINC000009145520 206245544 /nfs/dbraw/zinc/24/55/44/206245544.db2.gz LIDVUEIEWJOCCW-UHFFFAOYSA-N -1 0 395.444 2.955 50 30 GFEARM CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCC(=O)[O-] ZINC000019910745 520498068 /nfs/dbraw/zinc/49/80/68/520498068.db2.gz WCNPJFTZMBOKCF-IBGZPJMESA-N -1 0 385.416 2.681 50 30 GFEARM COc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)cc(OC)c1C ZINC000058151789 521923262 /nfs/dbraw/zinc/92/32/62/521923262.db2.gz UNSJSVLDUQNMRQ-UHFFFAOYSA-N -1 0 384.841 2.895 50 30 GFEARM COc1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c([N+](=O)[O-])c1 ZINC000100005566 524380650 /nfs/dbraw/zinc/38/06/50/524380650.db2.gz JPPZUFIKUUOUIW-KNTRCKAVSA-N -1 0 398.335 2.702 50 30 GFEARM O=C([O-])CCNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000012798831 570377484 /nfs/dbraw/zinc/37/74/84/570377484.db2.gz URMYCEPKOOPFQG-RUDMXATFSA-N -1 0 393.848 2.989 50 30 GFEARM CCOc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000004739287 570400457 /nfs/dbraw/zinc/40/04/57/570400457.db2.gz OQHNGIYREJNZLD-VRCTWVPOSA-N -1 0 381.388 2.695 50 30 GFEARM N#Cc1ccc(Cn2cnc([N-]S(=O)(=O)c3cccc4cccnc43)n2)cc1 ZINC000177076612 570518603 /nfs/dbraw/zinc/51/86/03/570518603.db2.gz JZLAOVLXCCNNOS-UHFFFAOYSA-N -1 0 390.428 2.547 50 30 GFEARM O=C([O-])CCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000012800157 570813642 /nfs/dbraw/zinc/81/36/42/570813642.db2.gz VUOSAVKYCPXCCU-JXMROGBWSA-N -1 0 393.848 2.989 50 30 GFEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2cc(OC)cc(OC)c2)s1 ZINC000032891720 570889424 /nfs/dbraw/zinc/88/94/24/570889424.db2.gz WTQFSXAUEJSDDD-UHFFFAOYSA-N -1 0 398.466 2.868 50 30 GFEARM COc1ccc(-c2nc(SCC(=O)NC3CCCCC3)[n-]c(=O)c2C#N)cc1 ZINC000030587724 207371830 /nfs/dbraw/zinc/37/18/30/207371830.db2.gz DTMYLLWIQOSSQK-UHFFFAOYSA-N -1 0 398.488 2.858 50 30 GFEARM COc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1 ZINC000001480925 570242904 /nfs/dbraw/zinc/24/29/04/570242904.db2.gz ZXFMOMORCJXBPO-MRXNPFEDSA-N -1 0 377.356 2.861 50 30 GFEARM CC[C@H]1CN(C(=O)c2cc(C#N)c(=O)[n-]c2C)CCC(=O)N1Cc1ccccc1 ZINC000071767793 570283505 /nfs/dbraw/zinc/28/35/05/570283505.db2.gz RTOUIBWOXPANSD-SFHVURJKSA-N -1 0 392.459 2.621 50 30 GFEARM Cc1ccc(S(=O)(=O)N=C([O-])Nc2nc(CN3CCCC3)cs2)cc1 ZINC000023805609 570372748 /nfs/dbraw/zinc/37/27/48/570372748.db2.gz MJFRFJPPLALGKV-UHFFFAOYSA-N -1 0 380.495 2.762 50 30 GFEARM CCOC(=O)COc1ccccc1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000004738489 570399965 /nfs/dbraw/zinc/39/99/65/570399965.db2.gz UBYYLSSGLXZAHU-SRZZPIQSSA-N -1 0 390.403 2.894 50 30 GFEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101152752 570814552 /nfs/dbraw/zinc/81/45/52/570814552.db2.gz UQDGWSNAJZQNFQ-UVQBRAAOSA-N -1 0 376.365 2.524 50 30 GFEARM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000013135473 654502994 /nfs/dbraw/zinc/50/29/94/654502994.db2.gz HMONOFNZKYWCCG-UHFFFAOYSA-N -1 0 395.234 2.908 50 30 GFEARM CC(=NN1CCOCC1)c1cc(Br)cc(Br)c1[O-] ZINC000254400373 655435376 /nfs/dbraw/zinc/43/53/76/655435376.db2.gz LEYHXDNMTORQCI-UHFFFAOYSA-N -1 0 378.064 2.973 50 30 GFEARM CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000004687028 206227811 /nfs/dbraw/zinc/22/78/11/206227811.db2.gz JPTMKLWAVSFLCA-KRWDZBQOSA-N -1 0 396.468 2.778 50 30 GFEARM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)NC1=S ZINC000001175789 206249050 /nfs/dbraw/zinc/24/90/50/206249050.db2.gz VWGYTNSEJWKGOV-LDADJPATSA-N -1 0 395.484 2.915 50 30 GFEARM Cc1cccc(N2CCN(C(=O)CSc3[n-]c(=O)cc(C)c3C#N)CC2)c1C ZINC000009593162 206793763 /nfs/dbraw/zinc/79/37/63/206793763.db2.gz ZAGNTBYQOYGHFF-UHFFFAOYSA-N -1 0 396.516 2.613 50 30 GFEARM CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000063346546 222067790 /nfs/dbraw/zinc/06/77/90/222067790.db2.gz WYXADVYNESNCLO-UHFFFAOYSA-N -1 0 395.234 2.844 50 30 GFEARM COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000018128995 525392670 /nfs/dbraw/zinc/39/26/70/525392670.db2.gz XOQUMJXCABZEBS-SFHVURJKSA-N -1 0 397.383 2.891 50 30 GFEARM C[C@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000071846762 525911438 /nfs/dbraw/zinc/91/14/38/525911438.db2.gz MMMFMZARSMYKCG-QWHCGFSZSA-N -1 0 396.440 2.993 50 30 GFEARM COc1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc(Br)c1O ZINC000005543950 551098196 /nfs/dbraw/zinc/09/81/96/551098196.db2.gz QGCJOGZZTICXPQ-AYSLTRBKSA-N -1 0 397.176 2.945 50 30 GFEARM C[C@@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000170622842 551636384 /nfs/dbraw/zinc/63/63/84/551636384.db2.gz HNKIEJUITODAQU-GFCCVEGCSA-N -1 0 378.837 2.622 50 30 GFEARM CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004738562 570399952 /nfs/dbraw/zinc/39/99/52/570399952.db2.gz FQWGGIMTNJDSTH-RSFOSLOZSA-N -1 0 397.362 2.604 50 30 GFEARM CCC(C)(C)NC(=O)CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000032882999 570884283 /nfs/dbraw/zinc/88/42/83/570884283.db2.gz KTPARNYTRPVVII-UHFFFAOYSA-N -1 0 386.477 2.714 50 30 GFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(COCC(F)(F)F)cc2)cc1 ZINC000042303692 570889262 /nfs/dbraw/zinc/88/92/62/570889262.db2.gz IJCORSZTMBHSCC-UHFFFAOYSA-N -1 0 398.362 2.756 50 30 GFEARM N=c1[n-]n(C(=O)c2ccccc2)c(N)c1N=Nc1ccc(Br)cc1 ZINC000006060853 209126204 /nfs/dbraw/zinc/12/62/04/209126204.db2.gz ZZSMBTOEOSOUSS-XVMMMKGPSA-N -1 0 385.225 2.832 50 30 GFEARM C=CC[C@@H]1N(c2ccc(Br)cc2)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000004237661 206227351 /nfs/dbraw/zinc/22/73/51/206227351.db2.gz FSANEYMMOLSSOZ-SUKQMUEJSA-N -1 0 390.233 2.765 50 30 GFEARM C=CCc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(OC)c1O ZINC000001129876 206248626 /nfs/dbraw/zinc/24/86/26/206248626.db2.gz KXQBMWJRSZTLQV-UKTHLTGXSA-N -1 0 379.459 2.805 50 30 GFEARM C=CCN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000000907770 206249149 /nfs/dbraw/zinc/24/91/49/206249149.db2.gz NOYINRAGSKXRBR-UHFFFAOYSA-N -1 0 390.417 2.944 50 30 GFEARM COc1cc(/C=C2\Oc3cc(OCC(=O)[O-])ccc3C2=O)cc(OC)c1OC ZINC000012890159 206295043 /nfs/dbraw/zinc/29/50/43/206295043.db2.gz BLCUCBSJNHGPDF-UUASQNMZSA-N -1 0 386.356 2.792 50 30 GFEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058154211 525936152 /nfs/dbraw/zinc/93/61/52/525936152.db2.gz TZHVWDAEFQJTOX-LLVKDONJSA-N -1 0 379.825 2.860 50 30 GFEARM Cc1cc(C)c(/N=C(\c2nn[nH]n2)c2c([O-])c3ccccc3n(C)c2=O)c(C)c1 ZINC000102768242 570292177 /nfs/dbraw/zinc/29/21/77/570292177.db2.gz ONOSCWKNALASDV-PYCFMQQDSA-N -1 0 388.431 2.852 50 30 GFEARM CCCCCCCCCCn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000003209323 570332885 /nfs/dbraw/zinc/33/28/85/570332885.db2.gz UPHFPDRCNUAEFX-UHFFFAOYSA-N -1 0 396.513 2.741 50 30 GFEARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCCCC#N ZINC000006441293 570423667 /nfs/dbraw/zinc/42/36/67/570423667.db2.gz MVTDPXWCAGXPGO-GHRIWEEISA-N -1 0 377.400 2.839 50 30 GFEARM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccccc1OCC(=O)[O-] ZINC000102045786 570839392 /nfs/dbraw/zinc/83/93/92/570839392.db2.gz HDUBITTWHJNGIQ-OAHLLOKOSA-N -1 0 383.404 2.779 50 30 GFEARM CC[C@@H](NC(=O)CSc1[n-]c(=O)nc(C)c1C#N)c1ccc(Cl)cc1 ZINC000032905019 570903945 /nfs/dbraw/zinc/90/39/45/570903945.db2.gz YUAACVZOSUZHNM-CQSZACIVSA-N -1 0 376.869 2.963 50 30 GFEARM CCOc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(Br)c1O ZINC000003582322 654442594 /nfs/dbraw/zinc/44/25/94/654442594.db2.gz XBKCXCSUIVZDQO-RGDDUWESSA-N -1 0 395.205 2.782 50 30 GFEARM CCOc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(Br)c1O ZINC000003582333 654442897 /nfs/dbraw/zinc/44/28/97/654442897.db2.gz XBKCXCSUIVZDQO-MBVDDHJVSA-N -1 0 395.205 2.782 50 30 GFEARM O=C1c2ccc([O-])c(CN3CCOCC3)c2O/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000002228473 209228617 /nfs/dbraw/zinc/22/86/17/209228617.db2.gz ANKPFGSSZDLWJA-WQRHYEAKSA-N -1 0 382.372 2.749 50 30 GFEARM C=CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1 ZINC000014010975 209166440 /nfs/dbraw/zinc/16/64/40/209166440.db2.gz DMUSEUJBMHHKNT-PDGQHHTCSA-N -1 0 379.416 2.751 50 30 GFEARM Cc1cc(Br)ccc1NC(=O)CSc1[n-]c(=O)nc(C)c1C#N ZINC000032776391 210587019 /nfs/dbraw/zinc/58/70/19/210587019.db2.gz YVXQWYDNPUHAIS-UHFFFAOYSA-N -1 0 393.266 2.752 50 30 GFEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)N[C@H](CC)Cc2c[nH]c3ccccc23)C1=O ZINC000020329028 518838455 /nfs/dbraw/zinc/83/84/55/518838455.db2.gz WEPCVCHPUPVLIE-QLENYVDCSA-N -1 0 380.448 2.617 50 30 GFEARM C=CCOc1ccc(-c2nnc(CCC(=O)N[C@@H](C)CC)c(=O)[n-]2)cc1OC ZINC000034766150 519008619 /nfs/dbraw/zinc/00/86/19/519008619.db2.gz IJEDJJYVUDFHSM-ZDUSSCGKSA-N -1 0 386.452 2.665 50 30 GFEARM COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCCCCC(=O)[O-])c(OC)c1 ZINC000020112828 525227494 /nfs/dbraw/zinc/22/74/94/525227494.db2.gz OGAKEOQWGPMAAJ-GOSISDBHSA-N -1 0 391.420 2.633 50 30 GFEARM N#CCCN1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000045967778 526461085 /nfs/dbraw/zinc/46/10/85/526461085.db2.gz NQXQWCFBPJXGIE-UHFFFAOYSA-N -1 0 378.432 2.673 50 30 GFEARM COc1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c([N+](=O)[O-])c1 ZINC000008398168 570531100 /nfs/dbraw/zinc/53/11/00/570531100.db2.gz JPPZUFIKUUOUIW-MNDPQUGUSA-N -1 0 398.335 2.702 50 30 GFEARM Cc1nc(=O)[n-]c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1C#N ZINC000032776377 570807023 /nfs/dbraw/zinc/80/70/23/570807023.db2.gz WWWFNGRMTYENMU-PGBBXINNSA-N -1 0 386.521 2.763 50 30 GFEARM COc1ccc(/C=N/N=C2\S[C@@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1 ZINC000004159201 570965679 /nfs/dbraw/zinc/96/56/79/570965679.db2.gz TUXQJGHLHDZSOD-ZWHRXLKRSA-N -1 0 399.428 2.714 50 30 GFEARM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(N(C)C)ccc3C#N)ccc21 ZINC000084718335 571032997 /nfs/dbraw/zinc/03/29/97/571032997.db2.gz LTBIKXLZLWHGSZ-UHFFFAOYSA-N -1 0 398.488 2.724 50 30 GFEARM Cc1cc(C)nc(N=C([N-]C(=O)C(F)(F)F)Nc2ccc3c(c2)OCCO3)n1 ZINC000002423012 209363101 /nfs/dbraw/zinc/36/31/01/209363101.db2.gz UUNSQMYPLQZBSO-UHFFFAOYSA-N -1 0 395.341 2.643 50 30 GFEARM CCN1C(=O)C[C@H](C(=O)NC)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000100637701 211389484 /nfs/dbraw/zinc/38/94/84/211389484.db2.gz LTVKKSZZJPMCKC-QBHMUIJLSA-N -1 0 376.265 2.787 50 30 GFEARM C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OCC)c2)SC1=S ZINC000015016603 518826719 /nfs/dbraw/zinc/82/67/19/518826719.db2.gz ZGXYEDLSEKJVDB-ZROIWOOFSA-N -1 0 379.459 2.936 50 30 GFEARM COC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000100281679 522076794 /nfs/dbraw/zinc/07/67/94/522076794.db2.gz WIXFZKNYTQEESX-CAPFRKAQSA-N -1 0 381.348 2.572 50 30 GFEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(CN3CCCC3=O)cc2)n1 ZINC000006607511 526426435 /nfs/dbraw/zinc/42/64/35/526426435.db2.gz XYIHEWMTZLGHOA-MRXNPFEDSA-N -1 0 397.456 2.607 50 30 GFEARM O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=N[O-] ZINC000033353137 527341552 /nfs/dbraw/zinc/34/15/52/527341552.db2.gz YTLLBOORAOBVSE-UHFFFAOYSA-N -1 0 375.209 2.526 50 30 GFEARM COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc(OC)c1C ZINC000048559923 570253225 /nfs/dbraw/zinc/25/32/25/570253225.db2.gz USTPVBCUIJUXNW-UHFFFAOYSA-N -1 0 377.418 2.908 50 30 GFEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000013615996 570661834 /nfs/dbraw/zinc/66/18/34/570661834.db2.gz CYKPVHTVEHRXNF-XNTDXEJSSA-N -1 0 381.344 2.811 50 30 GFEARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000004696487 570836721 /nfs/dbraw/zinc/83/67/21/570836721.db2.gz SBONGUQNSZTFBS-VIZOYTHASA-N -1 0 383.791 2.980 50 30 GFEARM N#Cc1c(SCC(=O)NCC(=O)[O-])nc2c(c1C(F)(F)F)CCCCC2 ZINC000008382619 209777504 /nfs/dbraw/zinc/77/75/04/209777504.db2.gz CYNMGDDIVUCWPZ-UHFFFAOYSA-N -1 0 387.383 2.534 50 30 GFEARM CC(=O)C1=C(O)C(=O)N(CCCC(=O)[O-])[C@H]1c1ccc(Br)cc1 ZINC000001236838 209317651 /nfs/dbraw/zinc/31/76/51/209317651.db2.gz MDYOKEIWJILVGL-AWEZNQCLSA-N -1 0 382.210 2.598 50 30 GFEARM COc1ccc(/C=C2\Oc3cc(OCC(=O)[O-])ccc3C2=O)c(OC)c1OC ZINC000012890034 209235872 /nfs/dbraw/zinc/23/58/72/209235872.db2.gz XTQQTKSKFOECKX-PXNMLYILSA-N -1 0 386.356 2.792 50 30 GFEARM C=CCOc1ccc(Br)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000033461920 519019112 /nfs/dbraw/zinc/01/91/12/519019112.db2.gz LNYXKEYBPJLEHR-HYXAFXHYSA-N -1 0 394.181 2.881 50 30 GFEARM Cc1ccccc1COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000005648395 525172886 /nfs/dbraw/zinc/17/28/86/525172886.db2.gz JPKYNZFPKNGIRP-RYFGYPJOSA-N -1 0 397.456 2.970 50 30 GFEARM O=C([N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000079306245 527160526 /nfs/dbraw/zinc/16/05/26/527160526.db2.gz RATRLVVXXXFBKP-UHFFFAOYSA-N -1 0 393.896 2.707 50 30 GFEARM O=C(C=Cc1c[nH]c2ccccc12)c1c([O-])[nH]c(=O)n(Cc2ccccc2)c1=O ZINC000017044188 527601339 /nfs/dbraw/zinc/60/13/39/527601339.db2.gz PYHXODCTNBUZDP-ZHACJKMWSA-N -1 0 387.395 2.668 50 30 GFEARM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000170651627 528717353 /nfs/dbraw/zinc/71/73/53/528717353.db2.gz BFRYKJJPKQHGHJ-SECBINFHSA-N -1 0 389.271 2.626 50 30 GFEARM O=C(CCS(=O)(=O)C1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048418122 570250862 /nfs/dbraw/zinc/25/08/62/570250862.db2.gz PGVPNHVIRVXCME-UHFFFAOYSA-N -1 0 379.887 2.733 50 30 GFEARM NS(=O)(=O)c1ccc(-c2ccc(C=NNc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000005531100 570629731 /nfs/dbraw/zinc/62/97/31/570629731.db2.gz PCJWZEKOMFNPKQ-RGVLZGJSSA-N -1 0 385.401 2.738 50 30 GFEARM CCOC(=O)N=c1[n-]nc(SCC(=O)NCc2ccccc2OC)s1 ZINC000032891694 570889391 /nfs/dbraw/zinc/88/93/91/570889391.db2.gz ZPCAIHYCXASJSQ-UHFFFAOYSA-N -1 0 382.467 2.537 50 30 GFEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000046929311 570937503 /nfs/dbraw/zinc/93/75/03/570937503.db2.gz ZWBVSDRGNKKLNA-UHFFFAOYSA-N -1 0 386.429 2.635 50 30 GFEARM Cc1nn(C)cc1C(=O)/C=C\c1ccc(OCC(=O)[O-])c(Br)c1 ZINC000606442974 677674379 /nfs/dbraw/zinc/67/43/79/677674379.db2.gz CFAHFEPZTGSXIL-HYXAFXHYSA-N -1 0 379.210 2.851 50 30 GFEARM CCOc1cc(/C=N/n2c([O-])nc3c4cc(OC)ccc4[nH]c3c2=O)ccc1O ZINC000002292613 209355221 /nfs/dbraw/zinc/35/52/21/209355221.db2.gz LYCWLBTWZMEEOH-UFFVCSGVSA-N -1 0 394.387 2.579 50 30 GFEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000002133537 209347082 /nfs/dbraw/zinc/34/70/82/209347082.db2.gz BSPUTPCDIYKLEV-LDADJPATSA-N -1 0 375.406 2.836 50 30 GFEARM C=CCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c2ccccc21 ZINC000016735761 209167401 /nfs/dbraw/zinc/16/74/01/209167401.db2.gz GZXYZSQVPDRVQP-PFONDFGASA-N -1 0 388.470 2.655 50 30 GFEARM CC(C)(O)C#Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000004687029 209137776 /nfs/dbraw/zinc/13/77/76/209137776.db2.gz JPTMKLWAVSFLCA-QGZVFWFLSA-N -1 0 396.468 2.778 50 30 GFEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000077424011 211132553 /nfs/dbraw/zinc/13/25/53/211132553.db2.gz YDEGUBLOLRQKPA-CQSZACIVSA-N -1 0 375.432 2.939 50 30 GFEARM CC[C@@H](C)NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[n-]1 ZINC000028616565 210530609 /nfs/dbraw/zinc/53/06/09/210530609.db2.gz OKTUMCZPTONGNG-SNVBAGLBSA-N -1 0 376.869 2.969 50 30 GFEARM CC1(C)Cc2c(C#N)c(SCC(=O)[O-])nc(N3CCOCC3)c2CS1 ZINC000195750417 534944273 /nfs/dbraw/zinc/94/42/73/534944273.db2.gz HAPUODIFLHGIQO-UHFFFAOYSA-N -1 0 379.507 2.534 50 30 GFEARM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)c1 ZINC000032946918 570321819 /nfs/dbraw/zinc/32/18/19/570321819.db2.gz NOCZLTIKLMXGKE-UHFFFAOYSA-N -1 0 392.459 2.981 50 30 GFEARM N#Cc1c2c(sc1NC(=O)CSc1nc3c(c(=O)[nH]1)CCC3)CCCC2 ZINC000011905457 570445786 /nfs/dbraw/zinc/44/57/86/570445786.db2.gz WZSGYTFIDICYOA-UHFFFAOYSA-N -1 0 386.502 2.801 50 30 GFEARM C=CCn1c(SCC(=O)[O-])nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000002298089 209169696 /nfs/dbraw/zinc/16/96/96/209169696.db2.gz KDJVSJKQCWOXCU-LLVKDONJSA-N -1 0 380.491 2.918 50 30 GFEARM CCNC(=S)N=NCc1cc(Br)c([O-])c(Br)c1O ZINC000055416893 521509214 /nfs/dbraw/zinc/50/92/14/521509214.db2.gz VZEJIWBPZQGRAT-CPSFFCFKSA-N -1 0 397.092 2.852 50 30 GFEARM COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCC(=O)[O-])c(OC)c1)C2 ZINC000085876585 523023354 /nfs/dbraw/zinc/02/33/54/523023354.db2.gz XMPQPLOKYPSCTI-NSIKDUERSA-N -1 0 384.384 2.998 50 30 GFEARM CCOc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)c1c(C)noc1C)=C2 ZINC000048491638 570252600 /nfs/dbraw/zinc/25/26/00/570252600.db2.gz SFBUXBAUOYEEFT-UHFFFAOYSA-N -1 0 378.406 2.811 50 30 GFEARM Cc1ccc(COc2ccc(/C=N/N=C3\NC(=O)[C@@H](CC(=O)[O-])S3)cc2)cc1 ZINC000004755795 570403365 /nfs/dbraw/zinc/40/33/65/570403365.db2.gz NHYOVTUSLDSGKB-LASGFXPTSA-N -1 0 397.456 2.970 50 30 GFEARM COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1Cn1cc([N+](=O)[O-])cn1 ZINC000004598841 570631591 /nfs/dbraw/zinc/63/15/91/570631591.db2.gz DVQCMVVPFJRFAG-AWQFTUOYSA-N -1 0 395.375 2.992 50 30 GFEARM C[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2C(N)=O)C1 ZINC000007409984 209730460 /nfs/dbraw/zinc/73/04/60/209730460.db2.gz GKFXFIFWCBDEKC-JTQLQIEISA-N -1 0 375.475 2.644 50 30 GFEARM COc1cccc(-c2nc(SCC(=O)NCc3ccco3)[n-]c(=O)c2C#N)c1 ZINC000002751123 212062432 /nfs/dbraw/zinc/06/24/32/212062432.db2.gz OMMYLGBWRWCBFO-UHFFFAOYSA-N -1 0 396.428 2.731 50 30 GFEARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C2CCCCC2)cc1 ZINC000095367707 518400880 /nfs/dbraw/zinc/40/08/80/518400880.db2.gz WGJQXAGTCQMGKT-GFCCVEGCSA-N -1 0 380.466 2.619 50 30 GFEARM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528969205 564811599 /nfs/dbraw/zinc/81/15/99/564811599.db2.gz PPKIRFAQRKEZJN-HBNTYKKESA-N -1 0 378.251 2.939 50 30 GFEARM Cc1cc(/C=N/NC(N)=S)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000004739812 570400676 /nfs/dbraw/zinc/40/06/76/570400676.db2.gz CNBGKYFWOVBGJF-UFWORHAWSA-N -1 0 376.507 2.900 50 30 GFEARM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000006786739 570592546 /nfs/dbraw/zinc/59/25/46/570592546.db2.gz ZMSCULNTWSCEKX-LAFOYAEKSA-N -1 0 395.411 2.982 50 30 GFEARM CC[C@H](NC(=O)CSc1[n-]c(=O)nc(C)c1C#N)c1ccc(Cl)cc1 ZINC000032905020 570903939 /nfs/dbraw/zinc/90/39/39/570903939.db2.gz YUAACVZOSUZHNM-AWEZNQCLSA-N -1 0 376.869 2.963 50 30 GFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)c2ccco2)C(C)C)c(C)c1 ZINC000048475026 230934561 /nfs/dbraw/zinc/93/45/61/230934561.db2.gz LDLPRDOOSDYODF-MRXNPFEDSA-N -1 0 378.450 2.996 50 30 GFEARM CC(=O)C1=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]1c1ccc(Br)cc1 ZINC000001236839 209317490 /nfs/dbraw/zinc/31/74/90/209317490.db2.gz MDYOKEIWJILVGL-CQSZACIVSA-N -1 0 382.210 2.598 50 30 GFEARM Cc1[n-]n(S(=O)(=O)Cc2ccccc2)c(=O)c1N=Nc1ccccc1Cl ZINC000100106946 520891098 /nfs/dbraw/zinc/89/10/98/520891098.db2.gz GJUMZMVCPVOWQC-SILNSSARSA-N -1 0 390.852 2.856 50 30 GFEARM COC(=O)C=C1SC(=N[N-]c2nc(C)cc(C)n2)N(c2ccccc2)C1=O ZINC000094992771 522742896 /nfs/dbraw/zinc/74/28/96/522742896.db2.gz PWNSRJWCCFCGGK-YNBGFKIQSA-N -1 0 383.433 2.613 50 30 GFEARM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069284055 525905875 /nfs/dbraw/zinc/90/58/75/525905875.db2.gz FCSVRZGTVFGZSB-MNOVXSKESA-N -1 0 392.271 2.678 50 30 GFEARM COc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1 ZINC000001480924 570242880 /nfs/dbraw/zinc/24/28/80/570242880.db2.gz ZXFMOMORCJXBPO-INIZCTEOSA-N -1 0 377.356 2.861 50 30 GFEARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C#N)ccc1F ZINC000023416743 570361701 /nfs/dbraw/zinc/36/17/01/570361701.db2.gz PWDWWXSMPSUIKG-NSHDSACASA-N -1 0 378.381 2.704 50 30 GFEARM C#Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000024346765 570401564 /nfs/dbraw/zinc/40/15/64/570401564.db2.gz GPVYMGIPISHCBX-UHFFFAOYSA-N -1 0 380.219 2.929 50 30 GFEARM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)c1 ZINC000006623208 570506890 /nfs/dbraw/zinc/50/68/90/570506890.db2.gz IMVULYCTHQBTCI-UHFFFAOYSA-N -1 0 381.413 2.882 50 30 GFEARM CC(C)C(=O)Nc1ccc2nc(N3CCN(CCC#N)CC3)cc(C(=O)[O-])c2c1 ZINC000033010358 570622113 /nfs/dbraw/zinc/62/21/13/570622113.db2.gz NBCUZPOZWWYMHM-UHFFFAOYSA-N -1 0 395.463 2.563 50 30 GFEARM C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCc4c3cnn4C)cc2[n-]c1=S ZINC000012545108 570845957 /nfs/dbraw/zinc/84/59/57/570845957.db2.gz ONZHZOQKZAZYKM-HNNXBMFYSA-N -1 0 395.488 2.786 50 30 GFEARM COc1ccc(N=c2scc([O-])n2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000095351688 655029051 /nfs/dbraw/zinc/02/90/51/655029051.db2.gz MXANCGYEVCJWFM-UHFFFAOYSA-N -1 0 380.422 2.786 50 30 GFEARM C=CCN1C(=O)/C(=C\c2cccc(OCC)c2OCC(=O)[O-])SC1=S ZINC000004739756 209139287 /nfs/dbraw/zinc/13/92/87/209139287.db2.gz WLZULZXXSZUOQU-UKTHLTGXSA-N -1 0 379.459 2.936 50 30 GFEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091817925 211208903 /nfs/dbraw/zinc/20/89/03/211208903.db2.gz OFMPWQQVNZXOCJ-JOCHJYFZSA-N -1 0 393.443 2.769 50 30 GFEARM CS(=O)(=O)c1ncc(Cl)c(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC000003216619 220610556 /nfs/dbraw/zinc/61/05/56/220610556.db2.gz ZFPTXBBPWOVPDY-NSHDSACASA-N -1 0 386.820 2.572 50 30 GFEARM C=CCn1c(SCC(=O)[O-])nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000072328143 519229375 /nfs/dbraw/zinc/22/93/75/519229375.db2.gz WTMJOQMLZVAGEI-JTQLQIEISA-N -1 0 380.857 2.785 50 30 GFEARM CN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccccc1 ZINC000100261566 523724330 /nfs/dbraw/zinc/72/43/30/523724330.db2.gz JMCVSEILMAMXQL-RLBWVDARSA-N -1 0 383.429 2.975 50 30 GFEARM C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000095447836 525918613 /nfs/dbraw/zinc/91/86/13/525918613.db2.gz ZZODYGZUZFBLJC-CQSZACIVSA-N -1 0 391.449 2.902 50 30 GFEARM Cc1ccc(C(=O)CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000020077008 526018535 /nfs/dbraw/zinc/01/85/35/526018535.db2.gz FMAYHLLRNOEZHZ-RGEXLXHISA-N -1 0 386.320 2.937 50 30 GFEARM C=CCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000002973718 654439177 /nfs/dbraw/zinc/43/91/77/654439177.db2.gz GZSKVHLBOUNQML-UHFFFAOYSA-N -1 0 382.283 2.904 50 30 GFEARM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(cc(C)c(=O)n2C)c1 ZINC000254286814 222744844 /nfs/dbraw/zinc/74/48/44/222744844.db2.gz UEMQPCYDWCSVCU-UHFFFAOYSA-N -1 0 383.429 2.528 50 30 in-vitro GFEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000842114 212189045 /nfs/dbraw/zinc/18/90/45/212189045.db2.gz INEBCABROWTEGI-INIZCTEOSA-N -1 0 382.328 2.782 50 30 GFEARM C=CCn1c(=O)cc([O-])nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000002289875 212101049 /nfs/dbraw/zinc/10/10/49/212101049.db2.gz HVEAMAUJHRJVNM-UHFFFAOYSA-N -1 0 396.266 2.628 50 30 GFEARM C[C@H](NS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000005840384 220902485 /nfs/dbraw/zinc/90/24/85/220902485.db2.gz FQBUNYLGZVLAHO-QNCMIEPLSA-N -1 0 393.848 2.988 50 30 GFEARM C=CCN(Cc1ccccc1OCC)C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000055109224 518787309 /nfs/dbraw/zinc/78/73/09/518787309.db2.gz IIDCDCMWRVGDTH-UHFFFAOYSA-N -1 0 393.443 2.970 50 30 GFEARM CC(=O)NCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000101478509 519663091 /nfs/dbraw/zinc/66/30/91/519663091.db2.gz RHGRVMBEVRJHSC-GHNGSUTGSA-N -1 0 398.846 2.898 50 30 GFEARM COc1cc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2cc(C)on2)ccc1O ZINC000102886540 522953012 /nfs/dbraw/zinc/95/30/12/522953012.db2.gz IVSRBRWWFICGOK-HVESIFNPSA-N -1 0 396.355 2.917 50 30 GFEARM Cc1ccccc1COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000004801842 525172592 /nfs/dbraw/zinc/17/25/92/525172592.db2.gz JPKYNZFPKNGIRP-LASGFXPTSA-N -1 0 397.456 2.970 50 30 GFEARM N#CC1=C([O-])NC(N2CCN(c3ccc(Cl)cc3)CC2)=NC12CCCCC2 ZINC000006672946 570487588 /nfs/dbraw/zinc/48/75/88/570487588.db2.gz RSFDCLXPJAMAHM-QGZVFWFLSA-N -1 0 385.899 2.790 50 30 GFEARM COc1ccc(-n2c(=O)[nH]c([O-])c(C=Nc3ccc(C)c(Cl)c3)c2=O)cc1 ZINC000101581513 570826883 /nfs/dbraw/zinc/82/68/83/570826883.db2.gz LALDQSFUIQKYEV-UFFVCSGVSA-N -1 0 385.807 2.952 50 30 GFEARM CC(C)(O)C#Cc1ccc(C(=O)N[C@H](CSCc2ccccc2)C(=O)[O-])cc1 ZINC000004687026 570831799 /nfs/dbraw/zinc/83/17/99/570831799.db2.gz DDVADGNCURMPKL-LJQANCHMSA-N -1 0 397.496 2.925 50 30 GFEARM Cc1ccc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(N)=O)c2)s1 ZINC000079053142 655006557 /nfs/dbraw/zinc/00/65/57/655006557.db2.gz DZGMETZFTYNTKL-MNOVXSKESA-N -1 0 382.438 2.743 50 30 GFEARM COc1ccc(C=NNc2nnc(Cc3ccc(OC)c(OC)c3)c(=O)[n-]2)cc1 ZINC000008830074 230869254 /nfs/dbraw/zinc/86/92/54/230869254.db2.gz CIFACZCOCKENMB-CIAFOILYSA-N -1 0 395.419 2.640 50 30 GFEARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1 ZINC000032946596 221755622 /nfs/dbraw/zinc/75/56/22/221755622.db2.gz HKNOVGXOOZPKNW-UHFFFAOYSA-N -1 0 392.459 2.981 50 30 GFEARM CS(=O)(=O)[N-]C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000064666231 222078055 /nfs/dbraw/zinc/07/80/55/222078055.db2.gz OAGBTEGAGVHVFG-UHFFFAOYSA-N -1 0 395.277 2.833 50 30 GFEARM COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)c2cn(C)c3ccccc23)cc1 ZINC000095481345 534227686 /nfs/dbraw/zinc/22/76/86/534227686.db2.gz KAVJSNXUEWHFBX-UHFFFAOYSA-N -1 0 387.417 2.626 50 30 GFEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000040129766 524185178 /nfs/dbraw/zinc/18/51/78/524185178.db2.gz HPOSNVZPZVDELB-UHFFFAOYSA-N -1 0 386.429 2.650 50 30 GFEARM COc1ccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000018099103 525226067 /nfs/dbraw/zinc/22/60/67/525226067.db2.gz XOQUMJXCABZEBS-GOSISDBHSA-N -1 0 397.383 2.891 50 30 GFEARM O=C1C(=O)N(c2ncccn2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccco1 ZINC000001153638 570249519 /nfs/dbraw/zinc/24/95/19/570249519.db2.gz APKNBHCALFKOCW-HNNXBMFYSA-N -1 0 392.327 2.761 50 30 GFEARM C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000048470208 570252205 /nfs/dbraw/zinc/25/22/05/570252205.db2.gz INKCFVPIFHHFIT-ZDUSSCGKSA-N -1 0 377.418 2.708 50 30 GFEARM COc1ccc2c(c1)OC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1)C2 ZINC000050206973 570330495 /nfs/dbraw/zinc/33/04/95/570330495.db2.gz NCSDAMGQIJBIRD-CYBMUJFWSA-N -1 0 396.852 2.781 50 30 GFEARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000004738604 570400233 /nfs/dbraw/zinc/40/02/33/570400233.db2.gz LEUBRDQZKOZADV-VYXQJKENSA-N -1 0 396.359 2.513 50 30 GFEARM C=CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003043668 570530957 /nfs/dbraw/zinc/53/09/57/570530957.db2.gz PJKFXSUFACJDDJ-UHFFFAOYSA-N -1 0 395.440 2.752 50 30 GFEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000042306630 570889273 /nfs/dbraw/zinc/88/92/73/570889273.db2.gz QBQSAAVTKUIETE-UHFFFAOYSA-N -1 0 388.832 2.634 50 30 GFEARM C[C@@H](CC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1)n1cccc1 ZINC000089894542 570918263 /nfs/dbraw/zinc/91/82/63/570918263.db2.gz ICXUNMKNAXFXOX-HNNXBMFYSA-N -1 0 378.450 2.859 50 30 GFEARM O=C(Cn1cc(-c2ccccc2)nn1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000084562935 571023770 /nfs/dbraw/zinc/02/37/70/571023770.db2.gz AIWPUZLNEFFDNV-UHFFFAOYSA-N -1 0 376.825 2.944 50 30 GFEARM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)C1=Cc2ccccc2OC1 ZINC000071804258 655000535 /nfs/dbraw/zinc/00/05/35/655000535.db2.gz XCDJYKWAZMDMGD-UHFFFAOYSA-N -1 0 379.415 2.656 50 30 GFEARM Cc1ccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(N)=O)c2)s1 ZINC000079053147 655006775 /nfs/dbraw/zinc/00/67/75/655006775.db2.gz DZGMETZFTYNTKL-QWRGUYRKSA-N -1 0 382.438 2.743 50 30 GFEARM C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C1=O ZINC000004694805 212079437 /nfs/dbraw/zinc/07/94/37/212079437.db2.gz CNOPCJKZLXPOPW-KPKJPENVSA-N -1 0 396.218 2.582 50 30 GFEARM CC(C)(O)C#Cc1ccccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000004433162 212079038 /nfs/dbraw/zinc/07/90/38/212079038.db2.gz DECVGYJDVSFOTN-FQEVSTJZSA-N -1 0 390.439 2.716 50 30 GFEARM COc1cccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)c1 ZINC000102714994 524106721 /nfs/dbraw/zinc/10/67/21/524106721.db2.gz HVXNYROCHVKJCH-IBOXJLQUSA-N -1 0 377.356 2.705 50 30 GFEARM N=c1[n-]n(C(=O)c2ccncc2)c(N)c1N=Nc1ccc(Cl)cc1Cl ZINC000025176278 526839450 /nfs/dbraw/zinc/83/94/50/526839450.db2.gz UKOXOFBIVUPGEW-OQRSZNDZSA-N -1 0 376.207 2.771 50 30 GFEARM O=C([O-])CCCNC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000006659830 527585646 /nfs/dbraw/zinc/58/56/46/527585646.db2.gz GHZWDVJPYYRSLX-YBEGLDIGSA-N -1 0 387.413 2.724 50 30 GFEARM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000042338970 528360764 /nfs/dbraw/zinc/36/07/64/528360764.db2.gz FCYCGJOVYWYBAH-UHFFFAOYSA-N -1 0 377.418 2.940 50 30 GFEARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=NNc1ccc(Br)cc1 ZINC000005650183 551097975 /nfs/dbraw/zinc/09/79/75/551097975.db2.gz RHLRSUUDSMLWBQ-MOSHPQCFSA-N -1 0 387.193 2.500 50 30 GFEARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)COC2 ZINC000050204911 570330430 /nfs/dbraw/zinc/33/04/30/570330430.db2.gz OULULWDPLWVUKO-UHFFFAOYSA-N -1 0 375.402 2.572 50 30 GFEARM O=C([O-])C[C@H]1S/C(=N/N=C/c2ccccc2OCc2ccccc2)NC1=O ZINC000004755620 570403310 /nfs/dbraw/zinc/40/33/10/570403310.db2.gz IGNFJLHAPOZUAP-MBTVCVBTSA-N -1 0 383.429 2.662 50 30 GFEARM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCN(C(C)=O)CC3)cc2)c1[O-] ZINC000004608350 570662498 /nfs/dbraw/zinc/66/24/98/570662498.db2.gz RCPKMOIUKNZEOG-FYJGNVAPSA-N -1 0 398.419 2.728 50 30 GFEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000001794327 212257122 /nfs/dbraw/zinc/25/71/22/212257122.db2.gz FJNXIBCLXDLICB-BJMVGYQFSA-N -1 0 389.389 2.912 50 30 GFEARM COc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OCC(=O)[O-] ZINC000004196359 220692972 /nfs/dbraw/zinc/69/29/72/220692972.db2.gz RPKZPIJCYDUSND-HXUWFJFHSA-N -1 0 396.399 2.513 50 30 GFEARM O=C(CCOCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000064358420 222071301 /nfs/dbraw/zinc/07/13/01/222071301.db2.gz YWDYHNALGBNSOT-UHFFFAOYSA-N -1 0 380.319 2.988 50 30 GFEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000077424014 222280656 /nfs/dbraw/zinc/28/06/56/222280656.db2.gz YDEGUBLOLRQKPA-AWEZNQCLSA-N -1 0 375.432 2.939 50 30 GFEARM C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000103817581 518260654 /nfs/dbraw/zinc/26/06/54/518260654.db2.gz ZKTJXFXLJHOHTK-UHFFFAOYSA-N -1 0 377.469 2.806 50 30 GFEARM C=CCn1c(C)nnc1SCc1cc(=O)[nH]c2sc(C(=O)[O-])c(C)c21 ZINC000013417560 519174527 /nfs/dbraw/zinc/17/45/27/519174527.db2.gz PMOKHTQOKAEUDQ-UHFFFAOYSA-N -1 0 376.463 2.974 50 30 GFEARM COc1cc(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)cc(OC)c1O ZINC000032608641 522008378 /nfs/dbraw/zinc/00/83/78/522008378.db2.gz SZLBVACQNXYPQT-UKWGHVSLSA-N -1 0 378.392 2.983 50 30 GFEARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)Cc1ccccc1C ZINC000040129802 524672975 /nfs/dbraw/zinc/67/29/75/524672975.db2.gz RTJZKUAUWZQMTM-UHFFFAOYSA-N -1 0 376.434 2.850 50 30 GFEARM Cc1ccc(N2C(=O)C(=CNc3ccc(C)cc3[N+](=O)[O-])C(=O)[N-]C2=S)cc1 ZINC000100200079 524927610 /nfs/dbraw/zinc/92/76/10/524927610.db2.gz JHWCAJAXNVXCIF-ANKPHQHTSA-N -1 0 396.428 2.978 50 30 GFEARM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000069282201 525915508 /nfs/dbraw/zinc/91/55/08/525915508.db2.gz FKEGQAPNTXYUFF-CMPLNLGQSA-N -1 0 392.271 2.678 50 30 GFEARM C[C@@H](C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000054426969 526235571 /nfs/dbraw/zinc/23/55/71/526235571.db2.gz MZBQTWWJFAYMKJ-HHQWOOOKSA-N -1 0 397.449 2.945 50 30 GFEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccnc2)s1 ZINC000102750292 526354888 /nfs/dbraw/zinc/35/48/88/526354888.db2.gz OVDIPTRTYSHBGP-MNWMYKRDSA-N -1 0 384.442 2.929 50 30 GFEARM N#CCCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000033078740 526460857 /nfs/dbraw/zinc/46/08/57/526460857.db2.gz KWOLSRFQEQFFNW-UHFFFAOYSA-N -1 0 378.432 2.673 50 30 GFEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000019794388 527589711 /nfs/dbraw/zinc/58/97/11/527589711.db2.gz QJNAJPMPXOWBGF-QGZVFWFLSA-N -1 0 396.355 2.648 50 30 GFEARM COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000048461610 551156203 /nfs/dbraw/zinc/15/62/03/551156203.db2.gz LOYOAUDGXQZIBE-UHFFFAOYSA-N -1 0 383.809 2.813 50 30 GFEARM COc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc([N+](=O)[O-])c1[O-] ZINC000036247109 570398225 /nfs/dbraw/zinc/39/82/25/570398225.db2.gz CTESQEDXBDQVGC-QGZVFWFLSA-N -1 0 383.360 2.663 50 30 GFEARM N#Cc1cn(CCSc2cc(C(F)(F)F)nc3ccccc32)c(=O)[n-]c1=O ZINC000001039332 212208196 /nfs/dbraw/zinc/20/81/96/212208196.db2.gz ZVIOMIOMTARFDS-UHFFFAOYSA-N -1 0 392.362 2.768 50 30 GFEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)N[C@@H](CC)Cc2c[nH]c3ccccc23)C1=O ZINC000020329023 518839359 /nfs/dbraw/zinc/83/93/59/518839359.db2.gz WEPCVCHPUPVLIE-LUJRCDHRSA-N -1 0 380.448 2.617 50 30 GFEARM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc1 ZINC000006239960 570347453 /nfs/dbraw/zinc/34/74/53/570347453.db2.gz NENYKDIPMCOCRE-LYHOESIGSA-N -1 0 381.384 2.592 50 30 GFEARM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc1 ZINC000006786758 570592631 /nfs/dbraw/zinc/59/26/31/570592631.db2.gz NENYKDIPMCOCRE-VZCCSQPZSA-N -1 0 381.384 2.592 50 30 GFEARM COc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)ccc1OC(=O)c1ccccc1 ZINC000001918389 570826046 /nfs/dbraw/zinc/82/60/46/570826046.db2.gz JSOZUOHSKJRHRA-RGVLZGJSSA-N -1 0 396.428 2.719 50 30 GFEARM COC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000083891315 570976373 /nfs/dbraw/zinc/97/63/73/570976373.db2.gz QKLOBAUIWRLGAI-UHFFFAOYSA-N -1 0 389.838 2.647 50 30 GFEARM C=CC[C@H]1N(c2ccc(Br)cc2)C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000095495805 570996252 /nfs/dbraw/zinc/99/62/52/570996252.db2.gz FSANEYMMOLSSOZ-VFCJXBEMSA-N -1 0 390.233 2.765 50 30 GFEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000084638149 571028708 /nfs/dbraw/zinc/02/87/08/571028708.db2.gz JTMRKVPTXBJQII-UHFFFAOYSA-N -1 0 385.367 2.817 50 30 GFEARM COc1ccc(/C=N\N=C2/S[C@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1 ZINC000013658809 221279767 /nfs/dbraw/zinc/27/97/67/221279767.db2.gz TUXQJGHLHDZSOD-VPKNRAINSA-N -1 0 399.428 2.714 50 30 GFEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095497224 222331492 /nfs/dbraw/zinc/33/14/92/222331492.db2.gz PHRQOGODXVXCAB-INIZCTEOSA-N -1 0 379.464 2.984 50 30 GFEARM COC(=O)c1cccc(CS(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)c1 ZINC000089562683 570493729 /nfs/dbraw/zinc/49/37/29/570493729.db2.gz IPMCQQPBAADDIE-UHFFFAOYSA-N -1 0 397.503 2.796 50 30 GFEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101152749 570814420 /nfs/dbraw/zinc/81/44/20/570814420.db2.gz UQDGWSNAJZQNFQ-QZFKAFNDSA-N -1 0 376.365 2.524 50 30 GFEARM COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000042338553 570889938 /nfs/dbraw/zinc/88/99/38/570889938.db2.gz XFEQQWKWRPBVKW-UHFFFAOYSA-N -1 0 377.418 2.688 50 30 GFEARM Cc1ccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(N)=O)c2)s1 ZINC000079053152 655006626 /nfs/dbraw/zinc/00/66/26/655006626.db2.gz DZGMETZFTYNTKL-GHMZBOCLSA-N -1 0 382.438 2.743 50 30 GFEARM Cc1c(NC(=O)C(=O)C=C([O-])c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000100331094 231006659 /nfs/dbraw/zinc/00/66/59/231006659.db2.gz DGDOITPEMKQFJV-AQTBWJFISA-N -1 0 377.400 2.748 50 30 GFEARM C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCCC)[nH]c(=O)c32)cc1OC ZINC000086057857 212150111 /nfs/dbraw/zinc/15/01/11/212150111.db2.gz RPFKIDPYEUZAJJ-ZDUSSCGKSA-N -1 0 399.472 2.767 50 30 GFEARM C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC)C(=O)NC1=S ZINC000016692096 212100073 /nfs/dbraw/zinc/10/00/73/212100073.db2.gz YCRYWOSJEFCNKM-FMIVXFBMSA-N -1 0 395.278 2.661 50 30 GFEARM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000003002806 136196504 /nfs/dbraw/zinc/19/65/04/136196504.db2.gz UFOLLZQSYBPZFS-MHWRWJLKSA-N -1 0 392.367 2.647 50 30 GFEARM CC(C)(C)[C@@H]1CCc2nc(N)c(C#N)c(-c3cnc(NCC(=O)[O-])nc3)c2C1 ZINC000071755058 222191155 /nfs/dbraw/zinc/19/11/55/222191155.db2.gz CJKJHQYZMZDSJC-GFCCVEGCSA-N -1 0 380.452 2.640 50 30 GFEARM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC000042308543 518196569 /nfs/dbraw/zinc/19/65/69/518196569.db2.gz BMPOUXKRFIOJMS-UHFFFAOYSA-N -1 0 388.832 2.634 50 30 GFEARM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cccnc1 ZINC000004384686 519214721 /nfs/dbraw/zinc/21/47/21/519214721.db2.gz XEVYWIBSEIDEIQ-UHFFFAOYSA-N -1 0 395.444 2.955 50 30 GFEARM C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NCc2ccccc2)c1=O ZINC000100643346 519261226 /nfs/dbraw/zinc/26/12/26/519261226.db2.gz JZJFYGTUFIOCLY-UHFFFAOYSA-N -1 0 394.427 2.840 50 30 GFEARM CC(=O)NCCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000101478605 519662829 /nfs/dbraw/zinc/66/28/29/519662829.db2.gz QRTAZZKIZPOVIS-SELCWUDQSA-N -1 0 398.846 2.898 50 30 GFEARM CC[C@H](C)c1ccc(S(=O)(=O)N/N=C(/C)c2c([O-])cc(C)oc2=O)cc1 ZINC000017077379 522039610 /nfs/dbraw/zinc/03/96/10/522039610.db2.gz FFBPYHUCBRYZDL-UQGHUHRHSA-N -1 0 378.450 2.870 50 30 GFEARM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc1 ZINC000019904151 525224660 /nfs/dbraw/zinc/22/46/60/525224660.db2.gz OTHOFQUNNZCVJJ-GOSISDBHSA-N -1 0 381.384 2.748 50 30 GFEARM CCc1nc(SCC(=O)Nc2ccc(OC)c(Cl)c2)[n-]c(=O)c1C#N ZINC000005238953 551096888 /nfs/dbraw/zinc/09/68/88/551096888.db2.gz FKZXFPQRYKOZNX-UHFFFAOYSA-N -1 0 378.841 2.597 50 30 GFEARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(OC(F)F)c1 ZINC000048461537 570251663 /nfs/dbraw/zinc/25/16/63/570251663.db2.gz YJGFWLWJQVXXRA-UHFFFAOYSA-N -1 0 385.344 2.753 50 30 GFEARM O=C(Cc1ccc(OC(F)F)cc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000048461742 570251683 /nfs/dbraw/zinc/25/16/83/570251683.db2.gz PTFXUWZOHQVKDB-UHFFFAOYSA-N -1 0 399.371 2.947 50 30 GFEARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3sc4c(c3C#N)CCC4)C2=O)c1 ZINC000101350175 570820905 /nfs/dbraw/zinc/82/09/05/570820905.db2.gz KKJAVORLZNJHNR-XNTDXEJSSA-N -1 0 392.440 2.996 50 30 GFEARM C=CCNC(=O)c1c(N)n(-c2cccc(C(=O)[O-])c2)c2nc3ccccc3nc21 ZINC000002303582 212101037 /nfs/dbraw/zinc/10/10/37/212101037.db2.gz DNLOKYXGAOCMLJ-UHFFFAOYSA-N -1 0 387.399 2.770 50 30 GFEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000006316136 212080991 /nfs/dbraw/zinc/08/09/91/212080991.db2.gz VIEMDKSRUMXWTB-UHFFFAOYSA-N -1 0 388.445 2.580 50 30 GFEARM Cc1nc2c(C#N)c[n-]n2c(=O)c1CCOC(=O)c1ccc(Cl)cc1Cl ZINC000004025158 220672770 /nfs/dbraw/zinc/67/27/70/220672770.db2.gz NXVSLIFZYBCDMM-UHFFFAOYSA-N -1 0 391.214 2.909 50 30 GFEARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC#N)cc3)C2=O)c1 ZINC000004209088 220693650 /nfs/dbraw/zinc/69/36/50/220693650.db2.gz VIMLRVVPCOARQB-LDADJPATSA-N -1 0 375.384 2.872 50 30 GFEARM C/C(=N\NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1c([O-])cc(C)oc1=O ZINC000017077371 518463963 /nfs/dbraw/zinc/46/39/63/518463963.db2.gz MBDPVBNJPGRGDB-XDHOZWIPSA-N -1 0 378.450 2.654 50 30 GFEARM C=CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1OC)c2=O ZINC000003043594 518938431 /nfs/dbraw/zinc/93/84/31/518938431.db2.gz PLZBUVAMTHWOOC-UHFFFAOYSA-N -1 0 381.457 2.658 50 30 GFEARM CC(=O)NCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000101478507 519662754 /nfs/dbraw/zinc/66/27/54/519662754.db2.gz RHGRVMBEVRJHSC-SELCWUDQSA-N -1 0 398.846 2.898 50 30 GFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000012625364 520896376 /nfs/dbraw/zinc/89/63/76/520896376.db2.gz OEUARLLJXGHVFA-JZJYNLBNSA-N -1 0 381.348 2.557 50 30 GFEARM N#CN=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000113480362 526427682 /nfs/dbraw/zinc/42/76/82/526427682.db2.gz ZVTJPQNKBWYGHL-OAHLLOKOSA-N -1 0 394.412 2.699 50 30 GFEARM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000241126111 553087173 /nfs/dbraw/zinc/08/71/73/553087173.db2.gz JJOUKKZJZCZBFP-OAQYLSRUSA-N -1 0 399.291 2.859 50 30 GFEARM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(Cl)cc3C#N)cc2C1 ZINC000596040553 565507657 /nfs/dbraw/zinc/50/76/57/565507657.db2.gz BCWXAUZCVJQOFZ-UHFFFAOYSA-N -1 0 395.893 2.979 50 30 GFEARM CSCC[C@@H](/N=C(\NS(=O)(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000006794394 570283363 /nfs/dbraw/zinc/28/33/63/570283363.db2.gz LPSLRZKQNIQCIG-MRXNPFEDSA-N -1 0 392.502 2.618 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004813386 570407697 /nfs/dbraw/zinc/40/76/97/570407697.db2.gz DJVPHIPYXHBCIB-MRXNPFEDSA-N -1 0 382.328 2.782 50 30 GFEARM CCOC(=O)CC/C(C)=N\N=C1\S[C@H](CC(=O)[O-])C(=O)N1c1ccccc1 ZINC000005091642 570415428 /nfs/dbraw/zinc/41/54/28/570415428.db2.gz GDMUZFFAUVTNPU-CAEPROQDSA-N -1 0 391.449 2.685 50 30 GFEARM CSc1ccc2cc(CN3CCC[C@](C)(C#N)C3)c(=O)n(CC(=O)[O-])c2c1 ZINC000534629405 570908699 /nfs/dbraw/zinc/90/86/99/570908699.db2.gz OLPUOCNROZZDBW-HXUWFJFHSA-N -1 0 385.489 2.934 50 30 GFEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC(C)C)C1=O)O2 ZINC000263586054 570918208 /nfs/dbraw/zinc/91/82/08/570918208.db2.gz PGCIHVFCXPLDAQ-OQHXPNFOSA-N -1 0 385.416 2.567 50 30 GFEARM C[C@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000084001509 570989992 /nfs/dbraw/zinc/98/99/92/570989992.db2.gz WHUXVARVUMYKFQ-NSHDSACASA-N -1 0 379.825 2.860 50 30 GFEARM O=C([O-])CNS(=O)(=O)c1cccc(C(=O)/C=C\c2ccccc2Cl)c1 ZINC000097992897 655038232 /nfs/dbraw/zinc/03/82/32/655038232.db2.gz AQJBXQLMJZXRML-HJWRWDBZSA-N -1 0 379.821 2.599 50 30 GFEARM N#CCCn1c(=O)c(C(=O)NCCCc2ccccc2)c([O-])c2ccccc21 ZINC000170624795 231028810 /nfs/dbraw/zinc/02/88/10/231028810.db2.gz OOQJCACEBRUNEG-UHFFFAOYSA-N -1 0 375.428 2.983 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004888805 204087101 /nfs/dbraw/zinc/08/71/01/204087101.db2.gz HZFYWUSYLNQQGO-INIZCTEOSA-N -1 0 382.328 2.782 50 30 GFEARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000010514893 204335696 /nfs/dbraw/zinc/33/56/96/204335696.db2.gz CEPYPNARNAPCEL-UHFFFAOYSA-N -1 0 379.825 2.979 50 30 GFEARM Cc1nc(=O)[n-]c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C#N ZINC000032776376 206093450 /nfs/dbraw/zinc/09/34/50/206093450.db2.gz WWWFNGRMTYENMU-JSFDKUKPSA-N -1 0 386.521 2.763 50 30 GFEARM COc1cc(CC(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1C ZINC000070017694 522302261 /nfs/dbraw/zinc/30/22/61/522302261.db2.gz YDTQYMCMJFMSGC-UHFFFAOYSA-N -1 0 376.434 2.850 50 30 GFEARM COc1cc(NC(=O)c2ccccc2)c(Cl)cc1N=Nc1c(C)[n-][nH]c1=O ZINC000022340088 522728100 /nfs/dbraw/zinc/72/81/00/522728100.db2.gz MMPWYUNWNDTJKW-UHFFFAOYSA-N -1 0 385.811 2.875 50 30 GFEARM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc1 ZINC000019904149 525390456 /nfs/dbraw/zinc/39/04/56/525390456.db2.gz OTHOFQUNNZCVJJ-SFHVURJKSA-N -1 0 381.384 2.748 50 30 GFEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccccn2)s1 ZINC000102745852 526354680 /nfs/dbraw/zinc/35/46/80/526354680.db2.gz RGWWIGLMETZZKL-REQDGWNSSA-N -1 0 384.442 2.929 50 30 GFEARM COc1ccc(C)cc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000048461747 570251780 /nfs/dbraw/zinc/25/17/80/570251780.db2.gz REHJPEOUGRJPQD-UHFFFAOYSA-N -1 0 377.418 2.663 50 30 GFEARM O=C([O-])CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000012753487 570813279 /nfs/dbraw/zinc/81/32/79/570813279.db2.gz APBPIGQDSDVSQF-JXMROGBWSA-N -1 0 379.821 2.599 50 30 GFEARM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591352866 600009299 /nfs/dbraw/zinc/00/92/99/600009299.db2.gz KTNHHFCLNPQLOC-SFHVURJKSA-N -1 0 381.388 2.976 50 30 GFEARM Cc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1S(C)(=O)=O ZINC000048531407 654708856 /nfs/dbraw/zinc/70/88/56/654708856.db2.gz VAANWFIZAXTYKX-ZHACJKMWSA-N -1 0 379.459 2.704 50 30 GFEARM C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NC2CCCCC2)c1=O ZINC000100643328 519261410 /nfs/dbraw/zinc/26/14/10/519261410.db2.gz YMXVMNISDVEXCN-UHFFFAOYSA-N -1 0 386.448 2.973 50 30 GFEARM CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000095377470 521446055 /nfs/dbraw/zinc/44/60/55/521446055.db2.gz QCWFXEMNAQAGOS-UHFFFAOYSA-N -1 0 385.239 2.936 50 30 GFEARM COc1cc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2cc(C)on2)ccc1O ZINC000102886539 522915903 /nfs/dbraw/zinc/91/59/03/522915903.db2.gz IVSRBRWWFICGOK-GROYHEBESA-N -1 0 396.355 2.917 50 30 GFEARM CN1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)O3)CC1 ZINC000020518202 523908311 /nfs/dbraw/zinc/90/83/11/523908311.db2.gz OXLXJQGMNJGIMB-UNOMPAQXSA-N -1 0 395.415 2.664 50 30 GFEARM N#CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009323792 526476611 /nfs/dbraw/zinc/47/66/11/526476611.db2.gz AIIKWJSXUUTSGQ-PTNGSMBKSA-N -1 0 381.775 2.909 50 30 GFEARM O=C([N-]S(=O)(=O)C1CCCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000084374396 527323123 /nfs/dbraw/zinc/32/31/23/527323123.db2.gz LHZPAMRRYIMHEC-INIZCTEOSA-N -1 0 380.466 2.771 50 30 GFEARM C#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000013942045 570242805 /nfs/dbraw/zinc/24/28/05/570242805.db2.gz BMENPVJFDZWJOW-ATVHPVEESA-N -1 0 380.375 2.698 50 30 GFEARM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1 ZINC000048509449 570252681 /nfs/dbraw/zinc/25/26/81/570252681.db2.gz NNFQBOUPJAGOAR-KRWDZBQOSA-N -1 0 387.392 2.677 50 30 GFEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000001218311 570258927 /nfs/dbraw/zinc/25/89/27/570258927.db2.gz HJBFCLPPTXHYNE-UHFFFAOYSA-N -1 0 377.378 2.821 50 30 GFEARM N#Cc1cc(C(=O)c2cc(F)ccc2[O-])cn(-c2ccc3c(c2)OCCO3)c1=O ZINC000014160680 570294046 /nfs/dbraw/zinc/29/40/46/570294046.db2.gz ODELHBQMKZPOKX-UHFFFAOYSA-N -1 0 392.342 2.556 50 30 GFEARM COc1ccc(/C=N\N=C2/S[C@@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1 ZINC000013154233 570749350 /nfs/dbraw/zinc/74/93/50/570749350.db2.gz TUXQJGHLHDZSOD-MCYOPLRSSA-N -1 0 399.428 2.714 50 30 GFEARM COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc([N+](=O)[O-])c1[O-] ZINC000018195937 570808597 /nfs/dbraw/zinc/80/85/97/570808597.db2.gz CFGHHBQMIYUNIB-HNNXBMFYSA-N -1 0 385.380 2.559 50 30 GFEARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(N=Cc2ccccc2O)cc1 ZINC000252461990 570960404 /nfs/dbraw/zinc/96/04/04/570960404.db2.gz OYWWNYFWJLOUAI-UHFFFAOYSA-N -1 0 375.450 2.931 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004813387 204078558 /nfs/dbraw/zinc/07/85/58/204078558.db2.gz DJVPHIPYXHBCIB-INIZCTEOSA-N -1 0 382.328 2.782 50 30 GFEARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3sc4c(c3C#N)CCC4)C2=O)c1 ZINC000004838032 204080388 /nfs/dbraw/zinc/08/03/88/204080388.db2.gz KKJAVORLZNJHNR-GDNBJRDFSA-N -1 0 392.440 2.996 50 30 GFEARM Cc1nc(=O)[n-]c(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)c1C#N ZINC000009951678 204328051 /nfs/dbraw/zinc/32/80/51/204328051.db2.gz CUXQIAISQSEHDC-UHFFFAOYSA-N -1 0 397.441 2.800 50 30 GFEARM CC1=C(C#N)C(=O)N(CCCO)C(=O)C1=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000019922617 204692084 /nfs/dbraw/zinc/69/20/84/204692084.db2.gz MSIQOPHRZHIHHR-QZQOTICOSA-N -1 0 390.783 2.883 50 30 GFEARM COc1ccc(-c2nc(SCC(=O)N[C@@H](C)C(C)C)[n-]c(=O)c2C#N)cc1 ZINC000031610458 206087678 /nfs/dbraw/zinc/08/76/78/206087678.db2.gz GPQOINYCBYGIRZ-LBPRGKRZSA-N -1 0 386.477 2.570 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000017858393 519369125 /nfs/dbraw/zinc/36/91/25/519369125.db2.gz ZUDZKDRBPGINOQ-MRXNPFEDSA-N -1 0 382.328 2.782 50 30 GFEARM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000069282192 525907515 /nfs/dbraw/zinc/90/75/15/525907515.db2.gz FKEGQAPNTXYUFF-JQWIXIFHSA-N -1 0 392.271 2.678 50 30 GFEARM COC(=O)c1sccc1[N-]/N=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001038040 551091767 /nfs/dbraw/zinc/09/17/67/551091767.db2.gz AJSFQVVAOAAQSG-LDADJPATSA-N -1 0 383.838 2.911 50 30 GFEARM N#Cc1ccnc(N2CC[NH+](Cc3c([O-])c(Cl)cc(Cl)c3[O-])CC2)c1 ZINC000025046026 551120177 /nfs/dbraw/zinc/12/01/77/551120177.db2.gz ARXTZNHUQSHKBZ-UHFFFAOYSA-N -1 0 379.247 2.993 50 30 GFEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001179134 570254783 /nfs/dbraw/zinc/25/47/83/570254783.db2.gz XUXJUHUVLJAMKH-KRWDZBQOSA-N -1 0 396.355 2.648 50 30 GFEARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=NNc1cccc(C(F)(F)F)c1 ZINC000006229357 570344743 /nfs/dbraw/zinc/34/47/43/570344743.db2.gz WTWVPSDZEQZBTP-ZVHZXABRSA-N -1 0 390.321 2.752 50 30 GFEARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000022960921 570513010 /nfs/dbraw/zinc/51/30/10/570513010.db2.gz DQPRFJUWUBIUHI-GASCZTMLSA-N -1 0 399.472 2.608 50 30 GFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)COCc2ccccc2Cl)cc1Cl ZINC000107022520 570969804 /nfs/dbraw/zinc/96/98/04/570969804.db2.gz DVSVIRAMGWDBHU-UHFFFAOYSA-N -1 0 399.255 2.887 50 30 GFEARM Cc1ccc(COc2ccc(/C=N/N=C3\NC(=O)[C@H](CC(=O)[O-])S3)cc2)cc1 ZINC000005615483 204143124 /nfs/dbraw/zinc/14/31/24/204143124.db2.gz NHYOVTUSLDSGKB-RYFGYPJOSA-N -1 0 397.456 2.970 50 30 GFEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OC)c1=O ZINC000100543105 519262607 /nfs/dbraw/zinc/26/26/07/519262607.db2.gz HVGRQIZBCMTENH-UHFFFAOYSA-N -1 0 378.384 2.932 50 30 GFEARM COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc([N+](=O)[O-])c1[O-] ZINC000034858560 521999023 /nfs/dbraw/zinc/99/90/23/521999023.db2.gz KVHDUFRHMZXQTI-RGVLZGJSSA-N -1 0 382.376 2.857 50 30 GFEARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000024836312 522530558 /nfs/dbraw/zinc/53/05/58/522530558.db2.gz SRSBVPHRJYSTDB-DHZHZOJOSA-N -1 0 393.848 2.941 50 30 GFEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000103935896 523789960 /nfs/dbraw/zinc/78/99/60/523789960.db2.gz WMRDLIYEAJPVJO-LFVOPCPISA-N -1 0 397.427 2.777 50 30 GFEARM CCOC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000712384 570219669 /nfs/dbraw/zinc/21/96/69/570219669.db2.gz IREBJWRCBLXHSJ-MRXNPFEDSA-N -1 0 381.344 2.733 50 30 GFEARM CCCCCCCCCn1c(S[C@@H](C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000002908148 570317904 /nfs/dbraw/zinc/31/79/04/570317904.db2.gz IMLWZFAABRCTJI-LBPRGKRZSA-N -1 0 396.513 2.739 50 30 GFEARM CCOC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000851604 570663082 /nfs/dbraw/zinc/66/30/82/570663082.db2.gz XFEBWASWHYOUFZ-MRXNPFEDSA-N -1 0 381.344 2.733 50 30 GFEARM COc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(C)CC3)C2=O)cc1 ZINC000023078070 570902022 /nfs/dbraw/zinc/90/20/22/570902022.db2.gz WEOVGIMYDOAKFM-MOSHPQCFSA-N -1 0 380.444 2.764 50 30 GFEARM COc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OCC(=O)[O-] ZINC000004196362 204033357 /nfs/dbraw/zinc/03/33/57/204033357.db2.gz RPKZPIJCYDUSND-FQEVSTJZSA-N -1 0 396.399 2.513 50 30 GFEARM O=C([O-])C[C@H]1S/C(=N/N=C/c2ccc(-c3cccc(Cl)c3)o2)NC1=O ZINC000004755712 204074550 /nfs/dbraw/zinc/07/45/50/204074550.db2.gz QVUMKVHWKVYEJA-NACCWKTGSA-N -1 0 377.809 2.996 50 30 GFEARM COc1cc(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)cc(OC)c1O ZINC000004480688 204047121 /nfs/dbraw/zinc/04/71/21/204047121.db2.gz SZLBVACQNXYPQT-AWQFTUOYSA-N -1 0 378.392 2.983 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@@H]1c1cccc(F)c1 ZINC000004576390 204055002 /nfs/dbraw/zinc/05/50/02/204055002.db2.gz MZLCNFNXQCSNKF-GOSISDBHSA-N -1 0 385.347 2.778 50 30 GFEARM COc1ccc(/C=N/N=C2/S[C@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1 ZINC000005101373 204111395 /nfs/dbraw/zinc/11/13/95/204111395.db2.gz TUXQJGHLHDZSOD-TVQRBVHCSA-N -1 0 399.428 2.714 50 30 GFEARM C=CCOc1ccc(-c2nnc(CCC(=O)N[C@H](C)CC)c(=O)[n-]2)cc1OC ZINC000034766146 519009458 /nfs/dbraw/zinc/00/94/58/519009458.db2.gz IJEDJJYVUDFHSM-CYBMUJFWSA-N -1 0 386.452 2.665 50 30 GFEARM CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000100217824 521481502 /nfs/dbraw/zinc/48/15/02/521481502.db2.gz QTNBJHQAJZJYDY-HEHNFIMWSA-N -1 0 395.375 2.962 50 30 GFEARM Cc1ccccc1C(=O)Nc1ccc(N2CCN(CCC#N)CC2)cc1C(=O)[O-] ZINC000045967666 525063439 /nfs/dbraw/zinc/06/34/39/525063439.db2.gz SVQFVVXBWTWHBS-UHFFFAOYSA-N -1 0 392.459 2.981 50 30 GFEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000019794387 527589794 /nfs/dbraw/zinc/58/97/94/527589794.db2.gz QJNAJPMPXOWBGF-KRWDZBQOSA-N -1 0 396.355 2.648 50 30 GFEARM CCN(CC)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000003212730 551092260 /nfs/dbraw/zinc/09/22/60/551092260.db2.gz CZWIEDCATPCICX-HNNXBMFYSA-N -1 0 377.491 2.972 50 30 GFEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000018058484 570798227 /nfs/dbraw/zinc/79/82/27/570798227.db2.gz SHWUQLBYVQDELI-MRXNPFEDSA-N -1 0 376.365 2.524 50 30 GFEARM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccc(OCC(=O)[O-])cc1 ZINC000102045204 570839564 /nfs/dbraw/zinc/83/95/64/570839564.db2.gz CHULUIIGWCGOBN-HNNXBMFYSA-N -1 0 383.404 2.779 50 30 GFEARM O=C(COc1ccc2c(c1)CCC(=O)N2)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100136 570987086 /nfs/dbraw/zinc/98/70/86/570987086.db2.gz OLVXZIBSUFBWTC-UHFFFAOYSA-N -1 0 392.408 2.576 50 30 GFEARM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1O ZINC000002209803 571006629 /nfs/dbraw/zinc/00/66/29/571006629.db2.gz XZWUZPJVDYNAPW-MHWRWJLKSA-N -1 0 396.374 2.935 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000004576395 204055131 /nfs/dbraw/zinc/05/51/31/204055131.db2.gz AVZYMYRNAYIHOH-SFHVURJKSA-N -1 0 385.347 2.778 50 30 GFEARM O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000009110943 204299317 /nfs/dbraw/zinc/29/93/17/204299317.db2.gz NXTRXUFFJMAMTF-UYTDBDHRSA-N -1 0 389.766 2.985 50 30 GFEARM CCn1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c2)ccc1=O ZINC000065129050 205211707 /nfs/dbraw/zinc/21/17/07/205211707.db2.gz FGUVYSGSKPQOMD-UHFFFAOYSA-N -1 0 386.458 2.664 50 30 GFEARM C[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2C(N)=O)C1 ZINC000007409983 220996449 /nfs/dbraw/zinc/99/64/49/220996449.db2.gz GKFXFIFWCBDEKC-SNVBAGLBSA-N -1 0 375.475 2.644 50 30 GFEARM CCOC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100049846 520997855 /nfs/dbraw/zinc/99/78/55/520997855.db2.gz XFEBWASWHYOUFZ-INIZCTEOSA-N -1 0 381.344 2.733 50 30 GFEARM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069284060 525909202 /nfs/dbraw/zinc/90/92/02/525909202.db2.gz FCSVRZGTVFGZSB-GHMZBOCLSA-N -1 0 392.271 2.678 50 30 GFEARM CS(=O)(=O)c1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3s2)n1 ZINC000003216618 551092308 /nfs/dbraw/zinc/09/23/08/551092308.db2.gz LBKIJMVWWJCENT-QMMMGPOBSA-N -1 0 392.849 2.633 50 30 GFEARM CCCCCCCCCn1c(S[C@H](C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000002908151 570317894 /nfs/dbraw/zinc/31/78/94/570317894.db2.gz IMLWZFAABRCTJI-GFCCVEGCSA-N -1 0 396.513 2.739 50 30 GFEARM C=CCn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)c([O-])c2ccccc21 ZINC000100588750 570933708 /nfs/dbraw/zinc/93/37/08/570933708.db2.gz DCINNHXNUUXKKP-UHFFFAOYSA-N -1 0 378.384 2.552 50 30 GFEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017015902 570937120 /nfs/dbraw/zinc/93/71/20/570937120.db2.gz ZRZNPMRYTVJJRE-KRWDZBQOSA-N -1 0 396.355 2.566 50 30 GFEARM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000252460111 570960064 /nfs/dbraw/zinc/96/00/64/570960064.db2.gz BSPUTPCDIYKLEV-UHFFFAOYSA-N -1 0 375.406 2.836 50 30 GFEARM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(C#N)c1 ZINC000170645697 570982736 /nfs/dbraw/zinc/98/27/36/570982736.db2.gz IDNLKXMWXOPBNW-UHFFFAOYSA-N -1 0 387.848 2.866 50 30 GFEARM CC(=O)N[C@H](CC(=O)N(CCC(=O)[O-])C1CCOCC1)c1c(F)cccc1F ZINC000328594876 600963819 /nfs/dbraw/zinc/96/38/19/600963819.db2.gz FHUUJPIYRWPHAK-MRXNPFEDSA-N -1 0 398.406 2.855 50 30 GFEARM O=[N+]([O-])c1cc(C=NN2C(=S)N=NC2c2ccccc2)c([O-])c([N+](=O)[O-])c1 ZINC000003207797 203989630 /nfs/dbraw/zinc/98/96/30/203989630.db2.gz SXPATTCBZOZVBV-LZYBPNLTSA-N -1 0 386.349 2.638 50 30 GFEARM COc1ccc(C=NNc2nnc3c(n2)[nH]c2ccccc23)c(C(=O)[O-])c1OC ZINC000004728963 204069587 /nfs/dbraw/zinc/06/95/87/204069587.db2.gz IOANHMBLSMAYNZ-AWQFTUOYSA-N -1 0 392.375 2.668 50 30 GFEARM CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000004738557 204071145 /nfs/dbraw/zinc/07/11/45/204071145.db2.gz BJMMUSYKURMGFR-CNPYVQQSSA-N -1 0 397.362 2.604 50 30 GFEARM COc1ccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1OC ZINC000005062168 204108978 /nfs/dbraw/zinc/10/89/78/204108978.db2.gz DSKSTVDHQNBVKI-GOSISDBHSA-N -1 0 397.383 2.891 50 30 GFEARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)c(Cl)c1 ZINC000225454708 206048430 /nfs/dbraw/zinc/04/84/30/206048430.db2.gz DKXPVJWSSBXIAY-UHFFFAOYSA-N -1 0 387.852 2.961 50 30 GFEARM C=CCOc1ccc(Br)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000004173486 206184102 /nfs/dbraw/zinc/18/41/02/206184102.db2.gz LNYXKEYBPJLEHR-HWKANZROSA-N -1 0 394.181 2.881 50 30 GFEARM CS(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1Br ZINC000328592944 533436832 /nfs/dbraw/zinc/43/68/32/533436832.db2.gz AKMYBYOREHLQGH-UHFFFAOYSA-N -1 0 390.255 2.555 50 30 GFEARM CC(=O)N(c1cccc(C(=O)[O-])c1)C1=C(N(C)C)C(=O)c2ccccc2C1=O ZINC000027548866 519471962 /nfs/dbraw/zinc/47/19/62/519471962.db2.gz XXJUXTAFYMGVGB-UHFFFAOYSA-N -1 0 378.384 2.590 50 30 GFEARM CC(=O)Nc1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000096570040 519720775 /nfs/dbraw/zinc/72/07/75/519720775.db2.gz YFVBNACJXVOCRT-FXBPSFAMSA-N -1 0 380.364 2.744 50 30 GFEARM COc1cccc(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)c1OC ZINC000020610783 525767036 /nfs/dbraw/zinc/76/70/36/525767036.db2.gz YBMQLNIOXHMMGP-UNOMPAQXSA-N -1 0 397.427 2.858 50 30 GFEARM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069284052 525907396 /nfs/dbraw/zinc/90/73/96/525907396.db2.gz FCSVRZGTVFGZSB-QWRGUYRKSA-N -1 0 392.271 2.678 50 30 GFEARM O=C([O-])COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1Br ZINC000004812563 527617639 /nfs/dbraw/zinc/61/76/39/527617639.db2.gz WCUXJPPSZJCSIV-UBKPWBPPSA-N -1 0 395.169 2.662 50 30 GFEARM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000170651626 528646125 /nfs/dbraw/zinc/64/61/25/528646125.db2.gz BFRYKJJPKQHGHJ-VIFPVBQESA-N -1 0 389.271 2.626 50 30 GFEARM C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000170622841 551636319 /nfs/dbraw/zinc/63/63/19/551636319.db2.gz HNKIEJUITODAQU-LBPRGKRZSA-N -1 0 378.837 2.622 50 30 GFEARM CCCC(=O)C1=C(NCCCCCC(=O)[O-])CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100319592 570351971 /nfs/dbraw/zinc/35/19/71/570351971.db2.gz NRECMGNEJYTMFE-KRWDZBQOSA-N -1 0 381.469 2.633 50 30 GFEARM O=C([O-])COc1ccc(Br)cc1CN=Nc1ncccc1[N+](=O)[O-] ZINC000004712259 570397233 /nfs/dbraw/zinc/39/72/33/570397233.db2.gz WMADAMGENBDYCX-REZTVBANSA-N -1 0 395.169 2.662 50 30 GFEARM C=C(C)COc1ccc2c(C)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc2c1 ZINC000006624047 570508417 /nfs/dbraw/zinc/50/84/17/570508417.db2.gz QUFCIBGEBIYJIX-KRWDZBQOSA-N -1 0 385.416 2.674 50 30 GFEARM Cc1cccn2c(=O)c(C=NNc3ccc(C(=O)[O-])cc3)c(N3CCCC3)nc12 ZINC000005446922 570596390 /nfs/dbraw/zinc/59/63/90/570596390.db2.gz OHIZTPWZJCNLFJ-LPYMAVHISA-N -1 0 391.431 2.747 50 30 GFEARM O=c1[nH]c([O-])c(C=Nc2ccc(F)c(Cl)c2)c(=O)n1-c1ccc(F)cc1 ZINC000101596342 570827239 /nfs/dbraw/zinc/82/72/39/570827239.db2.gz DZXZSOZPTLKONO-ODCIPOBUSA-N -1 0 377.734 2.914 50 30 GFEARM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCc4c3cnn4C)cc2[n-]c1=S ZINC000012545109 570845850 /nfs/dbraw/zinc/84/58/50/570845850.db2.gz ONZHZOQKZAZYKM-OAHLLOKOSA-N -1 0 395.488 2.786 50 30 GFEARM O=C([O-])CNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccccc2Cl)cc1 ZINC000097992878 655038335 /nfs/dbraw/zinc/03/83/35/655038335.db2.gz APBPIGQDSDVSQF-YFHOEESVSA-N -1 0 379.821 2.599 50 30 GFEARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)/C=C\c2ccccc2Cl)cc1 ZINC000096988685 529840072 /nfs/dbraw/zinc/84/00/72/529840072.db2.gz SRSBVPHRJYSTDB-FLIBITNWSA-N -1 0 393.848 2.941 50 30 GFEARM CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000004738558 204070336 /nfs/dbraw/zinc/07/03/36/204070336.db2.gz BJMMUSYKURMGFR-RSFOSLOZSA-N -1 0 397.362 2.604 50 30 GFEARM CCOc1ccc(/C=N/n2c([O-])nc3c4ccccc4[nH]c3c2=O)cc1OC ZINC000008738773 204286909 /nfs/dbraw/zinc/28/69/09/204286909.db2.gz ZXNYMAWRMOKIIZ-SRZZPIQSSA-N -1 0 378.388 2.873 50 30 GFEARM COc1cc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc(OC)c1OC ZINC000005248702 206216601 /nfs/dbraw/zinc/21/66/01/206216601.db2.gz PAYNMQUXSPHWEV-KEBDBYFISA-N -1 0 378.392 2.978 50 30 GFEARM COC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000217684407 533708619 /nfs/dbraw/zinc/70/86/19/533708619.db2.gz BMVNTLAQDOGYMJ-OAHLLOKOSA-N -1 0 394.379 2.996 50 30 GFEARM CCOc1cc(C=NNc2nnc(C)c(=O)[n-]2)ccc1OCCc1ccccc1 ZINC000004423954 520644423 /nfs/dbraw/zinc/64/44/23/520644423.db2.gz IXZIYTQLFPAELY-HYARGMPZSA-N -1 0 393.447 2.940 50 30 GFEARM N#CCCN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000033078737 526460861 /nfs/dbraw/zinc/46/08/61/526460861.db2.gz MHQQEKYFDOEZRV-UHFFFAOYSA-N -1 0 396.422 2.812 50 30 GFEARM N#CCCN1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1 ZINC000033078739 526461113 /nfs/dbraw/zinc/46/11/13/526461113.db2.gz UZMQSEVPKUPUBL-UHFFFAOYSA-N -1 0 384.461 2.734 50 30 GFEARM CC(C)=C1Oc2c(ccc([O-])c2CN2CCN(Cc3cccnc3)CC2)C1=O ZINC000218487905 527387405 /nfs/dbraw/zinc/38/74/05/527387405.db2.gz GWFRAGXOCGMDPT-UHFFFAOYSA-N -1 0 379.460 2.974 50 30 GFEARM [O-]c1c(Br)cc(Br)cc1C=NN1CN=NC1=S ZINC000252477017 553149591 /nfs/dbraw/zinc/14/95/91/553149591.db2.gz GTOGQILMDGJPBU-UHFFFAOYSA-N -1 0 378.049 2.680 50 30 GFEARM C#CC[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CC1 ZINC000083812482 570967038 /nfs/dbraw/zinc/96/70/38/570967038.db2.gz PRZRICPCQCJEAA-HNNXBMFYSA-N -1 0 376.459 2.903 50 30 GFEARM CCOc1ccc(CC(=O)C2=C(N[C@@H](C)C(=O)[O-])CCCC2=O)cc1OCC ZINC000001421804 570998903 /nfs/dbraw/zinc/99/89/03/570998903.db2.gz IYCHNUIBGBRZKZ-ZDUSSCGKSA-N -1 0 389.448 2.665 50 30 GFEARM C=CCn1c(SCC(=O)[O-])nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000002298090 654435947 /nfs/dbraw/zinc/43/59/47/654435947.db2.gz KDJVSJKQCWOXCU-NSHDSACASA-N -1 0 380.491 2.918 50 30 GFEARM CC(=O)Nc1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000013943258 207004732 /nfs/dbraw/zinc/00/47/32/207004732.db2.gz YFVBNACJXVOCRT-HEHNFIMWSA-N -1 0 380.364 2.744 50 30 GFEARM CCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(C[C@H]3CCCO3)c2[O-])cc1 ZINC000016806554 207078586 /nfs/dbraw/zinc/07/85/86/207078586.db2.gz LONPUTBQEZUBCL-QGZVFWFLSA-N -1 0 396.443 2.933 50 30 GFEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000018182744 207093551 /nfs/dbraw/zinc/09/35/51/207093551.db2.gz KEHOEDMTRWXRQD-INIZCTEOSA-N -1 0 376.365 2.524 50 30 GFEARM Cc1nn(CC(=O)[O-])c(C)c1-c1cc(-c2ccc(O)c(C)c2)c(C#N)c(N)n1 ZINC000071748019 207947675 /nfs/dbraw/zinc/94/76/75/207947675.db2.gz QEOXYJDOJQKJHP-UHFFFAOYSA-N -1 0 377.404 2.781 50 30 GFEARM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)cc1 ZINC000095466346 208191157 /nfs/dbraw/zinc/19/11/57/208191157.db2.gz VGEVUUCRRZTUPT-UHFFFAOYSA-N -1 0 377.223 2.529 50 30 GFEARM CCCN(CC(=O)Nc1cccc(C#N)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000012765305 208775060 /nfs/dbraw/zinc/77/50/60/208775060.db2.gz LLGXZAWKUCDCGZ-UHFFFAOYSA-N -1 0 381.461 2.707 50 30 GFEARM C=CCNC(=O)CCc1nnc(-c2ccc(OCC3CCC3)c(OC)c2)[n-]c1=O ZINC000034767389 518886013 /nfs/dbraw/zinc/88/60/13/518886013.db2.gz BBXKIBLIKBWKBR-UHFFFAOYSA-N -1 0 398.463 2.667 50 30 GFEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000048356331 518943637 /nfs/dbraw/zinc/94/36/37/518943637.db2.gz GPMVGPURIYVIQF-UHFFFAOYSA-N -1 0 375.837 2.928 50 30 GFEARM C=CCOc1ccc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[n-]2)cc1OC ZINC000034766133 519009255 /nfs/dbraw/zinc/00/92/55/519009255.db2.gz QYBUVYUXHBLHNY-UHFFFAOYSA-N -1 0 386.452 2.522 50 30 GFEARM COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])c1 ZINC000019904155 524110856 /nfs/dbraw/zinc/11/08/56/524110856.db2.gz ISWHGBDBPSTDJB-GOSISDBHSA-N -1 0 381.384 2.748 50 30 GFEARM O=C([N-]S(=O)(=O)c1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000048609396 570253169 /nfs/dbraw/zinc/25/31/69/570253169.db2.gz QCTMRJPTYZHTBR-UHFFFAOYSA-N -1 0 384.207 2.871 50 30 GFEARM COc1ccc(CNC(=O)c2c([O-])c3ccccc3n(CCC#N)c2=O)cc1 ZINC000206008907 570382063 /nfs/dbraw/zinc/38/20/63/570382063.db2.gz AEVYLQKQIDMGOP-UHFFFAOYSA-N -1 0 377.400 2.559 50 30 GFEARM Cc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1S(C)(=O)=O ZINC000048531406 654708935 /nfs/dbraw/zinc/70/89/35/654708935.db2.gz VAANWFIZAXTYKX-KHPPLWFESA-N -1 0 379.459 2.704 50 30 GFEARM C=CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc32)C(=O)NC1=S ZINC000001153176 206248496 /nfs/dbraw/zinc/24/84/96/206248496.db2.gz NAEDSDFAVRFGMP-LFIBNONCSA-N -1 0 382.441 2.670 50 30 GFEARM C=CCNC(=O)c1c(N)n(-c2ccc(C(=O)[O-])cc2)c2nc3ccccc3nc21 ZINC000002237650 206250183 /nfs/dbraw/zinc/25/01/83/206250183.db2.gz WHTYSSDQEKPVQU-UHFFFAOYSA-N -1 0 387.399 2.770 50 30 GFEARM COc1cc([N+](=O)[O-])cc(C=Nc2ccc(NC(=S)NC(C)=O)cc2)c1[O-] ZINC000001865591 206393736 /nfs/dbraw/zinc/39/37/36/206393736.db2.gz MTMFZJHBOMWLPS-GIJQJNRQSA-N -1 0 388.405 2.893 50 30 GFEARM O=c1[nH][nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1[O-])C1=C(N2)c2ccccc2C1=O ZINC000018196152 207095199 /nfs/dbraw/zinc/09/51/99/207095199.db2.gz ITXAVFRSYYOQLQ-ZDUSSCGKSA-N -1 0 376.328 2.894 50 30 GFEARM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000097212408 208342559 /nfs/dbraw/zinc/34/25/59/208342559.db2.gz QQQHFGOKILYVJG-UHFFFAOYSA-N -1 0 398.322 2.844 50 30 GFEARM COc1cccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)c1 ZINC000102714996 524169613 /nfs/dbraw/zinc/16/96/13/524169613.db2.gz HVXNYROCHVKJCH-UYTDBDHRSA-N -1 0 377.356 2.705 50 30 GFEARM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1F ZINC000048643175 570253603 /nfs/dbraw/zinc/25/36/03/570253603.db2.gz AQSRXDYUYANKBD-UHFFFAOYSA-N -1 0 392.408 2.607 50 30 GFEARM CCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000004699869 570394652 /nfs/dbraw/zinc/39/46/52/570394652.db2.gz DYNASWLPERPIEJ-QBHMUIJLSA-N -1 0 376.265 2.787 50 30 GFEARM COc1ccc(/C=N/N=C2\S[C@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1 ZINC000001191237 570792410 /nfs/dbraw/zinc/79/24/10/570792410.db2.gz TUXQJGHLHDZSOD-TUDXGXLOSA-N -1 0 399.428 2.714 50 30 GFEARM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccc(OCC(=O)[O-])cc1 ZINC000102045210 570839580 /nfs/dbraw/zinc/83/95/80/570839580.db2.gz CHULUIIGWCGOBN-OAHLLOKOSA-N -1 0 383.404 2.779 50 30 GFEARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000045087267 570986540 /nfs/dbraw/zinc/98/65/40/570986540.db2.gz CVSTUWADBXWCNG-UHFFFAOYSA-N -1 0 375.402 2.744 50 30 GFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000000639814 206310633 /nfs/dbraw/zinc/31/06/33/206310633.db2.gz VRJNUKFIHUJZHR-UHFFFAOYSA-N -1 0 381.417 2.563 50 30 GFEARM C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000022960926 207266697 /nfs/dbraw/zinc/26/66/97/207266697.db2.gz DQPRFJUWUBIUHI-GJZGRUSLSA-N -1 0 399.472 2.608 50 30 GFEARM C[C@H](CC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1)n1cccc1 ZINC000089894543 534299146 /nfs/dbraw/zinc/29/91/46/534299146.db2.gz ICXUNMKNAXFXOX-OAHLLOKOSA-N -1 0 378.450 2.859 50 30 GFEARM COc1nccnc1[N-]S(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000100214014 525077085 /nfs/dbraw/zinc/07/70/85/525077085.db2.gz FMYWYLNYWWXNAQ-CIAFOILYSA-N -1 0 384.417 2.742 50 30 GFEARM N=C(N)NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000005513194 551097741 /nfs/dbraw/zinc/09/77/41/551097741.db2.gz OLWLDZPNUDXNPP-FBCYGCLPSA-N -1 0 387.248 2.621 50 30 GFEARM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 ZINC000048509451 570252528 /nfs/dbraw/zinc/25/25/28/570252528.db2.gz NNFQBOUPJAGOAR-QGZVFWFLSA-N -1 0 387.392 2.677 50 30 GFEARM CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004738561 570399941 /nfs/dbraw/zinc/39/99/41/570399941.db2.gz FQWGGIMTNJDSTH-CNPYVQQSSA-N -1 0 397.362 2.604 50 30 GFEARM CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000013688797 570774730 /nfs/dbraw/zinc/77/47/30/570774730.db2.gz RBJQAOLZBCTZTG-DSGGYQJVSA-N -1 0 383.429 2.975 50 30 GFEARM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCOc2ccc(Cl)cc21 ZINC000159993283 570819691 /nfs/dbraw/zinc/81/96/91/570819691.db2.gz NAGPVZYKISCUJY-NSHDSACASA-N -1 0 394.811 2.722 50 30 GFEARM CSc1nc(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)c2ccccn21 ZINC000089894072 570918659 /nfs/dbraw/zinc/91/86/59/570918659.db2.gz IJRHUBIYFHKSPV-UHFFFAOYSA-N -1 0 379.467 2.527 50 30 GFEARM CC1=C(C#N)C(=O)N(CCCO)C(=O)C1=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000252621076 571033003 /nfs/dbraw/zinc/03/30/03/571033003.db2.gz MSIQOPHRZHIHHR-UHFFFAOYSA-N -1 0 390.783 2.883 50 30 GFEARM COc1cc(Br)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000003582357 654442903 /nfs/dbraw/zinc/44/29/03/654442903.db2.gz OSXMOBAGBJLNIR-DWTRPJMMSA-N -1 0 395.205 2.695 50 30 GFEARM C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCC(=O)[O-] ZINC000005101287 206229364 /nfs/dbraw/zinc/22/93/64/206229364.db2.gz WUUDBZQMUDSLAU-ZROIWOOFSA-N -1 0 377.418 2.943 50 30 GFEARM C[C@@H](NS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000005840396 206629177 /nfs/dbraw/zinc/62/91/77/206629177.db2.gz FQBUNYLGZVLAHO-KBVBDRTLSA-N -1 0 393.848 2.988 50 30 GFEARM N#Cc1c(=O)[n-]c(SCC(=O)NCCc2cccs2)nc1-c1ccccc1 ZINC000024754815 207294467 /nfs/dbraw/zinc/29/44/67/207294467.db2.gz NESWPPCIVJVVTP-UHFFFAOYSA-N -1 0 396.497 2.821 50 30 GFEARM N#Cc1ccc(N2CCN(Cc3cc(Cl)ccc3OCC(=O)[O-])CC2)cc1 ZINC000222323007 136204667 /nfs/dbraw/zinc/20/46/67/136204667.db2.gz YZDRCDRSMNOFOM-UHFFFAOYSA-N -1 0 385.851 2.997 50 30 GFEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000100543108 519262542 /nfs/dbraw/zinc/26/25/42/519262542.db2.gz MNBPFAYBNIKUJP-UHFFFAOYSA-N -1 0 378.384 2.932 50 30 GFEARM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000095444261 521899647 /nfs/dbraw/zinc/89/96/47/521899647.db2.gz YDOWFAUWEGJGPO-SNVBAGLBSA-N -1 0 380.463 2.667 50 30 GFEARM COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])c1 ZINC000019904153 524170977 /nfs/dbraw/zinc/17/09/77/524170977.db2.gz ISWHGBDBPSTDJB-SFHVURJKSA-N -1 0 381.384 2.748 50 30 GFEARM COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCCCCC(=O)[O-])cc1OC ZINC000018192028 525227171 /nfs/dbraw/zinc/22/71/71/525227171.db2.gz AZXRFSSGVGACJJ-GOSISDBHSA-N -1 0 391.420 2.633 50 30 GFEARM Cc1cc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2O)n[nH]1 ZINC000005456181 551097473 /nfs/dbraw/zinc/09/74/73/551097473.db2.gz JYJCNIPRLALXIY-GIDUJCDVSA-N -1 0 379.243 2.990 50 30 GFEARM C#CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1OCC ZINC000002826952 570396616 /nfs/dbraw/zinc/39/66/16/570396616.db2.gz LZPUMCCZOKFSPP-RVDMUPIBSA-N -1 0 391.470 2.773 50 30 GFEARM CC(=O)/N=C1/NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)S1 ZINC000005583408 570447964 /nfs/dbraw/zinc/44/79/64/570447964.db2.gz HCHJHYKALNXARL-CXUHLZMHSA-N -1 0 383.429 2.899 50 30 GFEARM COc1cccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)c1 ZINC000008744075 570539416 /nfs/dbraw/zinc/53/94/16/570539416.db2.gz DTSHOGNPRXMURF-INIZCTEOSA-N -1 0 377.356 2.861 50 30 GFEARM COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC(=O)[O-])ccc2C1=O ZINC000012890073 570726600 /nfs/dbraw/zinc/72/66/00/570726600.db2.gz UVINHYZXXRBXIF-WSVATBPTSA-N -1 0 386.356 2.792 50 30 GFEARM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000159929775 570759193 /nfs/dbraw/zinc/75/91/93/570759193.db2.gz ZKKNXUDMCQFFHM-UHFFFAOYSA-N -1 0 394.811 2.819 50 30 GFEARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000055595635 654779183 /nfs/dbraw/zinc/77/91/83/654779183.db2.gz QWIWZCJNHMETAG-UHFFFAOYSA-N -1 0 375.328 2.905 50 30 GFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c(C)c1 ZINC000048475029 230934162 /nfs/dbraw/zinc/93/41/62/230934162.db2.gz LDLPRDOOSDYODF-INIZCTEOSA-N -1 0 378.450 2.996 50 30 GFEARM COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCC(=O)[O-] ZINC000000661580 206313586 /nfs/dbraw/zinc/31/35/86/206313586.db2.gz ITKXCPGSXNHWOC-UHFFFAOYSA-N -1 0 397.427 2.860 50 30 GFEARM C=CC[C@H]1N(c2ccc(Br)cc2)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000004237660 209083204 /nfs/dbraw/zinc/08/32/04/209083204.db2.gz FSANEYMMOLSSOZ-VPKNTQAGSA-N -1 0 390.233 2.765 50 30 GFEARM COc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000065643157 522544008 /nfs/dbraw/zinc/54/40/08/522544008.db2.gz OMZQVKPJUJVATB-UHFFFAOYSA-N -1 0 383.809 2.813 50 30 GFEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000103935892 523788928 /nfs/dbraw/zinc/78/89/28/523788928.db2.gz WMRDLIYEAJPVJO-WOOAAIBNSA-N -1 0 397.427 2.777 50 30 GFEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2C)[C@H]1c1ccc(O)cc1 ZINC000102713623 523790124 /nfs/dbraw/zinc/79/01/24/523790124.db2.gz PERNKZLQKWQVOO-LFVOPCPISA-N -1 0 397.427 2.777 50 30 GFEARM COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)c1 ZINC000022625750 524801409 /nfs/dbraw/zinc/80/14/09/524801409.db2.gz NQHJDLKFWZTXHL-NDENLUEZSA-N -1 0 397.427 2.858 50 30 GFEARM C[C@@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058151513 525953036 /nfs/dbraw/zinc/95/30/36/525953036.db2.gz WHUXVARVUMYKFQ-LLVKDONJSA-N -1 0 379.825 2.860 50 30 GFEARM N#Cc1c2c(sc1N=CC1C(=O)[N-]C(=O)N(c3ccccc3)C1=O)CCCC2 ZINC000100774345 526532113 /nfs/dbraw/zinc/53/21/13/526532113.db2.gz FXJQRJNIGFTTAQ-SSDVNMTOSA-N -1 0 392.440 2.794 50 30 GFEARM O=C([O-])COc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000000945966 527619909 /nfs/dbraw/zinc/61/99/09/527619909.db2.gz RQCXACCMUVTZJV-LPYMAVHISA-N -1 0 387.867 2.955 50 30 GFEARM C=CCn1c2ccccc2c([O-])c(C(=O)NCCc2cccc(OC)c2)c1=O ZINC000012416050 570669937 /nfs/dbraw/zinc/66/99/37/570669937.db2.gz GXEQGCSZAXQEJV-UHFFFAOYSA-N -1 0 378.428 2.874 50 30 GFEARM CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000013688792 570774643 /nfs/dbraw/zinc/77/46/43/570774643.db2.gz RBJQAOLZBCTZTG-AYAKEVCGSA-N -1 0 383.429 2.975 50 30 GFEARM CC(C)(C)c1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000606444392 677674374 /nfs/dbraw/zinc/67/43/74/677674374.db2.gz FIUDOQBTBSIPLZ-TWGQIWQCSA-N -1 0 375.475 2.831 50 30 GFEARM C=CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000000860623 206248663 /nfs/dbraw/zinc/24/86/63/206248663.db2.gz LWTRBSBIIDSGBZ-UHFFFAOYSA-N -1 0 390.417 2.944 50 30 GFEARM COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000020112819 206297459 /nfs/dbraw/zinc/29/74/59/206297459.db2.gz LJBCVRCSCRWFNO-SFHVURJKSA-N -1 0 397.383 2.891 50 30 GFEARM CN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccccc1 ZINC000100261572 523726334 /nfs/dbraw/zinc/72/63/34/523726334.db2.gz JMCVSEILMAMXQL-APFMSCDFSA-N -1 0 383.429 2.975 50 30 GFEARM COc1ccc(Cc2n[n-]c(N/N=C(\C)c3ccc([N+](=O)[O-])cc3)nc2=O)cc1 ZINC000005725404 524162192 /nfs/dbraw/zinc/16/21/92/524162192.db2.gz GFAKADIJJLXTKT-CIAFOILYSA-N -1 0 394.391 2.509 50 30 GFEARM COc1cnc([N-]S(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)nc1 ZINC000100684653 524908770 /nfs/dbraw/zinc/90/87/70/524908770.db2.gz STALPJYIUNSTLK-VXLYETTFSA-N -1 0 384.417 2.742 50 30 GFEARM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1cncc(Br)c1 ZINC000058151008 527191746 /nfs/dbraw/zinc/19/17/46/527191746.db2.gz FXHFPHMAWSQBBU-UHFFFAOYSA-N -1 0 390.646 2.727 50 30 GFEARM CCCCOC(=O)c1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[n-]1 ZINC000006273700 551098722 /nfs/dbraw/zinc/09/87/22/551098722.db2.gz PHJCWXNPEFCFDN-UHFFFAOYSA-N -1 0 380.220 2.533 50 30 GFEARM N#Cc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)c1 ZINC000064919648 551185293 /nfs/dbraw/zinc/18/52/93/551185293.db2.gz CSVLVMHXXWJZAE-UHFFFAOYSA-N -1 0 375.475 2.585 50 30 GFEARM CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000002996575 570324592 /nfs/dbraw/zinc/32/45/92/570324592.db2.gz YXZGRBFDPWZJFH-WOJGMQOQSA-N -1 0 377.422 2.910 50 30 GFEARM C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OCC)c2)C1=O ZINC000002992887 570542511 /nfs/dbraw/zinc/54/25/11/570542511.db2.gz SUOKTQISVLSZRV-MDWZMJQESA-N -1 0 395.820 2.872 50 30 GFEARM CCn1nccc1/C=N\c1ccccc1/N=C(\C)c1c([O-])[nH]c(=O)sc1=O ZINC000036621344 570765294 /nfs/dbraw/zinc/76/52/94/570765294.db2.gz LVCFNFACCNXXLV-AAPAKSDASA-N -1 0 383.433 2.610 50 30 GFEARM N#Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)NCCCC(=O)[O-])cc2)cc1 ZINC000012766546 570813557 /nfs/dbraw/zinc/81/35/57/570813557.db2.gz DCJJQXMIHLKEOF-KPKJPENVSA-N -1 0 398.440 2.597 50 30 GFEARM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000042338670 570889892 /nfs/dbraw/zinc/88/98/92/570889892.db2.gz SLKXVRNNDBOGIX-UHFFFAOYSA-N -1 0 377.418 2.881 50 30 GFEARM COc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000042339770 570890391 /nfs/dbraw/zinc/89/03/91/570890391.db2.gz RGPGEWDYZJKXIR-UHFFFAOYSA-N -1 0 382.369 2.772 50 30 GFEARM COc1ccccc1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107023292 208435565 /nfs/dbraw/zinc/43/55/65/208435565.db2.gz VGFODWDUTHEJOB-HUUCEWRRSA-N -1 0 390.848 2.829 50 30 GFEARM COC(=O)/C=C1\S/C(=N\c2ccc(C(=O)[O-])cc2)N(Cc2ccco2)C1=O ZINC000101581812 522745140 /nfs/dbraw/zinc/74/51/40/522745140.db2.gz FMENHTQPHUYMSJ-YXFNHTKGSA-N -1 0 386.385 2.798 50 30 GFEARM NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2cccc(C(F)(F)F)c2)c1=O ZINC000100423275 527110192 /nfs/dbraw/zinc/11/01/92/527110192.db2.gz IDLIMHBMLFYGCM-OEAKJJBVSA-N -1 0 391.378 2.963 50 30 GFEARM N#Cc1cc2c([n-]c1=O)CCN(C(=O)CCc1ccccc1Br)C2 ZINC000225681931 553060003 /nfs/dbraw/zinc/06/00/03/553060003.db2.gz ZDVARIOIDKTPCG-UHFFFAOYSA-N -1 0 386.249 2.527 50 30 GFEARM CSCC[C@H](/N=C(\NS(=O)(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000006794391 570283314 /nfs/dbraw/zinc/28/33/14/570283314.db2.gz LPSLRZKQNIQCIG-INIZCTEOSA-N -1 0 392.502 2.618 50 30 GFEARM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccccc1OCC(=O)[O-] ZINC000102045780 570839514 /nfs/dbraw/zinc/83/95/14/570839514.db2.gz HDUBITTWHJNGIQ-HNNXBMFYSA-N -1 0 383.404 2.779 50 30 GFEARM C#CC[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CC1 ZINC000083812485 570966924 /nfs/dbraw/zinc/96/69/24/570966924.db2.gz PRZRICPCQCJEAA-OAHLLOKOSA-N -1 0 376.459 2.903 50 30 GFEARM O=C([N-]S(=O)(=O)c1ccccc1)c1cccc(I)c1 ZINC000001130891 206357004 /nfs/dbraw/zinc/35/70/04/206357004.db2.gz ZQNMQQSNBHIFIH-UHFFFAOYSA-N -1 0 387.198 2.985 50 30 GFEARM N#Cc1cc2c(N)c(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)sc2nc1N ZINC000095482034 208195548 /nfs/dbraw/zinc/19/55/48/208195548.db2.gz FYENEZCCDJQRIV-UHFFFAOYSA-N -1 0 387.808 2.936 50 30 GFEARM Cc1[n-]n(S(=O)(=O)c2ccccc2)c(=O)c1N=Nc1cccc(Cl)c1 ZINC000100149652 520889940 /nfs/dbraw/zinc/88/99/40/520889940.db2.gz CPTPHDDLJVZUBS-XDJHFCHBSA-N -1 0 376.825 2.715 50 30 GFEARM COc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)cc1OC ZINC000022625736 523421188 /nfs/dbraw/zinc/42/11/88/523421188.db2.gz ICIPVCXYQZZOSY-NDENLUEZSA-N -1 0 397.427 2.858 50 30 GFEARM Cc1cccc(C(=O)Nc2ccc(N3CCN(CCC#N)CC3)cc2C(=O)[O-])c1 ZINC000045967674 524217944 /nfs/dbraw/zinc/21/79/44/524217944.db2.gz FQCDMEYVGKLOSA-UHFFFAOYSA-N -1 0 392.459 2.981 50 30 GFEARM C[C@H](C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000054426975 525918299 /nfs/dbraw/zinc/91/82/99/525918299.db2.gz MZBQTWWJFAYMKJ-XZHRJIJLSA-N -1 0 397.449 2.945 50 30 GFEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000019939416 526022635 /nfs/dbraw/zinc/02/26/35/526022635.db2.gz MXMYOQKMODGLPP-KRWDZBQOSA-N -1 0 396.355 2.566 50 30 GFEARM O=C([O-])Cc1sc(NN=Cc2ccc(-c3ccc(Cl)cc3)o2)nc1O ZINC000006998985 527631521 /nfs/dbraw/zinc/63/15/21/527631521.db2.gz LQKKHYXHUOXDQE-VFJJTOLMSA-N -1 0 377.809 2.996 50 30 GFEARM CN(CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)c1cccs1 ZINC000048461227 551156489 /nfs/dbraw/zinc/15/64/89/551156489.db2.gz VPTIFSIOYVLPQO-UHFFFAOYSA-N -1 0 378.884 2.880 50 30 GFEARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000004738603 570400131 /nfs/dbraw/zinc/40/01/31/570400131.db2.gz LEUBRDQZKOZADV-IXJMWADBSA-N -1 0 396.359 2.513 50 30 GFEARM CCOc1c(Cl)cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000042304506 570889358 /nfs/dbraw/zinc/88/93/58/570889358.db2.gz YQMPCSBVXCESGJ-UHFFFAOYSA-N -1 0 394.836 2.738 50 30 GFEARM COc1ccccc1/C=C1\Oc2c(ccc([O-])c2CN2CCN(C)CC2)C1=O ZINC000023078062 570902152 /nfs/dbraw/zinc/90/21/52/570902152.db2.gz OPFCSEVCGOLGMO-MOSHPQCFSA-N -1 0 380.444 2.764 50 30 GFEARM C=CCOc1ccc(CN(C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000008735217 209162352 /nfs/dbraw/zinc/16/23/52/209162352.db2.gz VPQFXQBHMAQHRS-UHFFFAOYSA-N -1 0 379.416 2.818 50 30 GFEARM CC(C)(O)C#Cc1ccccc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000004433164 209137963 /nfs/dbraw/zinc/13/79/63/209137963.db2.gz DECVGYJDVSFOTN-HXUWFJFHSA-N -1 0 390.439 2.716 50 30 GFEARM N#Cc1c2[nH]c(=O)cc([O-])c2sc1SCC(=O)c1ccc2c(c1)OCO2 ZINC000004945415 211557488 /nfs/dbraw/zinc/55/74/88/211557488.db2.gz YKRFGVSLTMGHPP-UHFFFAOYSA-N -1 0 386.410 2.871 50 30 GFEARM C=CCN1C(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)C(=O)NC1=S ZINC000015013574 518828268 /nfs/dbraw/zinc/82/82/68/518828268.db2.gz RWHRXYCLVQMLGZ-RVDMUPIBSA-N -1 0 381.413 2.829 50 30 GFEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007709167 518942873 /nfs/dbraw/zinc/94/28/73/518942873.db2.gz ZVOOVGMKDSQICZ-UHFFFAOYSA-N -1 0 399.472 2.530 50 30 GFEARM C=CCOc1ccc(-c2nnc(CCC(=O)NC3CCCC3)c(=O)[n-]2)cc1OC ZINC000034766298 519009350 /nfs/dbraw/zinc/00/93/50/519009350.db2.gz BQWXDZAUAQGWTR-UHFFFAOYSA-N -1 0 398.463 2.809 50 30 GFEARM O=C([O-])CCNS(=O)(=O)c1cccc(C(=O)/C=C\c2ccc(F)c(F)c2)c1 ZINC000096792641 534493269 /nfs/dbraw/zinc/49/32/69/534493269.db2.gz HFCJRDIHCMORAT-ALCCZGGFSA-N -1 0 395.383 2.614 50 30 GFEARM COc1cc(Br)c(S(=O)(=O)[N-]C(=O)C2CCC2)cc1OC ZINC000048580082 522024526 /nfs/dbraw/zinc/02/45/26/522024526.db2.gz XAIXDABAPPEHKG-UHFFFAOYSA-N -1 0 378.244 2.912 50 30 GFEARM O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(OCc3ccccc3)cc2)NC1=O ZINC000027551963 527631147 /nfs/dbraw/zinc/63/11/47/527631147.db2.gz KXQCVOGMLZUWRF-YODDIOPGSA-N -1 0 383.429 2.662 50 30 GFEARM CCN(CC)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000003212728 551092002 /nfs/dbraw/zinc/09/20/02/551092002.db2.gz CZWIEDCATPCICX-OAHLLOKOSA-N -1 0 377.491 2.972 50 30 GFEARM CCc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c(=O)c1C#N ZINC000005238949 570524326 /nfs/dbraw/zinc/52/43/26/570524326.db2.gz JJWKWYHJBCVYGJ-UHFFFAOYSA-N -1 0 382.367 2.954 50 30 GFEARM O=[N+]([O-])c1ccc([O-])c(C=NNc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000036328315 570618467 /nfs/dbraw/zinc/61/84/67/570618467.db2.gz RYUIJABLQNRBRV-ZVBGSRNCSA-N -1 0 375.348 2.875 50 30 GFEARM NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccccc2C(F)(F)F)c1=O ZINC000252461951 570960435 /nfs/dbraw/zinc/96/04/35/570960435.db2.gz OQDNRFJKNRYFIN-UHFFFAOYSA-N -1 0 391.378 2.963 50 30 GFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)COCC(F)(F)F)c(C(F)(F)F)c1 ZINC000084340776 571013673 /nfs/dbraw/zinc/01/36/73/571013673.db2.gz REFCPUPXFIDXTJ-UHFFFAOYSA-N -1 0 390.261 2.801 50 30 GFEARM Cc1ccc(S(=O)([O-])=NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000001035316 209291821 /nfs/dbraw/zinc/29/18/21/209291821.db2.gz HOGMBFRZDWOAMN-UHFFFAOYSA-N -1 0 397.497 2.541 50 30 GFEARM C#CCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000005826395 209143296 /nfs/dbraw/zinc/14/32/96/209143296.db2.gz DVZRCRHUWRAKEF-ATVHPVEESA-N -1 0 380.400 2.669 50 30 GFEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000018117771 211720704 /nfs/dbraw/zinc/72/07/04/211720704.db2.gz SHWUQLBYVQDELI-INIZCTEOSA-N -1 0 376.365 2.524 50 30 GFEARM COc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107023289 211442651 /nfs/dbraw/zinc/44/26/51/211442651.db2.gz VGFODWDUTHEJOB-LSDHHAIUSA-N -1 0 390.848 2.829 50 30 GFEARM COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000048598483 521921984 /nfs/dbraw/zinc/92/19/84/521921984.db2.gz PJSGLDHBSDLSIA-UHFFFAOYSA-N -1 0 380.809 2.922 50 30 GFEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000040153188 534814621 /nfs/dbraw/zinc/81/46/21/534814621.db2.gz VRWSPILKYVJIMB-UHFFFAOYSA-N -1 0 389.399 2.619 50 30 GFEARM Cc1ccc(Cc2nc(C(=O)[N-]S(=O)(=O)C[C@@H]3CCOC3)cs2)cc1 ZINC000091888512 570436403 /nfs/dbraw/zinc/43/64/03/570436403.db2.gz FPGRNFOCANKJDY-CQSZACIVSA-N -1 0 380.491 2.713 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000004576394 570904865 /nfs/dbraw/zinc/90/48/65/570904865.db2.gz AVZYMYRNAYIHOH-GOSISDBHSA-N -1 0 385.347 2.778 50 30 GFEARM CSc1ccc2cc(CN3CCC[C@@](C)(C#N)C3)c(=O)n(CC(=O)[O-])c2c1 ZINC000534629404 570908727 /nfs/dbraw/zinc/90/87/27/570908727.db2.gz OLPUOCNROZZDBW-FQEVSTJZSA-N -1 0 385.489 2.934 50 30 GFEARM O=C([O-])CNS(=O)(=O)c1cccc(C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000097992898 655038284 /nfs/dbraw/zinc/03/82/84/655038284.db2.gz HALVPHOEJDTXEA-TWGQIWQCSA-N -1 0 379.821 2.599 50 30 GFEARM CCCN(CC(=O)Nc1ccccc1C#N)Cc1nc(=O)c2sccc2[n-]1 ZINC000010088213 209321559 /nfs/dbraw/zinc/32/15/59/209321559.db2.gz VKPZJASFWFLBQQ-UHFFFAOYSA-N -1 0 381.461 2.707 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000842115 209272092 /nfs/dbraw/zinc/27/20/92/209272092.db2.gz INEBCABROWTEGI-MRXNPFEDSA-N -1 0 382.328 2.782 50 30 GFEARM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1O ZINC000001202846 209168547 /nfs/dbraw/zinc/16/85/47/209168547.db2.gz CGYDXOJGPBVAGF-LFIBNONCSA-N -1 0 378.384 2.796 50 30 GFEARM N#Cc1cc2c(nc1[N-]S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)CCCC2 ZINC000097164905 211360521 /nfs/dbraw/zinc/36/05/21/211360521.db2.gz RQJKZZJZTCLYHD-UHFFFAOYSA-N -1 0 382.445 2.518 50 30 GFEARM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)cnc1Cl ZINC000095466343 211246010 /nfs/dbraw/zinc/24/60/10/211246010.db2.gz PESVJKTUMRUEFK-UHFFFAOYSA-N -1 0 387.646 2.873 50 30 GFEARM COc1ccc(C2N=NC(=S)N2N=Cc2ccccc2OCC(=O)[O-])cc1 ZINC000019861018 523254483 /nfs/dbraw/zinc/25/44/83/523254483.db2.gz RDRYRCVNYRVVSF-GRSHGNNSSA-N -1 0 384.417 2.588 50 30 GFEARM COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCC(=O)[O-] ZINC000019904157 524803477 /nfs/dbraw/zinc/80/34/77/524803477.db2.gz HDJKZMOLQAKXJK-SFHVURJKSA-N -1 0 381.384 2.748 50 30 GFEARM COc1ccc(OC)c(NC(=O)C(=O)C=C([O-])c2cc(OC)ccc2OC)c1 ZINC000018044613 524845942 /nfs/dbraw/zinc/84/59/42/524845942.db2.gz DPPKUMGRGAGLPA-BOPFTXTBSA-N -1 0 387.388 2.984 50 30 GFEARM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000069282505 525909718 /nfs/dbraw/zinc/90/97/18/525909718.db2.gz IJPNKKDZSCZQBA-RKDXNWHRSA-N -1 0 398.300 2.740 50 30 GFEARM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000069282501 525915398 /nfs/dbraw/zinc/91/53/98/525915398.db2.gz IJPNKKDZSCZQBA-DTWKUNHWSA-N -1 0 398.300 2.740 50 30 GFEARM CSc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)NCC(=O)[O-])cc2)cc1 ZINC000013361945 525949910 /nfs/dbraw/zinc/94/99/10/525949910.db2.gz NMDIKQKGYXMXPE-NYYWCZLTSA-N -1 0 391.470 2.668 50 30 GFEARM Cc1nccc(-c2cccc([N-]/N=C(\C#N)S(=O)(=O)c3ccccn3)c2)n1 ZINC000001037625 527322441 /nfs/dbraw/zinc/32/24/41/527322441.db2.gz YSHHATNGYALNQB-HKOYGPOVSA-N -1 0 378.417 2.570 50 30 GFEARM O=C([O-])CCNS(=O)(=O)c1cccc(C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000211827681 570224250 /nfs/dbraw/zinc/22/42/50/570224250.db2.gz JNDKPHBVFHLLHH-TWGQIWQCSA-N -1 0 393.848 2.989 50 30 GFEARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C#N)ccc1F ZINC000023416746 570361720 /nfs/dbraw/zinc/36/17/20/570361720.db2.gz PWDWWXSMPSUIKG-LLVKDONJSA-N -1 0 378.381 2.704 50 30 GFEARM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000005153527 570429429 /nfs/dbraw/zinc/42/94/29/570429429.db2.gz PIUGKEMCKZWGQA-UHFFFAOYSA-N -1 0 387.848 2.848 50 30 GFEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])c(C)c3)o2)C1=O ZINC000013615999 570661918 /nfs/dbraw/zinc/66/19/18/570661918.db2.gz KBQKLCGJJOWDGX-GXDHUFHOSA-N -1 0 381.344 2.811 50 30 GFEARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)no1 ZINC000000940866 570731531 /nfs/dbraw/zinc/73/15/31/570731531.db2.gz HHIBVNVBVSPHDG-UHFFFAOYSA-N -1 0 382.401 2.908 50 30 GFEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4nccs4)c3=O)n2)cc1 ZINC000004756195 570992918 /nfs/dbraw/zinc/99/29/18/570992918.db2.gz NMGCHCDWGNHOQO-ZHZULCJRSA-N -1 0 398.473 2.888 50 30 GFEARM Cn1ncc(C2CC2)c1S(=O)(=O)[N-]c1cc(Br)ccc1C#N ZINC000888100758 663178444 /nfs/dbraw/zinc/17/84/44/663178444.db2.gz PBBINSXEQCHSAI-UHFFFAOYSA-N -1 0 381.255 2.732 50 30 GFEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000018059239 210213570 /nfs/dbraw/zinc/21/35/70/210213570.db2.gz KEHOEDMTRWXRQD-MRXNPFEDSA-N -1 0 376.365 2.524 50 30 GFEARM COc1cc(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)cc(OC)c1O ZINC000004751104 209522173 /nfs/dbraw/zinc/52/21/73/209522173.db2.gz BYPLIXDRZKQFEX-AWQFTUOYSA-N -1 0 378.392 2.983 50 30 GFEARM CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC(=O)[O-] ZINC000019910741 520496999 /nfs/dbraw/zinc/49/69/99/520496999.db2.gz WCNPJFTZMBOKCF-LJQANCHMSA-N -1 0 385.416 2.681 50 30 GFEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(NC(C)=O)ccc2F)cc1C ZINC000060044017 524995588 /nfs/dbraw/zinc/99/55/88/524995588.db2.gz MUMKMYVTKDHWQO-UHFFFAOYSA-N -1 0 380.397 2.795 50 30 GFEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(CN3CCCC3=O)cc2)n1 ZINC000006607507 526400019 /nfs/dbraw/zinc/40/00/19/526400019.db2.gz XYIHEWMTZLGHOA-INIZCTEOSA-N -1 0 397.456 2.607 50 30 GFEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000001129512 570245094 /nfs/dbraw/zinc/24/50/94/570245094.db2.gz KTKXCRWMSMSGPD-UHFFFAOYSA-N -1 0 377.378 2.821 50 30 GFEARM CCOC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005009678 570423735 /nfs/dbraw/zinc/42/37/35/570423735.db2.gz IREBJWRCBLXHSJ-INIZCTEOSA-N -1 0 381.344 2.733 50 30 GFEARM COc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc([N+](=O)[O-])c1[O-] ZINC000036247107 570542001 /nfs/dbraw/zinc/54/20/01/570542001.db2.gz CTESQEDXBDQVGC-KRWDZBQOSA-N -1 0 383.360 2.663 50 30 GFEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccc(OC)cc2OC)s1 ZINC000032891723 570889428 /nfs/dbraw/zinc/88/94/28/570889428.db2.gz ALDJAPDPRCRKAR-UHFFFAOYSA-N -1 0 398.466 2.868 50 30 GFEARM Cc1cccc(C)c1/N=C1/N=C(SCC(=O)[O-])N(CC(N)=O)C12CCCC2 ZINC000004550644 570896858 /nfs/dbraw/zinc/89/68/58/570896858.db2.gz ZGYGBCVOWCJASE-HEHNFIMWSA-N -1 0 388.493 2.621 50 30 GFEARM COc1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c([N+](=O)[O-])c1 ZINC000252460977 570959945 /nfs/dbraw/zinc/95/99/45/570959945.db2.gz JPPZUFIKUUOUIW-UHFFFAOYSA-N -1 0 398.335 2.702 50 30 GFEARM C#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000016182857 209167344 /nfs/dbraw/zinc/16/73/44/209167344.db2.gz HDQGCXAWBHJPCW-PDGQHHTCSA-N -1 0 376.412 2.785 50 30 GFEARM C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000014010988 209165832 /nfs/dbraw/zinc/16/58/32/209165832.db2.gz UFOLLZQSYBPZFS-YBEGLDIGSA-N -1 0 392.367 2.647 50 30 GFEARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C2CCCCC2)cc1 ZINC000095367704 518400799 /nfs/dbraw/zinc/40/07/99/518400799.db2.gz WGJQXAGTCQMGKT-LBPRGKRZSA-N -1 0 380.466 2.619 50 30 GFEARM O=C([O-])C[C@@H]1S/C(=N/N=C/c2cccc(OCc3ccccc3)c2)NC1=O ZINC000001151884 534504400 /nfs/dbraw/zinc/50/44/00/534504400.db2.gz HZNMIWMTFVMNCX-YODDIOPGSA-N -1 0 383.429 2.662 50 30 GFEARM C[C@H](C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000054426972 525917915 /nfs/dbraw/zinc/91/79/15/525917915.db2.gz MZBQTWWJFAYMKJ-YLGBQOPLSA-N -1 0 397.449 2.945 50 30 GFEARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=NNc1cccc(C(F)(F)F)c1 ZINC000100746301 527048238 /nfs/dbraw/zinc/04/82/38/527048238.db2.gz JACZEPXSVQDUET-QRVIBDJDSA-N -1 0 376.294 2.756 50 30 GFEARM CS(=O)(=O)c1ncc(Cl)c(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC000006244621 570348234 /nfs/dbraw/zinc/34/82/34/570348234.db2.gz ZFPTXBBPWOVPDY-LLVKDONJSA-N -1 0 386.820 2.572 50 30 GFEARM COc1ccc(/C=N/N=C2/S[C@@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1 ZINC000005101371 570429267 /nfs/dbraw/zinc/42/92/67/570429267.db2.gz TUXQJGHLHDZSOD-SYQVOFSZSA-N -1 0 399.428 2.714 50 30 GFEARM CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000004699162 570843654 /nfs/dbraw/zinc/84/36/54/570843654.db2.gz LWHRNDIFZMMLKZ-WOJGMQOQSA-N -1 0 377.422 2.910 50 30 GFEARM C[C@H]1Cc2cc(S(=O)(=O)[N-]C(=O)c3cccc(CC#N)c3)cc(Cl)c2O1 ZINC000170628855 570883400 /nfs/dbraw/zinc/88/34/00/570883400.db2.gz XBZUTWLMFLMCIU-NSHDSACASA-N -1 0 390.848 2.848 50 30 GFEARM COC(=O)C=C1SC(=N[N-]c2nc(C)cc(C)n2)N(c2ccccc2)C1=O ZINC000007636124 571007874 /nfs/dbraw/zinc/00/78/74/571007874.db2.gz PWNSRJWCCFCGGK-DDJYZJNBSA-N -1 0 383.433 2.613 50 30 GFEARM CCOc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(Br)c1O ZINC000105640213 655096582 /nfs/dbraw/zinc/09/65/82/655096582.db2.gz XBKCXCSUIVZDQO-FOSCPCJNSA-N -1 0 395.205 2.782 50 30 GFEARM COCc1cc(=O)[n-]c(N=C(NC(=O)c2ccccc2)Nc2ccc(F)cc2)n1 ZINC000002605369 209371709 /nfs/dbraw/zinc/37/17/09/209371709.db2.gz LIWHNHMFFZNXOI-UHFFFAOYSA-N -1 0 395.394 2.585 50 30 GFEARM C#CCN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])c(Br)c2)C1=O ZINC000033286795 518264815 /nfs/dbraw/zinc/26/48/15/518264815.db2.gz CNOPCJKZLXPOPW-GHXNOFRVSA-N -1 0 396.218 2.582 50 30 GFEARM C=CCn1c(SCC(=O)[O-])nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000072328144 519228590 /nfs/dbraw/zinc/22/85/90/519228590.db2.gz WTMJOQMLZVAGEI-SNVBAGLBSA-N -1 0 380.857 2.785 50 30 GFEARM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000095444262 523818845 /nfs/dbraw/zinc/81/88/45/523818845.db2.gz YDOWFAUWEGJGPO-JTQLQIEISA-N -1 0 380.463 2.667 50 30 GFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-n3ccnc3)cc2)cc1N(C)C ZINC000095456293 525483188 /nfs/dbraw/zinc/48/31/88/525483188.db2.gz KIOVUDDRKFKSNW-UHFFFAOYSA-N -1 0 384.461 2.940 50 30 GFEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013207844 527590179 /nfs/dbraw/zinc/59/01/79/527590179.db2.gz FQJLFIRNGAZTKN-KRWDZBQOSA-N -1 0 396.355 2.648 50 30 GFEARM CCNC(=S)N=NCc1cc(Br)c([O-])c(Br)c1O ZINC000252477828 553149789 /nfs/dbraw/zinc/14/97/89/553149789.db2.gz VZEJIWBPZQGRAT-UHFFFAOYSA-N -1 0 397.092 2.852 50 30 GFEARM C=CCNC(=O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1 ZINC000024976064 570303739 /nfs/dbraw/zinc/30/37/39/570303739.db2.gz DVMRKICRROBYDA-SNVBAGLBSA-N -1 0 389.868 2.957 50 30 GFEARM N#Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cn2)nc1-c1ccco1 ZINC000006653253 570520750 /nfs/dbraw/zinc/52/07/50/570520750.db2.gz UFTCIGZAWVCSTO-UHFFFAOYSA-N -1 0 387.808 2.681 50 30 GFEARM CCc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)[n-]c(=O)c1C#N ZINC000005238925 570523389 /nfs/dbraw/zinc/52/33/89/570523389.db2.gz VFDYUHJYAJURBM-UHFFFAOYSA-N -1 0 382.367 2.954 50 30 GFEARM O=C([O-])CNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000012801481 570813626 /nfs/dbraw/zinc/81/36/26/570813626.db2.gz HALVPHOEJDTXEA-RMKNXTFCSA-N -1 0 379.821 2.599 50 30 GFEARM COC(=O)/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(Cc2ccco2)C1=O ZINC000004715702 570856263 /nfs/dbraw/zinc/85/62/63/570856263.db2.gz FMENHTQPHUYMSJ-QEDPKASPSA-N -1 0 386.385 2.798 50 30 GFEARM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1C ZINC000042338695 570889870 /nfs/dbraw/zinc/88/98/70/570889870.db2.gz FEROYESLMXTIEU-UHFFFAOYSA-N -1 0 377.418 2.858 50 30 GFEARM N#Cc1cccc(OCc2cccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)c2)c1 ZINC000170646016 570982894 /nfs/dbraw/zinc/98/28/94/570982894.db2.gz LOXAIVFHUDVVIW-UHFFFAOYSA-N -1 0 398.362 2.759 50 30 GFEARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C2CCCCC2)c1 ZINC000084001783 570990044 /nfs/dbraw/zinc/99/00/44/570990044.db2.gz GFVUJNHCLWWKJI-LBPRGKRZSA-N -1 0 380.466 2.619 50 30 GFEARM NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2cccc(C(F)(F)F)c2)c1=O ZINC000252610773 571014736 /nfs/dbraw/zinc/01/47/36/571014736.db2.gz IDLIMHBMLFYGCM-UHFFFAOYSA-N -1 0 391.378 2.963 50 30 GFEARM COc1cc(Br)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000003582366 654442876 /nfs/dbraw/zinc/44/28/76/654442876.db2.gz OSXMOBAGBJLNIR-APHBUQMISA-N -1 0 395.205 2.695 50 30 GFEARM CCCCCCCCCn1c(SCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000002262061 209353534 /nfs/dbraw/zinc/35/35/34/209353534.db2.gz JPYFDXQBTFJRCM-UHFFFAOYSA-N -1 0 396.513 2.741 50 30 GFEARM C/C(=N\NS(=O)(=O)c1cc(Cl)ccc1Cl)c1c([O-])cc(C)oc1=O ZINC000017079869 518462848 /nfs/dbraw/zinc/46/28/48/518462848.db2.gz OLNYUIOLPMOJAH-CAOOACKPSA-N -1 0 391.232 2.663 50 30 GFEARM CC(=O)NCCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000101478608 519663208 /nfs/dbraw/zinc/66/32/08/519663208.db2.gz QRTAZZKIZPOVIS-GHNGSUTGSA-N -1 0 398.846 2.898 50 30 GFEARM CCCCc1ccc(S(=O)(=O)N/N=C(\C)c2c([O-])cc(C)oc2=O)cc1 ZINC000017077372 521285602 /nfs/dbraw/zinc/28/56/02/521285602.db2.gz COMUZBAJRZBEKF-CPNJWEJPSA-N -1 0 378.450 2.699 50 30 GFEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102927274 523789060 /nfs/dbraw/zinc/78/90/60/523789060.db2.gz AHMXBPGATDTLIJ-GHNGSUTGSA-N -1 0 385.391 2.902 50 30 GFEARM COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCCCCC(=O)[O-])cc1OC ZINC000018128531 525393013 /nfs/dbraw/zinc/39/30/13/525393013.db2.gz AZXRFSSGVGACJJ-SFHVURJKSA-N -1 0 391.420 2.633 50 30 GFEARM C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000071846760 525903544 /nfs/dbraw/zinc/90/35/44/525903544.db2.gz MMMFMZARSMYKCG-STQMWFEESA-N -1 0 396.440 2.993 50 30 GFEARM N#CCCN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020744959 526460600 /nfs/dbraw/zinc/46/06/00/526460600.db2.gz BTXOIRGDYFOQSD-INIZCTEOSA-N -1 0 391.269 2.587 50 30 GFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccc(Cl)cc2)cc1 ZINC000042304110 551139067 /nfs/dbraw/zinc/13/90/67/551139067.db2.gz YGCCMEOGTDUZPX-UHFFFAOYSA-N -1 0 376.821 2.680 50 30 GFEARM CCCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000048470232 570252230 /nfs/dbraw/zinc/25/22/30/570252230.db2.gz UDJAXNOFGOFBBH-UHFFFAOYSA-N -1 0 377.418 2.940 50 30 GFEARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)[n-]c2=O)cc1 ZINC000024747991 570288944 /nfs/dbraw/zinc/28/89/44/570288944.db2.gz KMISMPTXPHMJTQ-UHFFFAOYSA-N -1 0 393.428 2.855 50 30 GFEARM CCN1C(=O)[C@H](CC(=O)NC)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000004699867 570394625 /nfs/dbraw/zinc/39/46/25/570394625.db2.gz DYNASWLPERPIEJ-JPCVJQKGSA-N -1 0 376.265 2.787 50 30 GFEARM C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000064358353 570443213 /nfs/dbraw/zinc/44/32/13/570443213.db2.gz MMMFMZARSMYKCG-CHWSQXEVSA-N -1 0 396.440 2.993 50 30 GFEARM COc1ccccc1C1N=NC(=S)N1N=Cc1ccccc1OCC(=O)[O-] ZINC000010167424 570671296 /nfs/dbraw/zinc/67/12/96/570671296.db2.gz JZTYRGCZYJIGKZ-VXLYETTFSA-N -1 0 384.417 2.588 50 30 GFEARM O=C([O-])c1cc(/C=N\c2ccc3c(c2)OCCOCCOCCO3)ccc1O ZINC000033090791 570808960 /nfs/dbraw/zinc/80/89/60/570808960.db2.gz AMJNLZSWWMMGMA-BKUYFWCQSA-N -1 0 387.388 2.645 50 30 GFEARM N#Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)o2)cc1 ZINC000004688073 570834086 /nfs/dbraw/zinc/83/40/86/570834086.db2.gz YHWQYFZQSDBRII-LICLKQGHSA-N -1 0 384.351 2.880 50 30 GFEARM COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(C(=O)[O-])c1OC ZINC000001301837 570956937 /nfs/dbraw/zinc/95/69/37/570956937.db2.gz FAMUNFHWAWDYRW-WSDLNYQXSA-N -1 0 395.415 2.950 50 30 GFEARM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C)c1 ZINC000066003355 571038134 /nfs/dbraw/zinc/03/81/34/571038134.db2.gz PDGWOGDFCOJEML-UHFFFAOYSA-N -1 0 377.466 2.741 50 30 GFEARM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccnc(Br)c2)n1 ZINC000084800527 571038796 /nfs/dbraw/zinc/03/87/96/571038796.db2.gz JIYHRDUANRPBPK-VIFPVBQESA-N -1 0 380.223 2.967 50 30 GFEARM CCOc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(Br)c1O ZINC000105640217 655096598 /nfs/dbraw/zinc/09/65/98/655096598.db2.gz XBKCXCSUIVZDQO-XVWMLYKFSA-N -1 0 395.205 2.782 50 30 GFEARM C=C(C)COc1ccc2c(C)c(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(=O)oc2c1 ZINC000012895236 211691415 /nfs/dbraw/zinc/69/14/15/211691415.db2.gz XIEHHNNKAYCHFX-OAHLLOKOSA-N -1 0 399.443 2.922 50 30 GFEARM COc1cc([N-]S(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)ncn1 ZINC000101166860 211396010 /nfs/dbraw/zinc/39/60/10/211396010.db2.gz FATXGEVDNURZIE-YBFXNURJSA-N -1 0 384.417 2.742 50 30 GFEARM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1O ZINC000015723121 519123991 /nfs/dbraw/zinc/12/39/91/519123991.db2.gz CGYDXOJGPBVAGF-WJDWOHSUSA-N -1 0 378.384 2.796 50 30 GFEARM Cc1ccc(N2C(=O)C(=CNc3ccc(C)cc3[N+](=O)[O-])C(=O)[N-]C2=S)cc1 ZINC000100200075 524929754 /nfs/dbraw/zinc/92/97/54/524929754.db2.gz JHWCAJAXNVXCIF-DGURAOSJSA-N -1 0 396.428 2.978 50 30 GFEARM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000069282495 525907481 /nfs/dbraw/zinc/90/74/81/525907481.db2.gz IJPNKKDZSCZQBA-IUCAKERBSA-N -1 0 398.300 2.740 50 30 GFEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccnc2)s1 ZINC000102750296 526354163 /nfs/dbraw/zinc/35/41/63/526354163.db2.gz OVDIPTRTYSHBGP-REQDGWNSSA-N -1 0 384.442 2.929 50 30 GFEARM COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1C ZINC000004738552 570399853 /nfs/dbraw/zinc/39/98/53/570399853.db2.gz DTCIYANKKRCXLI-GTQIFZCBSA-N -1 0 397.362 2.522 50 30 GFEARM O=C([O-])C[C@H]1S/C(=N/N=C/c2cccc(OCc3ccccc3)c2)NC1=O ZINC000004755973 570403754 /nfs/dbraw/zinc/40/37/54/570403754.db2.gz HZNMIWMTFVMNCX-MBTVCVBTSA-N -1 0 383.429 2.662 50 30 GFEARM CC(=O)/N=C1/NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)S1 ZINC000005583413 570447938 /nfs/dbraw/zinc/44/79/38/570447938.db2.gz HCHJHYKALNXARL-SXGWCWSVSA-N -1 0 383.429 2.899 50 30 GFEARM COc1ccccc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107023285 570969879 /nfs/dbraw/zinc/96/98/79/570969879.db2.gz VGFODWDUTHEJOB-CABCVRRESA-N -1 0 390.848 2.829 50 30 GFEARM C=CC[C@@H]1N(c2ccc(Br)cc2)C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000095495806 570996079 /nfs/dbraw/zinc/99/60/79/570996079.db2.gz FSANEYMMOLSSOZ-KQVLKZGSSA-N -1 0 390.233 2.765 50 30 GFEARM CCOc1ccc(CC(=O)C2=C(N[C@H](C)C(=O)[O-])CCCC2=O)cc1OCC ZINC000001421805 212243747 /nfs/dbraw/zinc/24/37/47/212243747.db2.gz IYCHNUIBGBRZKZ-CYBMUJFWSA-N -1 0 389.448 2.665 50 30 GFEARM C=CCc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc(OC)c1O ZINC000013880023 212097773 /nfs/dbraw/zinc/09/77/73/212097773.db2.gz KXQBMWJRSZTLQV-LCYFTJDESA-N -1 0 379.459 2.805 50 30 GFEARM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528969200 564811700 /nfs/dbraw/zinc/81/17/00/564811700.db2.gz PPKIRFAQRKEZJN-AXFHLTTASA-N -1 0 378.251 2.939 50 30 GFEARM O=C([O-])COc1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000244601979 570435797 /nfs/dbraw/zinc/43/57/97/570435797.db2.gz DVKHZXVWGLNOBV-UHFFFAOYSA-N -1 0 387.867 2.955 50 30 GFEARM N#Cc1c2c(sc1NC=C1C(=O)[N-]C(=O)N(c3ccccc3)C1=O)CCC2 ZINC000005648019 570449913 /nfs/dbraw/zinc/44/99/13/570449913.db2.gz AXXOTEAXQTVMSE-UVTDQMKNSA-N -1 0 378.413 2.687 50 30 GFEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017015899 570937017 /nfs/dbraw/zinc/93/70/17/570937017.db2.gz ZRZNPMRYTVJJRE-QGZVFWFLSA-N -1 0 396.355 2.566 50 30 GFEARM COc1ccccc1CNC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O ZINC000170624757 231028784 /nfs/dbraw/zinc/02/87/84/231028784.db2.gz VAWQUENZDISAJJ-UHFFFAOYSA-N -1 0 377.400 2.559 50 30 GFEARM N#CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000001409489 220495906 /nfs/dbraw/zinc/49/59/06/220495906.db2.gz BKPJDYYSPWBLRU-LICLKQGHSA-N -1 0 388.358 2.970 50 30 GFEARM Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc2oc1=O ZINC000005355146 220861380 /nfs/dbraw/zinc/86/13/80/220861380.db2.gz UBWJUDOIRZEVHI-UHFFFAOYSA-N -1 0 377.809 2.652 50 30 GFEARM CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccccc2C(=O)[O-])cc1 ZINC000006876122 220973735 /nfs/dbraw/zinc/97/37/35/220973735.db2.gz HKBZSUSXZOQFEY-YBFXNURJSA-N -1 0 383.433 2.908 50 30 GFEARM CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O ZINC000008856136 221061637 /nfs/dbraw/zinc/06/16/37/221061637.db2.gz FNZWPOYLFOLJND-UHFFFAOYSA-N -1 0 399.428 2.769 50 30 GFEARM N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000016120852 221357678 /nfs/dbraw/zinc/35/76/78/221357678.db2.gz WGZGDNVHVPOIPK-UHFFFAOYSA-N -1 0 395.234 2.893 50 30 GFEARM COc1cc2c(cc1-c1cc(-c3cc(C(=O)[O-])n[nH]3)nc(N)c1C#N)CCC2 ZINC000071712065 222188661 /nfs/dbraw/zinc/18/86/61/222188661.db2.gz PPNXYMCBQGQMET-UHFFFAOYSA-N -1 0 375.388 2.788 50 30 GFEARM COC(=O)c1ccccc1-c1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)o1 ZINC000033477526 522256086 /nfs/dbraw/zinc/25/60/86/522256086.db2.gz LTSDOBZYWQZYQB-FUKPKEADSA-N -1 0 380.352 2.961 50 30 GFEARM COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCCCCC(=O)[O-])c(OC)c1 ZINC000020112826 525392948 /nfs/dbraw/zinc/39/29/48/525392948.db2.gz OGAKEOQWGPMAAJ-SFHVURJKSA-N -1 0 391.420 2.633 50 30 GFEARM O=C([O-])COc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000012561749 527620266 /nfs/dbraw/zinc/62/02/66/527620266.db2.gz DVKHZXVWGLNOBV-LPYMAVHISA-N -1 0 387.867 2.955 50 30 GFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000042304584 551139152 /nfs/dbraw/zinc/13/91/52/551139152.db2.gz QOWYODXGABSPBR-UHFFFAOYSA-N -1 0 375.456 2.862 50 30 GFEARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(F)c(C#N)c2)c1 ZINC000253424918 553151459 /nfs/dbraw/zinc/15/14/59/553151459.db2.gz MKFMFFCLUIWOLZ-UHFFFAOYSA-N -1 0 380.784 2.672 50 30 GFEARM COc1ccccc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107023281 570969926 /nfs/dbraw/zinc/96/99/26/570969926.db2.gz VGFODWDUTHEJOB-GJZGRUSLSA-N -1 0 390.848 2.829 50 30 GFEARM CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000004689575 212079621 /nfs/dbraw/zinc/07/96/21/212079621.db2.gz OXABRYHXDAWPGS-FQEVSTJZSA-N -1 0 390.439 2.716 50 30 GFEARM CS(=O)(=O)c1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3s2)n1 ZINC000003216617 220610370 /nfs/dbraw/zinc/61/03/70/220610370.db2.gz LBKIJMVWWJCENT-MRVPVSSYSA-N -1 0 392.849 2.633 50 30 GFEARM O=C(Cc1csc([N-]N=C2C(=O)Nc3ccccc32)n1)Nc1ccccc1 ZINC000017221917 221381472 /nfs/dbraw/zinc/38/14/72/221381472.db2.gz HWJFPWWYSFAXOO-UHFFFAOYSA-N -1 0 377.429 2.515 50 30 GFEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095497225 222331749 /nfs/dbraw/zinc/33/17/49/222331749.db2.gz PHRQOGODXVXCAB-MRXNPFEDSA-N -1 0 379.464 2.984 50 30 GFEARM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1cccs1 ZINC000048601084 519694356 /nfs/dbraw/zinc/69/43/56/519694356.db2.gz XQNOZZJZRQMFNB-CQSZACIVSA-N -1 0 377.447 2.532 50 30 GFEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000019939414 526021163 /nfs/dbraw/zinc/02/11/63/526021163.db2.gz MXMYOQKMODGLPP-QGZVFWFLSA-N -1 0 396.355 2.566 50 30 GFEARM N#CCCN1CCN(c2ccc(NC(=O)Cc3cccs3)c(C(=O)[O-])c2)CC1 ZINC000045967746 526460895 /nfs/dbraw/zinc/46/08/95/526460895.db2.gz XKECGIRAVQVXKF-UHFFFAOYSA-N -1 0 398.488 2.663 50 30 GFEARM O=C(CCS(=O)(=O)C1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000058381841 551183045 /nfs/dbraw/zinc/18/30/45/551183045.db2.gz LLFVZUBZPWOLHZ-UHFFFAOYSA-N -1 0 397.877 2.872 50 30 GFEARM COc1ccc([N+](=O)[O-])cc1[N-]/N=C(/C(C)=O)S(=O)(=O)c1ccc(C)cc1 ZINC000004567355 570384968 /nfs/dbraw/zinc/38/49/68/570384968.db2.gz WOVMNBMMRLHKDL-ZPHPHTNESA-N -1 0 391.405 2.700 50 30 GFEARM NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccccc2C(F)(F)F)c1=O ZINC000008658673 570536552 /nfs/dbraw/zinc/53/65/52/570536552.db2.gz OQDNRFJKNRYFIN-UCQKPKSFSA-N -1 0 391.378 2.963 50 30 GFEARM O=C([O-])CSC1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O ZINC000101287963 570818165 /nfs/dbraw/zinc/81/81/65/570818165.db2.gz LYAAGWQBPRHYLM-CYVLTUHYSA-N -1 0 387.438 2.763 50 30 GFEARM CC(=O)N=C1C=CC(=C([O-])N=c2[nH]c3ccc(S(C)(=O)=O)cc3s2)C=C1 ZINC000334158642 570876307 /nfs/dbraw/zinc/87/63/07/570876307.db2.gz YVXKYLXRRWFWAL-UHFFFAOYSA-N -1 0 389.458 2.995 50 30 GFEARM Cc1[nH]c2ccccc2c1CCNC(=O)[N-]S(=O)(=O)Oc1ccc(F)cc1 ZINC000003622353 570878253 /nfs/dbraw/zinc/87/82/53/570878253.db2.gz PFXSPNFUKGOAOU-UHFFFAOYSA-N -1 0 391.424 2.985 50 30 GFEARM CC(C)(C)c1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000170645546 655144693 /nfs/dbraw/zinc/14/46/93/655144693.db2.gz FIUDOQBTBSIPLZ-RMKNXTFCSA-N -1 0 375.475 2.831 50 30 GFEARM C=C(C)COc1ccc2c(C)c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(=O)oc2c1 ZINC000012895243 221242738 /nfs/dbraw/zinc/24/27/38/221242738.db2.gz XIEHHNNKAYCHFX-HNNXBMFYSA-N -1 0 399.443 2.922 50 30 GFEARM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000095447835 526235418 /nfs/dbraw/zinc/23/54/18/526235418.db2.gz ZZODYGZUZFBLJC-AWEZNQCLSA-N -1 0 391.449 2.902 50 30 GFEARM O=C1C(=O)N(c2ncccn2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccco1 ZINC000001153639 570249570 /nfs/dbraw/zinc/24/95/70/570249570.db2.gz APKNBHCALFKOCW-OAHLLOKOSA-N -1 0 392.327 2.761 50 30 GFEARM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Cc1cc(C)ccc1OC ZINC000048460240 570251973 /nfs/dbraw/zinc/25/19/73/570251973.db2.gz SOVQALCJWVWXBY-UHFFFAOYSA-N -1 0 377.418 2.678 50 30 GFEARM O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccccc2OCc2ccccc2)NC1=O ZINC000001177327 570254489 /nfs/dbraw/zinc/25/44/89/570254489.db2.gz IGNFJLHAPOZUAP-YODDIOPGSA-N -1 0 383.429 2.662 50 30 GFEARM O=C1C=CC(=C(c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)[O-])CC1=O ZINC000100439037 570272293 /nfs/dbraw/zinc/27/22/93/570272293.db2.gz HGPSVOAVAYJEIJ-XDHOZWIPSA-N -1 0 386.381 2.727 50 30 in-vitro GFEARM C=CCOc1c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cccc1OC ZINC000002832814 570393736 /nfs/dbraw/zinc/39/37/36/570393736.db2.gz MYRGXFHONFQZMV-JLHYYAGUSA-N -1 0 379.459 2.936 50 30 GFEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004888803 570415642 /nfs/dbraw/zinc/41/56/42/570415642.db2.gz HZFYWUSYLNQQGO-MRXNPFEDSA-N -1 0 382.328 2.782 50 30 GFEARM CCN1C(=O)C[C@@H](C(=O)NC)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000100637703 570420760 /nfs/dbraw/zinc/42/07/60/570420760.db2.gz LTVKKSZZJPMCKC-JPCVJQKGSA-N -1 0 376.265 2.787 50 30 GFEARM CC(=O)N[C@@H](CC(=O)N(CCC(=O)[O-])C1CCOCC1)c1c(F)cccc1F ZINC000328594875 600963450 /nfs/dbraw/zinc/96/34/50/600963450.db2.gz FHUUJPIYRWPHAK-INIZCTEOSA-N -1 0 398.406 2.855 50 30 GFEARM CC(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O ZINC000100228199 520174990 /nfs/dbraw/zinc/17/49/90/520174990.db2.gz LHNLJCIQPIXWIO-ZDUSSCGKSA-N -1 0 396.484 2.566 50 30 GFEARM CCOC([O-])=NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1 ZINC000001038479 520389904 /nfs/dbraw/zinc/38/99/04/520389904.db2.gz DZMHELUPYVKAFI-UHFFFAOYSA-N -1 0 383.373 2.807 50 30 GFEARM COc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)c(OC)c1 ZINC000022625745 523421570 /nfs/dbraw/zinc/42/15/70/523421570.db2.gz QXUPZUHUCZPBEN-JAIQZWGSSA-N -1 0 397.427 2.858 50 30 GFEARM Cc1cccc(C(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)[O-])c2)c1 ZINC000033078738 524218520 /nfs/dbraw/zinc/21/85/20/524218520.db2.gz VSNXOUBOJCOTMI-UHFFFAOYSA-N -1 0 392.459 2.981 50 30 GFEARM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000069282202 525909423 /nfs/dbraw/zinc/90/94/23/525909423.db2.gz FKEGQAPNTXYUFF-ZYHUDNBSSA-N -1 0 392.271 2.678 50 30 GFEARM O=C([O-])C[C@H]1S/C(=N/N=C/c2ccc(OCc3ccccc3)cc2)NC1=O ZINC000027551965 527637856 /nfs/dbraw/zinc/63/78/56/527637856.db2.gz KXQCVOGMLZUWRF-MBTVCVBTSA-N -1 0 383.429 2.662 50 30 GFEARM O=C([O-])C[C@H]1S/C(=N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=O ZINC000004802322 551095129 /nfs/dbraw/zinc/09/51/29/551095129.db2.gz LQKKHYXHUOXDQE-NACCWKTGSA-N -1 0 377.809 2.996 50 30 GFEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)oc(C)c2C)cc1NC(C)=O ZINC000048477319 570252062 /nfs/dbraw/zinc/25/20/62/570252062.db2.gz QKXRFAITXWQNPX-UHFFFAOYSA-N -1 0 380.422 2.865 50 30 GFEARM COC(=O)c1[n-]c(=O)c(C#N)c(C(=O)OC)c1C(=O)c1ccc2ccccc2c1 ZINC000004395417 570727494 /nfs/dbraw/zinc/72/74/94/570727494.db2.gz RPERVWGWEJIIRR-UHFFFAOYSA-N -1 0 390.351 2.616 50 30 GFEARM CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])cc1 ZINC000004687024 570831686 /nfs/dbraw/zinc/83/16/86/570831686.db2.gz DDVADGNCURMPKL-IBGZPJMESA-N -1 0 397.496 2.925 50 30 GFEARM CCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(C[C@@H]3CCCO3)c2[O-])cc1 ZINC000016806552 221371266 /nfs/dbraw/zinc/37/12/66/221371266.db2.gz LONPUTBQEZUBCL-KRWDZBQOSA-N -1 0 396.443 2.933 50 30 GFEARM COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000217684491 533615125 /nfs/dbraw/zinc/61/51/25/533615125.db2.gz BMVNTLAQDOGYMJ-HNNXBMFYSA-N -1 0 394.379 2.996 50 30 GFEARM CC(=O)N(C)c1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000100251531 519451599 /nfs/dbraw/zinc/45/15/99/519451599.db2.gz AIDKIRDCLLNQLF-DYTRJAOYSA-N -1 0 394.391 2.768 50 30 GFEARM C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000058080786 526235729 /nfs/dbraw/zinc/23/57/29/526235729.db2.gz DDFSXDJTLAWTII-NSHDSACASA-N -1 0 377.459 2.607 50 30 GFEARM CCOC(=O)c1cc(C([O-])(C(F)(F)F)C(F)(F)F)c(N=CN(C)C)o1 ZINC000252512536 553149912 /nfs/dbraw/zinc/14/99/12/553149912.db2.gz RZVDMLQGGBKGMD-UHFFFAOYSA-N -1 0 376.253 2.990 50 30 GFEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001179135 570254871 /nfs/dbraw/zinc/25/48/71/570254871.db2.gz XUXJUHUVLJAMKH-QGZVFWFLSA-N -1 0 396.355 2.648 50 30 GFEARM COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1OC ZINC000005062169 570427631 /nfs/dbraw/zinc/42/76/31/570427631.db2.gz DSKSTVDHQNBVKI-SFHVURJKSA-N -1 0 397.383 2.891 50 30 GFEARM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(-c2cccc(C#N)c2)o1 ZINC000170617427 570876535 /nfs/dbraw/zinc/87/65/35/570876535.db2.gz RZPSBMMGLOXIDV-UHFFFAOYSA-N -1 0 385.361 2.626 50 30 GFEARM C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1 ZINC000002726974 570988889 /nfs/dbraw/zinc/98/88/89/570988889.db2.gz DMUSEUJBMHHKNT-LDADJPATSA-N -1 0 379.416 2.751 50 30 GFEARM COc1ccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000020112823 212152111 /nfs/dbraw/zinc/15/21/11/212152111.db2.gz LJBCVRCSCRWFNO-GOSISDBHSA-N -1 0 397.383 2.891 50 30 GFEARM COc1cc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)ccc1OCC(=O)[O-] ZINC000096792832 533507173 /nfs/dbraw/zinc/50/71/73/533507173.db2.gz HNFIQBNKPKUCNG-YWEYNIOJSA-N -1 0 397.427 2.891 50 30 GFEARM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000069571241 222174133 /nfs/dbraw/zinc/17/41/33/222174133.db2.gz OQOMTQYLQJJEQX-HNNXBMFYSA-N -1 0 398.362 2.770 50 30 GFEARM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000069571245 222175373 /nfs/dbraw/zinc/17/53/73/222175373.db2.gz OQOMTQYLQJJEQX-OAHLLOKOSA-N -1 0 398.362 2.770 50 30 GFEARM Cc1cc(OCC(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)ccc1Cl ZINC000069548385 222175531 /nfs/dbraw/zinc/17/55/31/222175531.db2.gz NQVSDYRMTCCRFZ-UHFFFAOYSA-N -1 0 378.837 2.545 50 30 GFEARM COCCN(CCOC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C\c1ccncc1)O2 ZINC000037857521 523715906 /nfs/dbraw/zinc/71/59/06/523715906.db2.gz SDJXELKCCNQWBC-CPNJWEJPSA-N -1 0 398.459 2.807 50 30 GFEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000102713620 523789274 /nfs/dbraw/zinc/78/92/74/523789274.db2.gz PERNKZLQKWQVOO-WOOAAIBNSA-N -1 0 397.427 2.777 50 30 GFEARM COc1ccc(Cc2n[n-]c(N/N=C(\C)c3ccccc3)nc2=O)cc1OC ZINC000006681607 524161686 /nfs/dbraw/zinc/16/16/86/524161686.db2.gz FFMBDINWWVJGTN-LPYMAVHISA-N -1 0 379.420 2.609 50 30 GFEARM COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCC(=O)[O-] ZINC000019904159 524747750 /nfs/dbraw/zinc/74/77/50/524747750.db2.gz HDJKZMOLQAKXJK-GOSISDBHSA-N -1 0 381.384 2.748 50 30 GFEARM C[C@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000095389947 525918922 /nfs/dbraw/zinc/91/89/22/525918922.db2.gz DDFSXDJTLAWTII-LLVKDONJSA-N -1 0 377.459 2.607 50 30 GFEARM CCOC(=O)CC/C(C)=N\N=C1\S[C@@H](CC(=O)[O-])C(=O)N1c1ccccc1 ZINC000005091640 570415570 /nfs/dbraw/zinc/41/55/70/570415570.db2.gz GDMUZFFAUVTNPU-ZWKWWKBSSA-N -1 0 391.449 2.685 50 30 GFEARM C[C@@H](NS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000033785005 570417655 /nfs/dbraw/zinc/41/76/55/570417655.db2.gz FQBUNYLGZVLAHO-CSXHZRMWSA-N -1 0 393.848 2.988 50 30 GFEARM COc1ccc(-n2cc(C(=O)c3cc(C)ccc3[O-])cc(C#N)c2=O)cc1OC ZINC000005861920 570798102 /nfs/dbraw/zinc/79/81/02/570798102.db2.gz PRSLJLCRYNYMJQ-UHFFFAOYSA-N -1 0 390.395 2.971 50 30 GFEARM COc1cccc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(C)CC3)C2=O)c1 ZINC000023078071 570902145 /nfs/dbraw/zinc/90/21/45/570902145.db2.gz AFDBINWOZFXCMV-MOSHPQCFSA-N -1 0 380.444 2.764 50 30 GFEARM Cc1ccc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(N)=O)c2)s1 ZINC000079053156 655006601 /nfs/dbraw/zinc/00/66/01/655006601.db2.gz DZGMETZFTYNTKL-WDEREUQCSA-N -1 0 382.438 2.743 50 30 GFEARM C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O ZINC000012411097 212095835 /nfs/dbraw/zinc/09/58/35/212095835.db2.gz ZEZIBKVKMLBXNW-VBKFSLOCSA-N -1 0 394.383 2.771 50 30 GFEARM N#Cc1cccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)c1 ZINC000016120850 221357164 /nfs/dbraw/zinc/35/71/64/221357164.db2.gz CDLFBWQMZIHESZ-UHFFFAOYSA-N -1 0 395.234 2.893 50 30 GFEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000017146759 221379474 /nfs/dbraw/zinc/37/94/74/221379474.db2.gz FQJLFIRNGAZTKN-QGZVFWFLSA-N -1 0 396.355 2.648 50 30 GFEARM Cc1nc([N-]S(=O)(=O)c2ccc(F)c(F)c2)n(-c2ccc(C#N)cc2)n1 ZINC000084280419 222313837 /nfs/dbraw/zinc/31/38/37/222313837.db2.gz ZBBZHXVCSUODIV-UHFFFAOYSA-N -1 0 375.360 2.526 50 30 GFEARM CCN1CCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cccnc2)O3)CC1 ZINC000022883079 521686845 /nfs/dbraw/zinc/68/68/45/521686845.db2.gz AOAIJQMCYAJVQM-UNOMPAQXSA-N -1 0 379.460 2.849 50 30 GFEARM COc1cccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(OCC(=O)[O-])cc2)c1 ZINC000004576389 524174025 /nfs/dbraw/zinc/17/40/25/524174025.db2.gz BKQOPOZQZBZWGQ-IBGZPJMESA-N -1 0 397.383 2.648 50 30 GFEARM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000069282497 525906105 /nfs/dbraw/zinc/90/61/05/525906105.db2.gz IJPNKKDZSCZQBA-BDAKNGLRSA-N -1 0 398.300 2.740 50 30 GFEARM N#Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1Cl ZINC000026536297 551121791 /nfs/dbraw/zinc/12/17/91/551121791.db2.gz QQHZHZWQHVVRJG-UHFFFAOYSA-N -1 0 378.841 2.577 50 30 GFEARM C[C@@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000048470210 570252235 /nfs/dbraw/zinc/25/22/35/570252235.db2.gz INKCFVPIFHHFIT-CYBMUJFWSA-N -1 0 377.418 2.708 50 30 GFEARM COc1ccc([N-]S(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)nn1 ZINC000004732544 570399258 /nfs/dbraw/zinc/39/92/58/570399258.db2.gz AMDBSEGWFWMIHT-XDHOZWIPSA-N -1 0 384.417 2.742 50 30 GFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1C(F)(F)F ZINC000136040896 570435324 /nfs/dbraw/zinc/43/53/24/570435324.db2.gz SNJGQVOUELDYGB-ZIAGYGMSSA-N -1 0 395.362 2.581 50 30 GFEARM N#CCOc1ccccc1C1=NO[C@@](CC(=O)[O-])(C(=O)Nc2ccc(F)cc2)C1 ZINC000005483641 570611887 /nfs/dbraw/zinc/61/18/87/570611887.db2.gz QGUQCPHMSBAWKD-FQEVSTJZSA-N -1 0 397.362 2.705 50 30 GFEARM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591352865 600009272 /nfs/dbraw/zinc/00/92/72/600009272.db2.gz KTNHHFCLNPQLOC-GOSISDBHSA-N -1 0 381.388 2.976 50 30 GFEARM